tetramethylammoniumhydroxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 104422-11-9
cas number: 105468-35-7
cas number: 154636-59-6
cas number: 75-59-2
cas number: 129654-61-1
cas number: 78017-87-5
cas number: 93615-68-0
formula: C4H13NO
inchi: InChI=1S/C4H12N.H2O/c1-5(2,3)4;/h1-4H3;1H2/q+1;/p-1
iupac name: tetramethylazanium hydroxide @en
pubchem: 60966
smiles: C[N+](C)(C)C.[OH-]
inchikey: WGTYBPLFGIVFAS-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen

methylcyclopentaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5310-57-6
cas number: 96-37-7
formula: C6H12
inchi: InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
iupac name: Methylcyclopentane @en
pubchem: 7296
smiles: CC1CCCC1
inchikey: GDOPTJXRTPNYNR-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: C1yccC5a

n-pentadecaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 629-62-9
formula: C15H32
inchi: InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
iupac name: Pentadecane @en
pubchem: 12391
smiles: CCCCCCCCCCCCCCC
inchikey: YCOZIPAWZNQLMR-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: NC15a

neodymium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-00-8
cas number: 42320-27-4
cas number: 110123-51-8
formula: Nd
inchi: InChI=1S/Nd
iupac name: NEODYMIUM @en
pubchem: 23934
smiles: [Nd]
inchikey: QEFYFXOXNSNQGX-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Nd

2,2',3,5,5',6-hexachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52663-63-5
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H
iupac name: 1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene @en
pubchem: 40471
inchikey: UHCLFIWDCYOTOL-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB151

2,5-dimethoxy-4-chlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6358-64-1
formula: C8H10ClNO2
inchi: InChI=1S/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3
iupac name: 4-Chloro-2,5-dimethoxyaniline @en
pubchem: 22833
smiles: COC1=CC(=C(C=C1N)OC)Cl
inchikey: YGUFQYGSBVXPMC-UHFFFAOYSA-N
broader: CHEMONTID_0004111
in scheme: Conceptschema Chemische Stoffen

cyclohexadecaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 295-65-8
formula: C16H32
inchi: InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2
iupac name: Cyclohexadecane @en
pubchem: 67526
smiles: C1CCCCCCCCCCCCCCC1
inchikey: JJWIOXUMXIOXQN-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: cycC16a

4-fluoramfetamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 459-02-9
cas number: 459-01-8
formula: C9H13ClFN
inchi: InChI=1S/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H
iupac name: 1-(4-fluorophenyl)propan-2-amine hydrochloride @en
pubchem: 120675
smiles: CC(CC1=CC=C(C=C1)F)N.Cl
inchikey: GKWYMWZWSCKSMT-UHFFFAOYSA-N
broader: CHEMONTID_0000188
in scheme: Conceptschema Chemische Stoffen
notation: 4FamfAe

diethylbutylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 4444-68-2
formula: C8H19N
inchi: InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3
iupac name: N,N-diethylbutan-1-amine @en
pubchem: 20513
smiles: CCCCN(CC)CC
inchikey: ORSUTASIQKBEFU-UHFFFAOYSA-N
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
notation: DC2yC4yAe

1,2,3,7,8,9-hexachloordibenzodioxine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
cas number: 19408-74-3
formula: C12H2Cl6O2
inchi: InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H
iupac name: 1,2,3,7,8,9-hexachlorooxanthrene @en
pubchem: 29575
inchikey: LGIRBUBHIWTVCK-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,7,8,9-hexachloordibenzo-p-dioxine
alternative label: 1,2,3,7,8,9-hexachloordibenzo-para-dioxine
alternative label: 1,2,3,7,8,9-hexachloordibenzodioxine (hxcdd)
broader: CHEMONTID_0000420
in scheme: Conceptschema Chemische Stoffen
notation: PCDD70

cetirizine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 83881-51-0
formula: C21H25ClN2O3
inchi: InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)
iupac name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid @en
pubchem: 2678
inchikey: ZKLPARSLTMPFCP-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: cetrzne

3-broom-1-chloorpropeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3737-00-6
formula: C3H4BrCl
inchi: InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+
iupac name: (E)-3-bromo-1-chloroprop-1-ene @en
pubchem: 6433386
smiles: C(C=CCl)Br
inchikey: AHUWMUAVZFJTOC-HNQUOIGGSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: 3Br1ClC3e

americium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-35-9
cas number: 22541-46-4
formula: Am
inchi: InChI=1S/Am
iupac name: AMERICIUM @en
pubchem: 23966
smiles: [Am]
inchikey: LXQXZNRPTYVCNG-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Am

3-methylacetofenon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 585-74-0
formula: C9H10O
inchi: InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3
iupac name: 1-(3-methylphenyl)ethanone @en
pubchem: 11455
smiles: CC1=CC(=CC=C1)C(=O)C
inchikey: FSPSELPMWGWDRY-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yactfnn

carboxin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 5234-68-4
formula: C12H13NO2S
inchi: InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
iupac name: 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE @en
pubchem: 21307
smiles: CC1=C(SCCO1)C(=O)NC2=CC=CC=C2
inchikey: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: carbOxn

cesium 132
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15758-03-9
formula: Cs
inchi: InChI=1S/Cs/i1-1
iupac name: cesium-132 @en
pubchem: 6337088
smiles: [Cs]
inchikey: TVFDJXOCXUVLDH-BJUDXGSMSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Cs132

alfa-isomethylionon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 127-51-5
formula: C14H22O
inchi: InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9-
iupac name: (Z)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one @en
pubchem: 5356787
smiles: CC1=CCCC(C1C=C(C)C(=O)C)(C)C
inchikey: JRJBVWJSTHECJK-LUAWRHEFSA-N
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: aiC1yionn

bde 153
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68631-49-2
formula: C12H4Br6O
inchi: InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H
iupac name: 1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene @en
pubchem: 155166
inchikey: RZXIRSKYBISPGF-UHFFFAOYSA-N
alternative label: 2,2',4,4',5,5'-hexabroomdifenylether
alternative label: 2,2',4,4',5,5'-hexabroomdifenylether (bde153)
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen
notation: PBDE153

2,4-dimethylpyridine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 108-47-4
formula: C7H9N
inchi: InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3
iupac name: 2,4-Dimethylpyridine @en
pubchem: 7936
smiles: CC1=CC(=NC=C1)C
inchikey: JYYNAJVZFGKDEQ-UHFFFAOYSA-N
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1yprdne

tetrabroombifenol dimethyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 37853-61-5
cas number: 108608-62-4
formula: C17H16Br4O2
inchi: InChI=1S/C17H16Br4O2/c1-17(2,9-5-11(18)15(22-3)12(19)6-9)10-7-13(20)16(23-4)14(21)8-10/h5-8H,1-4H3
iupac name: 1,3-dibromo-5-[2-(3,5-dibromo-4-methoxyphenyl)propan-2-yl]-2-methoxybenzene @en
pubchem: 37841
inchikey: XRQKNNNAKHZPSP-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: TBBPADM

2,3,6-trichlooraniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 88963-39-7
formula: C6H4Cl3N
inchi: InChI=1S/C6H4Cl3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2
iupac name: 2,3,6-trichloroaniline @en
pubchem: 184908
smiles: C1=CC(=C(C(=C1Cl)N)Cl)Cl
inchikey: ZJMMPUVJZQBMEM-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 236TClAn

metazachloor
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 67129-08-2
formula: C14H16ClN3O
inchi: InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3
iupac name: 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide @en
pubchem: 49384
smiles: CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl
inchikey: STEPQTYSZVCJPV-UHFFFAOYSA-N
alternative label: metazachlor
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: mzCl

neptunium 237
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 86954-34-9
cas number: 13994-20-2
formula: Np
inchi: InChI=1S/Np/i1+0
iupac name: neptunium-237 @en
pubchem: 104783
smiles: [Np]
inchikey: LFNLGNPSGWYGGD-IGMARMGPSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Np237

desogestrel
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 54024-22-5
formula: C22H30O
inchi: InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
iupac name: (8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol @en
pubchem: 40973
smiles: CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CCCCC34
inchikey: RPLCPCMSCLEKRS-BPIQYHPVSA-N
broader: CHEMONTID_0001466
in scheme: Conceptschema Chemische Stoffen
notation: desgsl

waterstofcyanide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II Art. 5.20.2.7. 'HCN'
comment: VLAR II bijl. 4.4.2 'cyaanwaterstof'
cas number: 74-90-8
cas number: 341972-31-4
cas number: 191234-22-7
formula: CHN
inchi: InChI=1S/CHN/c1-2/h1H
iupac name: Formonitrile @en
pubchem: 768
smiles: C#N
inchikey: LELOWRISYMNNSU-UHFFFAOYSA-N
is referenced by: LUC III 009
alternative label: waterstofcyanide (HCN)
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: HCN

2,2',3,4,5,5',6-heptachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 52712-05-7
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-4-1-2-6(14)5(3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H
iupac name: 1,2,3,4,5-pentachloro-6-(2,5-dichlorophenyl)benzene @en
pubchem: 40500
inchikey: PYZHTHZEHQHHEN-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB185

1-naftaleensulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68412-23-7
cas number: 25155-19-5
cas number: 85-47-2
cas number: 119020-53-0
cas number: 68153-01-5
formula: C10H8O3S
inchi: InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)
iupac name: naphthalene-1-sulfonic acid @en
pubchem: 6812
smiles: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O
inchikey: PSZYNBSKGUBXEH-UHFFFAOYSA-N
broader: CHEMONTID_0003600
in scheme: Conceptschema Chemische Stoffen
notation: 1Nafsfzr

thiazafluron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25366-23-8
formula: C6H7F3N4OS
inchi: InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)
iupac name: 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea @en
pubchem: 32921
smiles: CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F
inchikey: BBJPZPLAZVZTGR-UHFFFAOYSA-N
broader: CHEMONTID_0004668
in scheme: Conceptschema Chemische Stoffen
notation: thiazfrn

triethylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 121-44-8
cas number: 168277-99-4
cas number: 144514-14-7
cas number: 172227-74-6
formula: C6H15N
inchi: InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
iupac name: N,N-Diethylethanamine @en
pubchem: 8471
smiles: CCN(CC)CC
inchikey: ZMANZCXQSJIPKH-UHFFFAOYSA-N
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
notation: TC2yAe

marbofloxacine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 115550-35-1
formula: C17H19FN4O4
inchi: InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)
iupac name: 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid @en
pubchem: 60651
inchikey: BPFYOAJNDMUVBL-UHFFFAOYSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen

metobromuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3060-89-7
formula: C9H11BrN2O2
inchi: InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
iupac name: 3-(4-Bromophenyl)-1-methoxy-1-methylurea @en
pubchem: 18290
smiles: CN(C(=O)NC1=CC=C(C=C1)Br)OC
inchikey: WLFDQEVORAMCIM-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: metbmrn

2,4-dimethyl-3-pentanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 565-80-0
formula: C7H14O
inchi: InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
iupac name: 2,4-Dimethylpentan-3-one @en
pubchem: 11271
smiles: CC(C)C(=O)C(C)C
inchikey: HXVNBWAKAOHACI-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1yC5on

2-ethyl-anthraquinon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 84-51-5
formula: C16H12O2
inchi: InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3
iupac name: 2-ethylanthracene-9,10-dione @en
pubchem: 6772
smiles: CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
inchikey: SJEBAWHUJDUKQK-UHFFFAOYSA-N
broader: CHEMONTID_0000151
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yatqnn

benzyldimethyltetradecylammoniumchloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68424-85-1
cas number: 50641-12-8
cas number: 68391-01-5
cas number: 77465-44-2
cas number: 113497-04-4
cas number: 124548-64-7
cas number: 139-08-2
cas number: 51931-10-3
cas number: 16287-71-1
formula: C23H42ClN
inchi: InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1
iupac name: benzyl-dimethyl-tetradecylazanium chloride @en
pubchem: 8755
smiles: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
inchikey: OCBHHZMJRVXXQK-UHFFFAOYSA-M
alternative label: C12-C16-alkylbenzyldimethylammoniumchloride
alternative label: c12-c16-alkylbenzyldimethylammoniumchloride
broader: CHEMONTID_0003977
in scheme: Conceptschema Chemische Stoffen
notation: C12C16akbzDC
notation: benzDC1yC14y

ethyleendiaminetetraethaanzuur (edta)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10058-42-1
cas number: 30485-87-1
cas number: 13440-78-3
cas number: 94108-75-5
cas number: 32757-10-1
cas number: 161122-33-4
cas number: 20539-27-9
cas number: 30485-88-2
cas number: 60-00-4
cas number: 26627-46-3
cas number: 30485-90-6
formula: C10H16N2O8
inchi: InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
iupac name: 2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid @en
pubchem: 6049
smiles: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
inchikey: KCXVZYZYPLLWCC-UHFFFAOYSA-N
alternative label: ethyleendiaminetetraethaanzuur (EDTA)
alternative label: ethyleendiaminetetra-azijnzuur
broader: CHEMONTID_0002966
in scheme: Conceptschema Chemische Stoffen
notation: EDTA

dicyclohexyltin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7529-52-4
formula: C12H22Sn
inchi: InChI=1S/2C6H11.Sn/c2*1-2-4-6-5-3-1;/h2*1H,2-6H2;
iupac name: dicyclohexyltin @en
pubchem: 424215
smiles: C1CCC(CC1)[Sn]C2CCCCC2
inchikey: BRCGUTSVMPKEKH-UHFFFAOYSA-N
broader: CHEMONTID_0001524
in scheme: Conceptschema Chemische Stoffen

diquatdibromide-monohydraat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 6385-62-2
formula: C12H14Br2N2O
inchi: InChI=1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2
iupac name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate @en
pubchem: 115268
smiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]
inchikey: KLJOSQAQZMLLMB-UHFFFAOYSA-L
broader: CHEMONTID_0001764
in scheme: Conceptschema Chemische Stoffen
notation: DqDBrH2O

fenpropimorf
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 67564-91-4
cas number: 76492-89-2
formula: C20H33NO
inchi: InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
iupac name: (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine @en
pubchem: 93365
inchikey: RYAUSSKQMZRMAI-ALOPSCKCSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: fenppmf

fluracil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1004-03-1
cas number: 79108-01-3
cas number: 4921-97-5
cas number: 51-21-8
formula: C4H3FN2O2
inchi: InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
iupac name: 5-fluoro-1H-pyrimidine-2,4-dione @en
pubchem: 3385
smiles: C1=C(C(=O)NC(=O)N1)F
inchikey: GHASVSINZRGABV-UHFFFAOYSA-N
broader: CHEMONTID_0001893
in scheme: Conceptschema Chemische Stoffen
notation: flurcl

propineb
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 12071-83-9
formula: C5H8N2S4Zn
inchi: InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2
iupac name: zinc [1-(sulfidocarbothioylamino)propan-2-ylamino]methanedithioate @en
pubchem: 25506
smiles: CC(CN=C(S)[S-])N=C(S)[S-].[Zn+2]
inchikey: KKMLIVYBGSAJPM-UHFFFAOYSA-L
broader: CHEMONTID_0003997
in scheme: Conceptschema Chemische Stoffen
notation: propnb

acibenzolar-S-methyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 135158-54-2
formula: C8H6N2OS2
inchi: InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
iupac name: S-Methyl 1,2,3-benzothiadiazole-7-carbothioate @en
pubchem: 86412
smiles: CSC(=O)C1=C2C(=CC=C1)N=NS2
inchikey: UELITFHSCLAHKR-UHFFFAOYSA-N
alternative label: acibenzolar-s-methyl
broader: CHEMONTID_0002323
in scheme: Conceptschema Chemische Stoffen
notation: acbzlSC1y

cinosulfuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 94593-91-6
formula: C15H19N5O7S
inchi: InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)
iupac name: 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-[2-(2-methoxyethoxy)phenyl]sulfonylurea @en
pubchem: 92420
inchikey: WMLPCIHUFDKWJU-UHFFFAOYSA-N
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: cinsfrn

2,2',3,3',4,4',5,5',6,6'-decachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2051-24-3
formula: C12Cl10
inchi: InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene @en
pubchem: 16318
inchikey: ONXPZLFXDMAPRO-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB209

methyl 14-methylpentadecanoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5129-60-2
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
iupac name: Methyl 14-methylpentadecanoate @en
pubchem: 21205
smiles: CC(C)CCCCCCCCCCCCC(=O)OC
inchikey: WAKCWJNDXBPEBP-UHFFFAOYSA-N
broader: CHEMONTID_0003417
in scheme: Conceptschema Chemische Stoffen
notation: C1y14C1yC15a

kaliumdimethyldithiocarbamaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 81990-01-4
cas number: 128-03-0
formula: C3H6KNS2
inchi: InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
iupac name: potassium dimethylaminomethanedithioate @en
pubchem: 31396
smiles: CN(C)C(=S)[S-].[K+]
inchikey: TVPFLPJBESCUKI-UHFFFAOYSA-M
broader: CHEMONTID_0004099
in scheme: Conceptschema Chemische Stoffen
notation: KDC1yDtocbmt

tin 125
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14683-08-0
formula: Sn
inchi: InChI=1S/Sn/i1+6
iupac name: tin-125 @en
pubchem: 6336618
smiles: [Sn]
inchikey: ATJFFYVFTNAWJD-LZFNBGRKSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Sn125

dibenzo(a,e)pyreen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 192-65-4
formula: C24H14
inchi: InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H
iupac name: hexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-1(22),2,4,6,8,10,12(24),13,15(23),16,18,20-dodecaene @en
pubchem: 9126
inchikey: KGHMWBNEMFNJFZ-UHFFFAOYSA-N
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
notation: DBaeP

1,7-dimethylxanthine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 611-59-6
formula: C7H8N4O2
inchi: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
iupac name: 1,7-dimethyl-3H-purine-2,6-dione @en
pubchem: 4687
smiles: CN1C=NC2=C1C(=O)N(C(=O)N2)C
inchikey: QUNWUDVFRNGTCO-UHFFFAOYSA-N
broader: CHEMONTID_0000247
in scheme: Conceptschema Chemische Stoffen
notation: 17DC1yxtne

dimethachloor
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 55353-08-7
cas number: 50563-36-5
formula: C13H18ClNO2
inchi: InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3
iupac name: 2-Chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide @en
pubchem: 39722
smiles: CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CCl
inchikey: SCCDDNKJYDZXMM-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: DmtCl

cis-8,11,14-eicosatrieenzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1783-84-2
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
iupac name: (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid @en
pubchem: 5280581
smiles: CCCCCC=CCC=CCC=CCCCCCCC(=O)O
inchikey: HOBAELRKJCKHQD-QNEBEIHSSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: c81114C20aTz

technetium 99
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14133-76-7
formula: Tc
inchi: InChI=1S/Tc/i1+1
iupac name: TECHNETIUM @en
pubchem: 26476
smiles: [Tc]
inchikey: GKLVYJBZJHMRIY-OUBTZVSYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Tc99

spiroxamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 118134-30-8
formula: C18H35NO2
inchi: InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
iupac name: N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl)methyl]-N-ethylpropan-1-amine @en
pubchem: 86160
smiles: CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C
inchikey: PUYXTUJWRLOUCW-UHFFFAOYSA-N
broader: CHEMONTID_0004472
in scheme: Conceptschema Chemische Stoffen
notation: spirxmne

ethylcyclopentaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1640-89-7
formula: C7H14
inchi: InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
iupac name: Ethylcyclopentane @en
pubchem: 15431
smiles: CCC1CCCC1
inchikey: IFTRQJLVEBNKJK-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: C2yccC5a

1,3-diacetylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6781-42-6
formula: C10H10O2
inchi: InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3
iupac name: 1-(3-acetylphenyl)ethanone @en
pubchem: 23229
smiles: CC(=O)C1=CC(=CC=C1)C(=O)C
inchikey: VCHOFVSNWYPAEF-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: 13DactBen

tetrahydroftaalimide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1469-48-3
formula: C8H9NO2
inchi: InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+
iupac name: (3aR,7aS)-3a,4,7,7a-tetrahydroisoindole-1,3-dione @en
pubchem: 92888
smiles: C1C=CCC2C1C(=O)NC2=O
inchikey: CIFFBTOJCKSRJY-OLQVQODUSA-N
broader: CHEMONTID_0001820
in scheme: Conceptschema Chemische Stoffen
notation: T4Hflmde

2,2',3,4,4',5',6-heptachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 52663-69-1
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-8(16)3-9(17)11(18)12(10)19/h1-3H
iupac name: 1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenyl)benzene @en
pubchem: 40476
inchikey: KQBFUDNJKCZEDQ-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB183

perfluoroctaansulfonaat, kaliumzout
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 117925-64-1
cas number: 2795-39-3
cas number: 59112-13-9
cas number: 62010-27-9
cas number: 69458-54-4
formula: C8F17KO3S
inchi: InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1
iupac name: potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate @en
pubchem: 76041
inchikey: WFRUBUQWJYMMRQ-UHFFFAOYSA-M
broader: CHEMONTID_0003960
in scheme: Conceptschema Chemische Stoffen
notation: PFOS_K

2,3,4,5-tetrachloorfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4901-51-3
cas number: 25167-83-3
formula: C6H2Cl4O
inchi: InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
iupac name: 2,3,4,5-TETRACHLOROPHENOL @en
pubchem: 21013
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O
inchikey: RULKYXXCCZZKDZ-UHFFFAOYSA-N
broader: CHEMONTID_0002772
in scheme: Conceptschema Chemische Stoffen
notation: 2345T4ClFol

2,4,5-trimethylaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 137-17-7
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3
iupac name: 2,4,5-Trimethylaniline @en
pubchem: 8717
smiles: CC1=CC(=C(C=C1C)N)C
inchikey: BMIPMKQAAJKBKP-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 245TC1yAn

hexahydrohexamethylcyclopentabenzopyran (hhcb)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1222-05-5
cas number: 80450-66-4
formula: C18H26O
inchi: InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
iupac name: 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene @en
pubchem: 91497
smiles: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
inchikey: ONKNPOPIGWHAQC-UHFFFAOYSA-N
alternative label: hexahydrohexamethylcyclopentabenzopyran (HHCB)
broader: CHEMONTID_0003411
in scheme: Conceptschema Chemische Stoffen
notation: HHCB

Perfluoro-n-butaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 375-22-4
formula: C4HF7O2
inchi: InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)
iupac name: 2,2,3,3,4,4,4-heptafluorobutanoic acid @en
pubchem: 9777
smiles: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O
inchikey: YPJUNDFVDDCYIH-UHFFFAOYSA-N
alternative label: perfluor-n-butaanzuur (pfba)
alternative label: perfluor-n-butaanzuur
alternative label: perfluorbutaanzuur (pfba)
alternative label: perfluorbutaanzuur
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFBA

2-methyloctadecaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1560-88-9
formula: C19H40
inchi: InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3
iupac name: 2-METHYLOCTADECANE @en
pubchem: 15264
smiles: CCCCCCCCCCCCCCCCC(C)C
inchikey: KVQVGSDBGJXNGV-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC18a

kopersulfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10124-44-4
cas number: 18939-61-2
cas number: 7758-98-7
cas number: 139939-69-8
formula: CuO4S
inchi: InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
iupac name: Copper sulfate @en
pubchem: 24462
smiles: [O-]S(=O)(=O)[O-].[Cu+2]
inchikey: ARUVKPQLZAKDPS-UHFFFAOYSA-L
broader: CHEMONTID_0000858
in scheme: Conceptschema Chemische Stoffen
notation: CuSO4

flutamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13311-84-7
cas number: 37209-54-4
cas number: 337962-98-8
formula: C11H11F3N2O3
inchi: InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
iupac name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide @en
pubchem: 3397
smiles: CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
inchikey: MKXKFYHWDHIYRV-UHFFFAOYSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: flutmde

ftaalzuuranhydride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 39363-63-8
cas number: 85-44-9
cas number: 68411-80-3
formula: C8H4O3
inchi: InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
iupac name: 2-benzofuran-1,3-dione @en
pubchem: 6811
smiles: C1=CC=C2C(=C1)C(=O)OC2=O
inchikey: LGRFSURHDFAFJT-UHFFFAOYSA-N
broader: CHEMONTID_0001109
in scheme: Conceptschema Chemische Stoffen
notation: ftaalzrahdde

2-hexanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52019-78-0
cas number: 54972-97-3
cas number: 20281-86-1
cas number: 26549-24-6
cas number: 626-93-7
cas number: 69203-06-1
cas number: 37769-60-1
formula: C6H14O
inchi: InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
iupac name: hexan-2-ol @en
pubchem: 12297
smiles: CCCCC(C)O
inchikey: QNVRIHYSUZMSGM-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 2C6ol

benzoylperoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 132323-44-5
cas number: 37370-29-9
cas number: 143928-58-9
cas number: 94-36-0
cas number: 117989-71-6
formula: C14H10O4
inchi: InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
iupac name: benzoyl benzenecarboperoxoate @en
pubchem: 7187
smiles: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
inchikey: OMPJBNCRMGITSC-UHFFFAOYSA-N
broader: CHEMONTID_0004112
in scheme: Conceptschema Chemische Stoffen
notation: benzypO

broomtrichloorethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 127099-33-6
formula: C2H2BrCl3
inchi: InChI=1S/C2H2BrCl3/c3-1-2(4,5)6/h1H2
iupac name: 2-bromo-1,1,1-trichloroethane @en
pubchem: 182782
smiles: C(C(Cl)(Cl)Cl)Br
inchikey: DNYWXJPIRSNXIP-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen

6-allyl-4-methoxy-1,3-benzodioxol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 607-91-0
formula: C11H12O3
inchi: InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
iupac name: 4-methoxy-6-prop-2-enyl-1,3-benzodioxole @en
pubchem: 4276
smiles: COC1=CC(=CC2=C1OCO2)CC=C
inchikey: BNWJOHGLIBDBOB-UHFFFAOYSA-N
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: 6all4C1ox13B

sulfadiazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 68-35-9
cas number: 141582-64-1
formula: C10H10N4O2S
inchi: InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
iupac name: 4-amino-N-pyrimidin-2-ylbenzenesulfonamide @en
pubchem: 5215
smiles: C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
inchikey: SEEPANYCNGTZFQ-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: sulfdazne

chlooroxynil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1891-95-8
formula: C7H3Cl2NO
inchi: InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
iupac name: 3,5-Dichloro-4-hydroxybenzonitrile @en
pubchem: 74685
smiles: C1=C(C=C(C(=C1Cl)O)Cl)C#N
inchikey: YRSSHOVRSMQULE-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: ClOxnl

dihydrosafrol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 94-58-6
formula: C10H12O2
inchi: InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3
iupac name: 5-Propyl-1,3-benzodioxole @en
pubchem: 7197
smiles: CCCC1=CC2=C(C=C1)OCO2
inchikey: MYEIDJPOUKASEC-UHFFFAOYSA-N
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: DHsfl

dimethyldithiocarbamaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 79-45-8
formula: C3H7NS2
inchi: InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)
iupac name: dimethylaminomethanedithioic acid @en
pubchem: 6599
smiles: CN(C)C(=S)S
inchikey: MZGNSEAPZQGJRB-UHFFFAOYSA-N
broader: CHEMONTID_0000004
in scheme: Conceptschema Chemische Stoffen
notation: DC1yDtocbmt

sulcotrion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 99105-77-8
cas number: 114680-61-4
cas number: 123174-48-1
formula: C14H13ClO5S
inchi: InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
iupac name: 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione @en
pubchem: 91760
inchikey: PQTBTIFWAXVEPB-UHFFFAOYSA-N
broader: CHEMONTID_0004673
in scheme: Conceptschema Chemische Stoffen
notation: sulcton

16alfa-ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 24320-06-7
formula: C22H32O3
inchi: InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1
iupac name: (8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one @en
pubchem: 119086
inchikey: IJLXLZGJDSJGIQ-BILPMHSYSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: org2058

(pentabroomfenyl)methylacrylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 59447-55-1
formula: C10H5Br5O2
inchi: InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2
iupac name: (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate @en
pubchem: 101059
smiles: C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
inchikey: GRKDVZMVHOLESV-UHFFFAOYSA-N
broader: CHEMONTID_0001097
in scheme: Conceptschema Chemische Stoffen
notation: PeBrFyC1yacl

europium 154
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15585-10-1
formula: Eu
inchi: InChI=1S/Eu/i1+2
iupac name: europium-154 @en
pubchem: 105012
smiles: [Eu]
inchikey: OGPBJKLSAFTDLK-NJFSPNSNSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Eu154

ijzer 59
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14596-12-4
formula: Fe
inchi: InChI=1S/Fe/i1+3
iupac name: iron-59 @en
pubchem: 104784
smiles: [Fe]
inchikey: XEEYBQQBJWHFJM-AKLPVKDBSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Fe59

4H-cyclopenta(def)fenantreen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 203-64-5
formula: C15H10
inchi: InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2
iupac name: tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene @en
pubchem: 9147
smiles: C1C2=CC=CC3=C2C4=C(C=CC=C41)C=C3
inchikey: RKZDZWJDQTZDLD-UHFFFAOYSA-N
alternative label: 4h-cyclopenta(def)fenantreen
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: 4HccPedefF02

betamethason
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 378-44-9
formula: C22H29FO5
inchi: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
iupac name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 9782
inchikey: UREBDLICKHMUKA-DVTGEIKXSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: betmtsn

hexamethyldisiloxaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 107-46-0
cas number: 9006-65-9
formula: C6H18OSi2
inchi: InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
iupac name: trimethyl-trimethylsilyloxysilane @en
pubchem: 24764
smiles: C[Si](C)(C)O[Si](C)(C)C
inchikey: UQEAIHBTYFGYIE-UHFFFAOYSA-N
broader: CHEMONTID_0003205
in scheme: Conceptschema Chemische Stoffen
notation: HxC1yDslxn

tylosine tartraat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1405-54-5
formula: C50H83NO23
inchi: InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30?,32-,33-,35+,36-,37-,38-,39?,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1
iupac name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde @en
pubchem: 6433274
inchikey: ICVKYYINQHWDLM-YLNALPTESA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: tylsnttt

natriumwaterstofsulfiet
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 57414-01-4
cas number: 89830-27-3
cas number: 91829-63-9
cas number: 7631-90-5
cas number: 69098-86-8
formula: NaO3S-
inchi: InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-2
iupac name: SODIUM SULFITE @en
pubchem: 6398973
smiles: [O-]S(=O)[O-].[Na+]
inchikey: DWAQJAXMDSEUJJ-UHFFFAOYSA-L
broader: CHEMONTID_0000661
in scheme: Conceptschema Chemische Stoffen
notation: NaHSO3

oxcarbamazepine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 28721-07-5
formula: C15H12N2O2
inchi: InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)
iupac name: 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide @en
pubchem: 34312
smiles: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N
inchikey: CTRLABGOLIVAIY-UHFFFAOYSA-N
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: oxcbmzpne

2H,2H,3H,3H-perfluorundecaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 34598-33-9
formula: C11H5F17O2
inchi: InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)
iupac name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid @en
pubchem: 2782413
inchikey: JZRCRCFPVAXHHQ-UHFFFAOYSA-N
alternative label: 2h,2h,3h,3h-perfluorundecaanzuur
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: H-PFUdA
notation: 4H-PFUnDA

endosulfansulfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1031-07-8
cas number: 6749-25-3
cas number: 87695-43-0
formula: C9H6Cl6O4S
inchi: InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
iupac name: 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide @en
pubchem: 13940
inchikey: AAPVQEMYVNZIOO-UHFFFAOYSA-N
broader: CHEMONTID_0001184
in scheme: Conceptschema Chemische Stoffen
notation: endsfSO4

2-methylcyclohexanon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 583-60-8
cas number: 24965-84-2
formula: C7H12O
inchi: InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
iupac name: 2-methylcyclohexan-1-one @en
pubchem: 11419
smiles: CC1CCCCC1=O
inchikey: LFSAPCRASZRSKS-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 007
broader: CHEMONTID_0003487
in scheme: Conceptschema Chemische Stoffen

dimethoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 56833-73-9
cas number: 79956-18-6
cas number: 11003-53-5
cas number: 11096-20-1
cas number: 60-51-5
formula: C5H12NO3PS2
inchi: InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)
iupac name: 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide @en
pubchem: 3082
smiles: CNC(=O)CSP(=S)(OC)OC
inchikey: MCWXGJITAZMZEV-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: Dmtat

4-nonylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 29832-11-9
cas number: 68081-86-7
cas number: 104-40-5
formula: C15H24O
inchi: InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
iupac name: 4-NONYLPHENOL @en
pubchem: 1752
smiles: CCCCCCCCCC1=CC=C(C=C1)O
inchikey: IGFHQQFPSIBGKE-UHFFFAOYSA-N
is referenced by: WAC IV A 005
alternative label: 4-n-nonylfenol
broader: CHEMONTID_0004646
in scheme: Conceptschema Chemische Stoffen
notation: 4C9yFol

magnesiumfosfide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 12057-74-8
formula: Mg3P2
inchi: InChI=1S/3Mg.2P/q3*+2;2*-3
iupac name: trimagnesium phosphorus(-3) anion @en
pubchem: 61546
smiles: [Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]
inchikey: VUBDMGXNLNDGIY-UHFFFAOYSA-N
broader: CHEMONTID_0001270
in scheme: Conceptschema Chemische Stoffen
notation: MgP

2,2',3,3',5,5',6,6'-octachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2136-99-4
formula: C12H2Cl8
inchi: InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
iupac name: 1,2,4,5-tetrachloro-3-(2,3,5,6-tetrachlorophenyl)benzene @en
pubchem: 16495
inchikey: JPOPEORRMSDUIP-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB202

antimoon 124
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 14683-10-4
formula: Sb
inchi: InChI=1S/Sb/i1+2
iupac name: antimony-124 @en
pubchem: 6335510
smiles: [Sb]
inchikey: WATWJIUSRGPENY-NJFSPNSNSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Sb124

fluchloralin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 33245-39-5
formula: C12H13ClF3N3O4
iupac name: N-(2-Chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline @en
pubchem: 36392
smiles: CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
inchikey: MNFMIVVPXOGUMX-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: fluClaln

1,2-dibroom-2,4-dicyanobutaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 35691-65-7
formula: C6H6Br2N2
inchi: InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2
iupac name: 2-BROMO-2-(BROMOMETHYL)PENTANEDINITRILE @en
pubchem: 61948
smiles: C(CC(CBr)(C#N)Br)C#N
inchikey: DHVLDKHFGIVEIP-UHFFFAOYSA-N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: 12DBr24DCNC4

9-octylhexacosaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 55429-83-9
formula: C34H70
iupac name: 9-octylhexacosane @en
pubchem: 296567
smiles: CCCCCCCCCCCCCCCCCC(CCCCCCCC)CCCCCCCC
inchikey: CDTWRIBBCOMBSI-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 9C8yC26a

trifluormethaansulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1493-13-6
cas number: 2794-60-7
formula: C2BaF6O6S2
inchi: InChI=1S/2CHF3O3S.Ba/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
iupac name: barium(+2) cation; trifluoromethanesulfonate @en
pubchem: 76040
smiles: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ba+2]
inchikey: DXJURUJRANOYMX-UHFFFAOYSA-L
broader: CHEMONTID_0004581
in scheme: Conceptschema Chemische Stoffen
notation: TFlC1asfzr

perfluoroctaanzuur, zilver(1plus)zout (1-1)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 335-93-3
formula: C8AgF15O2
inchi: InChI=1S/C8HF15O2.Ag/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1
iupac name: silver 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate @en
pubchem: 71079
inchikey: HXWHIGAHMKKVBV-UHFFFAOYSA-M
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFOA_Ag

triazofos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 24017-47-8
formula: C12H16N3O3PS
inchi: InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
iupac name: diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane @en
pubchem: 32184
smiles: CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2
inchikey: AMFGTOFWMRQMEM-UHFFFAOYSA-N
alternative label: triazophos
broader: CHEMONTID_0003314
in scheme: Conceptschema Chemische Stoffen
notation: Tazfs

maltodextrine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 28823-03-2
cas number: 9050-36-6
cas number: 815-92-9
cas number: 19030-38-7
formula: C6H12O6
inchi: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
iupac name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal @en
pubchem: 107526
smiles: C(C(C(C(C(C=O)O)O)O)O)O
inchikey: GZCGUPFRVQAUEE-SLPGGIOYSA-N
broader: CHEMONTID_0001498
in scheme: Conceptschema Chemische Stoffen
notation: maltdtne

2,3,3',4'-tetrachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 41464-43-1
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-9-5-4-7(6-11(9)15)8-2-1-3-10(14)12(8)16/h1-6H
iupac name: 1,2-dichloro-4-(2,3-dichlorophenyl)benzene @en
pubchem: 38879
inchikey: UNCGJRRROFURDV-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB56

op'dichloordifenyldichloorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 53-19-0
formula: C14H10Cl4
inchi: InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
iupac name: 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene @en
pubchem: 4211
inchikey: JWBOIMRXGHLCPP-UHFFFAOYSA-N
alternative label: 2,4'-dichloordifenyldichloorethaan
alternative label: o,p’-ddd
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 24DDD

1,1,1,2-tetrachloorethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 630-20-6
formula: C2H2Cl4
inchi: InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2
iupac name: 1,1,1,2-TETRACHLOROETHANE @en
pubchem: 12418
smiles: C(C(Cl)(Cl)Cl)Cl
inchikey: QVLAWKAXOMEXPM-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 1112T4ClC2a

strontium 89
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14158-27-1
formula: Sr
inchi: InChI=1S/Sr/i1+1
iupac name: strontium-89 @en
pubchem: 5388880
smiles: [Sr]
inchikey: CIOAGBVUUVVLOB-OUBTZVSYSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Sr89

methylindool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 27323-28-0
formula: C18H18N2
inchi: InChI=1S/2C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-8-4-2-3-5-9(8)10-7/h2*2-6,10H,1H3
iupac name: 2-methyl-1H-indole; 5-methyl-1H-indole @en
pubchem: 33781
smiles: CC1=CC2=C(C=C1)NC=C2.CC1=CC2=CC=CC=C2N1
inchikey: MLPOSYHILZVCJH-UHFFFAOYSA-N
broader: CHEMONTID_0002497
in scheme: Conceptschema Chemische Stoffen
notation: C1yidl

fenaminosulf
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 140-56-7
cas number: 150-70-9
formula: C8H10N3NaO3S
inchi: InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1
iupac name: sodium N-(4-dimethylaminophenyl)iminosulfamate @en
pubchem: 8807
smiles: CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+]
inchikey: IWDQPCIQCXRBQP-UHFFFAOYSA-M
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: fenmnsf

4,4'-methyleenbis(n,n-dimethylaniline)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 30135-64-9
cas number: 101-61-1
formula: C17H22N2
inchi: InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3
iupac name: 4-[(4-dimethylaminophenyl)methyl]-N,N-dimethylaniline @en
pubchem: 7567
smiles: CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
inchikey: JNRLEMMIVRBKJE-UHFFFAOYSA-N
alternative label: 4,4'-methyleenbis(N,N-dimethylaniline)
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 44C1yebNNDC1

2,3-dichloor-1,1,1,2,3-pentafluorpropaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 422-48-0
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-1(6)2(5,7)3(8,9)10/h1H
iupac name: 2,3-DICHLORO-1,1,1,2,3-PENTAFLUOROPROPANE @en
pubchem: 61111
smiles: C(C(C(F)(F)F)(F)Cl)(F)Cl
inchikey: YGFIGGVCQHKDOL-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225ba

cis-5,8,11,14,17-eicosapentaeenzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 25377-48-4
cas number: 10417-94-4
formula: C20H30O2
inchi: InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
iupac name: (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid @en
pubchem: 446284
smiles: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
inchikey: JAZBEHYOTPTENJ-JLNKQSITSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: cC20aPezr

saccharine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 126987-83-5
cas number: 81-07-2
cas number: 474-91-9
cas number: 61255-27-4
formula: C7H5NO3S
inchi: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
iupac name: 1,1-dioxo-1,2-benzothiazol-3-one @en
pubchem: 5143
smiles: C1=CC=C2C(=C1)C(=O)NS2(=O)=O
inchikey: CVHZOJJKTDOEJC-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: saccrne

metham-natrium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 144-54-7
cas number: 6734-80-1
cas number: 137-42-8
formula: C2H4NNaS2
inchi: InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1
iupac name: sodium methylaminomethanedithioate @en
pubchem: 8727
smiles: CN=C(S)[S-].[Na+]
inchikey: AFCCDDWKHLHPDF-UHFFFAOYSA-M
broader: CHEMONTID_0004099
in scheme: Conceptschema Chemische Stoffen
notation: metNa

kobalt 56
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14093-03-9
formula: Co
inchi: InChI=1S/Co/i1-3
iupac name: cobalt-56 @en
pubchem: 166998
smiles: [Co]
inchikey: GUTLYIVDDKVIGB-OIOBTWANSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Co56

simazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 11141-20-1
cas number: 12764-71-5
cas number: 119603-94-0
cas number: 39291-64-0
cas number: 122-34-9
formula: C7H12ClN5
inchi: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
iupac name: 6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine @en
pubchem: 5216
smiles: CCNC1=NC(=NC(=N1)Cl)NCC
inchikey: ODCWYMIRDDJXKW-UHFFFAOYSA-N
broader: CHEMONTID_0004721
in scheme: Conceptschema Chemische Stoffen
notation: simzne

chloordifluormethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 75-45-6
cas number: 134191-96-1
cas number: 73666-77-0
cas number: 191542-01-5
formula: CHClF2
inchi: InChI=1S/CHClF2/c2-1(3)4/h1H
iupac name: chloro-difluoromethane @en
pubchem: 6372
smiles: C(F)(F)Cl
inchikey: VOPWNXZWBYDODV-UHFFFAOYSA-N
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: HCFK22

spiromesifen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 283594-90-1
formula: C23H30O4
inchi: InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3
iupac name: [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate @en
pubchem: 9907412
inchikey: GOLXNESZZPUPJE-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: spirmsfn

5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2-benzofuranon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 19432-05-4
cas number: 15356-74-8
cas number: 17092-92-1
formula: C11H16O2
inchi: InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
iupac name: 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one @en
pubchem: 27209
smiles: CC1(CCCC2(C1=CC(=O)O2)C)C
inchikey: IMKHDCBNRDRUEB-UHFFFAOYSA-N
broader: CHEMONTID_0000301
in scheme: Conceptschema Chemische Stoffen
notation: 5677aT4H447a

tibolon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 5630-53-5
formula: C21H28O2
inchi: InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1
iupac name: (7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 444008
inchikey: WZDGZWOAQTVYBX-XOINTXKNSA-N
broader: CHEMONTID_0001194
in scheme: Conceptschema Chemische Stoffen
notation: tibln

4-hydroxy-2,5,6-trichloorisoftalonitril
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 28343-61-5
formula: C8HCl3N2O
inchi: InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H
iupac name: 2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile @en
pubchem: 34217
smiles: C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O
inchikey: MDQKYGOECVSPIW-UHFFFAOYSA-N
alternative label: 4-hydroxy-2,5,6-trichloroisophthalonitrile
broader: CHEMONTID_0001530
in scheme: Conceptschema Chemische Stoffen
notation: HTI

2,4,7,9-tetramethyl-5-decyn-4,7-diol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 171023-04-4
cas number: 37211-43-1
cas number: 166737-17-3
cas number: 126-86-3
cas number: 8043-35-4
cas number: 61879-19-4
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
iupac name: 2,4,7,9-Tetramethyldec-5-yne-4,7-diol @en
pubchem: 31362
smiles: CC(C)CC(C)(C#CC(C)(CC(C)C)O)O
inchikey: LXOFYPKXCSULTL-UHFFFAOYSA-N
broader: CHEMONTID_0001373
in scheme: Conceptschema Chemische Stoffen
notation: 2479T4C1y5dc

butocarboxim
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 34681-10-2
formula: C7H14N2O2S
inchi: InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5-
iupac name: (3-methylsulfanylbutan-2-ylideneamino) N-methylcarbamate @en
pubchem: 5368008
smiles: CC(C(=NOC(=O)NC)C)SC
inchikey: SFNPDDSJBGRXLW-UITAMQMPSA-N
broader: CHEMONTID_0004752
in scheme: Conceptschema Chemische Stoffen
notation: butcbOxm

aclonifen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 74070-46-5
formula: C12H9ClN2O3
inchi: InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2
iupac name: 2-chloro-6-nitro-3-(phenoxy)aniline @en
pubchem: 92389
smiles: C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl
inchikey: DDBMQDADIHOWIC-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: acnfn

hexachloorbutadieen (hcbd)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 87-68-3
formula: C4Cl6
inchi: InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
iupac name: 1,1,2,3,4,4-hexachlorobuta-1,3-diene @en
pubchem: 6901
smiles: C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl
inchikey: RWNKSTSCBHKHTB-UHFFFAOYSA-N
alternative label: hexachloorbutadieen
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: HxClbtDen

myclobutanil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 96281-50-4
cas number: 88671-89-0
cas number: 154144-93-1
cas number: 205862-69-7
formula: C15H17ClN4
inchi: InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
iupac name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile @en
pubchem: 6336
smiles: CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
inchikey: HZJKXKUJVSEEFU-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: mycbtnl

fosetyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15845-66-6
formula: C2H6O3P+
inchi: InChI=1S/C2H5O3P/c1-2-5-6(3)4/h2H2,1H3/p+1
iupac name: ethoxy-hydroxy-oxophosphanium @en
pubchem: 6328134
smiles: CCO[P+](=O)O
inchikey: ZUNGGJHBMLMRFJ-UHFFFAOYSA-O
broader: CHEMONTID_0000323
in scheme: Conceptschema Chemische Stoffen
notation: fostl

methylcyclohexaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 108-87-2
formula: C7H14
inchi: InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
iupac name: Methylcyclohexane @en
pubchem: 7962
smiles: CC1CCCCC1
inchikey: UAEPNZWRGJTJPN-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: C1yccC6a

3,5-dimethylheptaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 926-82-9
formula: C9H20
inchi: InChI=1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3
iupac name: 3,5-DIMETHYLHEPTANE @en
pubchem: 13558
smiles: CCC(C)CC(C)CC
inchikey: DZJTZGHZAWTWGA-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 35DC1yC5a

propachloor
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1918-16-7
cas number: 63704-81-4
formula: C11H14ClNO
inchi: InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
iupac name: 2-chloro-N-phenyl-N-propan-2-ylacetamide @en
pubchem: 4931
smiles: CC(C)N(C1=CC=CC=C1)C(=O)CCl
inchikey: MFOUDYKPLGXPGO-UHFFFAOYSA-N
alternative label: propachlor
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: propCl

disulfoton-sulfon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2497-06-5
formula: C8H19O4PS3
inchi: InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3
iupac name: diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidenephosphorane @en
pubchem: 17241
smiles: CCOP(=S)(OCC)SCCS(=O)(=O)CC
inchikey: BKVJOVPVLOJPKJ-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: Dsftsfn

2,2,4-trimethyl-1,3-pentaandioldiisobutyraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 6846-50-0
cas number: 53490-81-6
formula: C16H30O4
inchi: InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3
iupac name: [2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate @en
pubchem: 23284
smiles: CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C
inchikey: OMVSWZDEEGIJJI-UHFFFAOYSA-N
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: 224TC1y13C02

alachloorethaansulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 142363-53-9
formula: C14H21NO5S
inchi: InChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)
iupac name: 2-[(2,6-diethylphenyl)-(methoxymethyl)amino]-2-oxoethanesulfonic acid @en
pubchem: 115236
inchikey: UTCJUUGCHWHUNI-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: alClC2asfz

propyl-4-hydroxybenzoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 85403-59-4
cas number: 94-13-3
cas number: 59593-07-6
formula: C10H12O3
inchi: InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
iupac name: Propyl 4-hydroxybenzoate @en
pubchem: 7175
smiles: CCCOC(=O)C1=CC=C(C=C1)O
inchikey: QELSKZZBTMNZEB-UHFFFAOYSA-N
broader: CHEMONTID_0004702
in scheme: Conceptschema Chemische Stoffen
notation: C3y4HOxbzat

3-methylpentaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 105-43-1
cas number: 22160-40-3
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
iupac name: 3-METHYLPENTANOIC ACID @en
pubchem: 7755
smiles: CCC(C)CC(=O)O
inchikey: IGIDLTISMCAULB-UHFFFAOYSA-N
broader: CHEMONTID_0003544
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yC5azr

clothianidine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 205510-92-5
cas number: 210880-92-5
cas number: 205510-53-8
formula: C6H8ClN5O2S
inchi: InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
iupac name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine @en
pubchem: 213027
smiles: CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]
inchikey: PGOOBECODWQEAB-UHFFFAOYSA-N
broader: CHEMONTID_0002635
in scheme: Conceptschema Chemische Stoffen
notation: clotandne

octocrilene
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 149984-83-8
cas number: 6197-30-4
cas number: 80135-31-5
formula: C24H27NO2
inchi: InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3
iupac name: 2-ethylhexyl 2-cyano-3,3-di(phenyl)prop-2-enoate @en
pubchem: 22571
inchikey: FMJSMJQBSVNSBF-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: octclne

cefadroxil
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 50370-12-2
formula: C16H17N3O5S
inchi: InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
iupac name: (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid @en
pubchem: 47965
inchikey: BOEGTKLJZSQCCD-UEKVPHQBSA-N
broader: CHEMONTID_0000173
in scheme: Conceptschema Chemische Stoffen
notation: cefdxl

3-methylbenzaldehyde
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 620-23-5
formula: C8H8O
inchi: InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
iupac name: 3-Methylbenzaldehyde @en
pubchem: 12105
smiles: CC1=CC(=CC=C1)C=O
inchikey: OVWYEQOVUDKZNU-UHFFFAOYSA-N
broader: CHEMONTID_0000321
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yBenAh

dioctyldimethylammoniumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 5538-94-3
formula: C18H40ClN
inchi: InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
iupac name: dimethyl-dioctylazanium chloride @en
pubchem: 62581
smiles: CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]
inchikey: FARBQUXLIQOIDY-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: DODMAC

natriumsulfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68140-10-3
cas number: 68081-98-1
cas number: 1337-28-6
cas number: 67762-51-0
cas number: 15124-09-1
cas number: 7757-82-6
cas number: 68412-82-8
formula: Na2O4S
inchi: InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2
iupac name: Disodium sulfate @en
pubchem: 24436
smiles: [O-]S(=O)(=O)[O-].[Na+].[Na+]
inchikey: PMZURENOXWZQFD-UHFFFAOYSA-L
broader: CHEMONTID_0000660
in scheme: Conceptschema Chemische Stoffen
notation: NaSO4

di-(2-butoxyethyl)ftalaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 117-83-9
formula: C20H30O6
inchi: InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3
iupac name: bis(2-butoxyethyl) benzene-1,2-dicarboxylate @en
pubchem: 8345
smiles: CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC
inchikey: CMCJNODIWQEOAI-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: D2C4oxC2yFt

2,4-dinitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 97-02-9
formula: C6H5N3O4
inchi: InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2
iupac name: 2,4-Dinitroaniline @en
pubchem: 7321
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
inchikey: LXQOQPGNCGEELI-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: 24DNO2An

dimethylformamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 4.4.2 N, N-dimethylformamide
cas number: 15175-77-6
cas number: 15175-63-0
cas number: 114057-15-7
cas number: 33513-42-7
cas number: 68-12-2
formula: C3H7NO
inchi: InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
iupac name: N,N-Dimethylformamide @en
pubchem: 6228
smiles: CN(C)C=O
inchikey: ZMXDDKWLCZADIW-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 010
broader: CHEMONTID_0001664
in scheme: Conceptschema Chemische Stoffen
notation: DC1yfAd

koolstof 13
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14762-74-4
formula: CH4
inchi: InChI=1S/CH4/h1H4/i1+1
iupac name: Carbane-13 @en
pubchem: 105026
smiles: C
inchikey: VNWKTOKETHGBQD-OUBTZVSYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C13

fluoride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 16984-48-8
formula: F-
inchi: InChI=1S/FH/h1H/p-1
iupac name: fluoride @en
pubchem: 28179
smiles: [F-]
inchikey: KRHYYFGTRYWZRS-UHFFFAOYSA-M
is referenced by: CMA 2 II A.14
is referenced by: WAC III C 022
is referenced by: CMA 2 II B.1
is referenced by: CMA 2 I C.1.1
is referenced by: WAC III C 020
is referenced by: CMA 2 I C.1.2
is referenced by: CMA 2 I C
broader: CHEMONTID_0000432
in scheme: Conceptschema Chemische Stoffen
notation: F

natriumdimethyldithiocarbamaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 122544-46-1
cas number: 191490-26-3
cas number: 165724-02-7
cas number: 72140-17-1
cas number: 128-04-1
formula: C3H6NNaS2
inchi: InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
iupac name: sodium dimethylaminomethanedithioate @en
pubchem: 31397
smiles: CN(C)C(=S)[S-].[Na+]
inchikey: VMSRVIHUFHQIAL-UHFFFAOYSA-M
broader: CHEMONTID_0004099
in scheme: Conceptschema Chemische Stoffen
notation: NaDC1yDtocbm

propyleenimine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 18961-44-9
cas number: 59204-10-3
cas number: 18961-45-0
cas number: 75-55-8
formula: C3H7N
inchi: InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3
iupac name: 2-Methylaziridine @en
pubchem: 6377
smiles: CC1CN1
inchikey: OZDGMOYKSFPLSE-UHFFFAOYSA-N
broader: CHEMONTID_0000103
in scheme: Conceptschema Chemische Stoffen
notation: C3yeimne

1-propaanthiol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 107-03-9
cas number: 79869-58-2
cas number: 51285-52-0
formula: C3H8S
inchi: InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
iupac name: Propane-1-thiol @en
pubchem: 7848
smiles: CCCS
inchikey: SUVIGLJNEAMWEG-UHFFFAOYSA-N
broader: CHEMONTID_0001212
in scheme: Conceptschema Chemische Stoffen
notation: 1C3atol

1-methaansulfonyl-4-methylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3185-99-7
formula: C8H10O2S
inchi: InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
iupac name: 1-methyl-4-methylsulfonylbenzene @en
pubchem: 18521
smiles: CC1=CC=C(C=C1)S(=O)(=O)C
inchikey: YYDNBUBMBZRNQQ-UHFFFAOYSA-N
broader: CHEMONTID_0003276
in scheme: Conceptschema Chemische Stoffen
notation: 1C1asfn4C1yB

3,4-dimethylacetofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3637-01-2
formula: C10H12O
inchi: InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3
iupac name: 1-(3,4-dimethylphenyl)ethanone @en
pubchem: 77193
smiles: CC1=C(C=C(C=C1)C(=O)C)C
inchikey: WPRAXAOJIODQJR-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: 34DC1yactfnn

urethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 121382-27-2
cas number: 26680-22-8
cas number: 51-79-6
formula: C3H7NO2
inchi: InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
iupac name: Ethyl carbamate @en
pubchem: 5641
smiles: CCOC(=O)N
inchikey: JOYRKODLDBILNP-UHFFFAOYSA-N
broader: CHEMONTID_0002285
in scheme: Conceptschema Chemische Stoffen
notation: urtn

4-tertiair-octylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 37769-53-2
cas number: 85771-77-3
cas number: 140-66-9
formula: C14H22O
inchi: InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
iupac name: 4-(2,4,4-trimethylpentan-2-yl)phenol @en
pubchem: 8814
smiles: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
inchikey: ISAVYTVYFVQUDY-UHFFFAOYSA-N
alternative label: 4-tert-octylfenol
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 4ttC8yFol

1-aminobutaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 85404-21-3
cas number: 42939-72-0
cas number: 50929-03-8
cas number: 109-73-9
formula: C4H11N
inchi: InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
iupac name: butan-1-amine @en
pubchem: 8007
smiles: CCCCN
inchikey: HQABUPZFAYXKJW-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: 1AoC4a

mancozeb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 12656-69-8
cas number: 172672-41-2
cas number: 8018-01-7
formula: C8H12MnN4S8Zn
inchi: InChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4
iupac name: zinc; manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en
pubchem: 91570
smiles: C(CN=C(S)[S-])N=C(S)[S-].C(CN=C(S)[S-])N=C(S)[S-].[Mn+2].[Zn+2]
inchikey: CHNQZRKUZPNOOH-UHFFFAOYSA-J
broader: CHEMONTID_0004177
in scheme: Conceptschema Chemische Stoffen
notation: manczb

terpinhydraat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2451-01-6
formula: C10H22O3
inchi: InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2
iupac name: 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol hydrate @en
pubchem: 17141
smiles: CC1(CCC(CC1)C(C)(C)O)O.O
inchikey: JGKJMBOJWVAMIJ-UHFFFAOYSA-N
broader: CHEMONTID_0001401
in scheme: Conceptschema Chemische Stoffen
notation: terpihdt

n-decaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
cas number: 73138-29-1
cas number: 124-18-5
cas number: 63335-87-5
formula: C10H22
inchi: InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
iupac name: Decane @en
pubchem: 15600
smiles: CCCCCCCCCC
inchikey: DIOQZVSQGTUSAI-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 006
is referenced by: LUC IV 000
alternative label: decaan
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C10a

mefenacet
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 73250-68-7
formula: C16H14N2O2S
inchi: InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3
iupac name: 2-(1,3-Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide @en
pubchem: 91716
smiles: CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
inchikey: XIGAUIHYSDTJHW-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: mefnct

acetonitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 54841-72-4
cas number: 75-05-8
cas number: 26809-02-9
formula: C2H3N
inchi: InChI=1S/C2H3N/c1-2-3/h1H3
iupac name: Acetonitrile @en
pubchem: 6342
smiles: CC#N
inchikey: WEVYAHXRMPXWCK-UHFFFAOYSA-N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: actntl

dodine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2439-10-3
cas number: 112-65-2
cas number: 51426-08-5
cas number: 15880-99-6
cas number: 96923-04-5
formula: C15H33N3O2
inchi: InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)
iupac name: acetic acid; 2-dodecylguanidine @en
pubchem: 17110
smiles: CCCCCCCCCCCCN=C(N)N.CC(=O)O
inchikey: YIKWKLYQRFRGPM-UHFFFAOYSA-N
broader: CHEMONTID_0000375
in scheme: Conceptschema Chemische Stoffen
notation: dodne

chlooramine-T
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 72793-59-0
cas number: 1576-40-5
cas number: 127-65-1
cas number: 144-86-5
cas number: 75532-46-6
cas number: 8045-11-2
formula: C7H7ClNNaO2S
inchi: InChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1
iupac name: ['sodium chloro-(4-methylphenyl)sulfonylazanide', 'sodium N-chloro-4-methylbenzenesulfonimidate'] @en
pubchem: 3641960
smiles: CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]
inchikey: VDQQXEISLMTGAB-UHFFFAOYSA-N
alternative label: chlooramine-t
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: ClAeT

diaceton-L-sorbose
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 17682-70-1
formula: C12H20O6
inchi: InChI=1S/C12H20O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3
iupac name: (4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)methanol @en
pubchem: 140270
smiles: CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)CO)C
inchikey: GQXSDDHYUVYJCQ-UHFFFAOYSA-N
alternative label: diaceton-l-sorbose
broader: CHEMONTID_0004472
in scheme: Conceptschema Chemische Stoffen
notation: DactLsbse

3,3-dichloor-1,1,1,2,2-pentafluorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 422-56-0
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H
iupac name: 3,3-DICHLORO-1,1,1,2,2-PENTAFLUOROPROPANE @en
pubchem: 61112
smiles: C(C(C(F)(F)F)(F)F)(Cl)Cl
inchikey: COAUHYBSXMIJDK-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225ca

cyclopentaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68476-56-2
cas number: 287-92-3
formula: C5H10
inchi: InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2
iupac name: Cyclopentane @en
pubchem: 9253
smiles: C1CCCC1
inchikey: RGSFGYAAUTVSQA-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: ccC5a

fenthion
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 55-38-9
formula: C10H15O3PS2
inchi: InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
iupac name: dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidenephosphorane @en
pubchem: 3346
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC
inchikey: PNVJTZOFSHSLTO-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: fenton

medroxyprogesteron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 520-85-4
formula: C22H32O3
inchi: InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
iupac name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one @en
pubchem: 10631
inchikey: FRQMUZJSZHZSGN-HBNHAYAOSA-N
broader: CHEMONTID_0001468
in scheme: Conceptschema Chemische Stoffen
notation: medxprgtrn

ethyl ftalyl ethyl glycolaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 84-72-0
formula: C14H16O6
inchi: InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3
iupac name: O1-(2-ethoxy-2-oxoethyl) O2-ethyl benzene-1,2-dicarboxylate @en
pubchem: 6785
smiles: CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC
inchikey: PZBLUWVMZMXIKZ-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: C2yFtyC2ygcl

anthraceen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 120-12-7
formula: C14H10
inchi: InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
iupac name: ANTHRACENE @en
pubchem: 8418
smiles: C1=CC=C2C=C3C=CC=CC3=CC2=C1
inchikey: MWPLVEDNUUSJAV-UHFFFAOYSA-N
is referenced by: LUC VI 001
alternative label: antraceen
broader: CHEMONTID_0000018
in scheme: Conceptschema Chemische Stoffen
notation: Ant

osalmid
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 526-18-1
formula: C13H11NO3
inchi: InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)
iupac name: 2-Hydroxy-N-(4-hydroxyphenyl)benzamide @en
pubchem: 4602
smiles: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O
inchikey: LGCMKPRGGJRYGM-UHFFFAOYSA-N
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: osmd

4-(3,4-dihydro-2,2,4-trimethyl-2h-1-benzopyran-4-yl)fenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 122970-84-7
cas number: 122970-88-1
cas number: 472-41-3
cas number: 122970-82-5
cas number: 35485-38-2
cas number: 122970-86-9
cas number: 122970-81-4
cas number: 122970-85-8
cas number: 122970-87-0
cas number: 56954-97-3
cas number: 122970-83-6
formula: C18H20O2
inchi: InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3
iupac name: 4-(2,2,4-trimethylchroman-4-yl)phenol @en
pubchem: 97788
inchikey: KXYDGGNWZUHESZ-UHFFFAOYSA-N
alternative label: 4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)fenol
broader: CHEMONTID_0002581
in scheme: Conceptschema Chemische Stoffen
notation: 434DH224TC1y

1,4-butaandiol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 732189-03-6
cas number: 28324-25-6
cas number: 110-63-4
formula: C4H10O2
inchi: InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
iupac name: Butane-1,4-diol @en
pubchem: 8064
smiles: C(CCO)CO
inchikey: WERYXYBDKMZEQL-UHFFFAOYSA-N
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
notation: 14C4aDol

2,6,10,14-tetramethylhexadecaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 638-36-8
formula: C20H42
inchi: InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3
iupac name: 2,6,10,14-TETRAMETHYLHEXADECANE @en
pubchem: 12523
smiles: CCC(C)CCCC(C)CCCC(C)CCCC(C)C
inchikey: GGYKPYDKXLHNTI-UHFFFAOYSA-N
broader: CHEMONTID_0001357
in scheme: Conceptschema Chemische Stoffen
notation: 261014T4C102

3,3',4,5-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 70362-49-1
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-9-3-1-2-7(4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
iupac name: 1,2,3-trichloro-5-(3-chlorophenyl)benzene @en
pubchem: 63101
inchikey: SXFLURRQRFKBNN-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB78

undecaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1120-21-4
cas number: 61193-21-3
formula: C11H24
inchi: InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
iupac name: Undecane @en
pubchem: 14257
smiles: CCCCCCCCCCC
inchikey: RSJKGSCJYJTIGS-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C11a

perfenazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 58-39-9
formula: C21H26ClN3OS
inchi: InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
iupac name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol @en
pubchem: 4748
inchikey: RGCVKNLCSQQDEP-UHFFFAOYSA-N
broader: CHEMONTID_0000310
in scheme: Conceptschema Chemische Stoffen
notation: perfazne

2-nitroaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 88-74-4
formula: C6H6N2O2
inchi: InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
iupac name: 2-Nitroaniline @en
pubchem: 6946
smiles: C1=CC=C(C(=C1)N)[N+](=O)[O-]
inchikey: DPJCXCZTLWNFOH-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 2NO2An

5-methyldecaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13151-35-4
formula: C11H24
inchi: InChI=1S/C11H24/c1-4-6-8-10-11(3)9-7-5-2/h11H,4-10H2,1-3H3
iupac name: 5-Methyldecane @en
pubchem: 93071
smiles: CCCCCC(C)CCCC
inchikey: QUYFPNWYGLFQQU-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 5C1yC10a

nabam
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 111-54-6
cas number: 142-59-6
formula: C4H6N2Na2S4
inchi: InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2
iupac name: disodium [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en
pubchem: 8891
smiles: C(CN=C(S)[S-])N=C(S)[S-].[Na+].[Na+]
inchikey: UQJQVUOTMVCFHX-UHFFFAOYSA-L
alternative label: ethyleenbisdithiocarbamaat
broader: CHEMONTID_0004099
in scheme: Conceptschema Chemische Stoffen
notation: C2yebDtocbmt
notation: nabm

2-aminobenzothiazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 120045-46-7
cas number: 35858-53-8
cas number: 136-95-8
formula: C7H6N2S
inchi: InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
iupac name: 1,3-benzothiazol-2-amine @en
pubchem: 8706
smiles: C1=CC=C2C(=C1)N=C(S2)N
inchikey: UHGULLIUJBCTEF-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 2Aobztzl

dioctylftalaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 117-84-0
cas number: 68515-43-5
cas number: 8031-29-6
formula: C24H38O4
inchi: InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
iupac name: dioctyl benzene-1,2-dicarboxylate @en
pubchem: 8346
smiles: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
inchikey: MQIUGAXCHLFZKX-UHFFFAOYSA-N
alternative label: di-n-octylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC8yFt

sulfapyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 144-83-2
formula: C11H11N3O2S
inchi: InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
iupac name: 4-amino-N-pyridin-2-ylbenzenesulfonamide @en
pubchem: 5336
smiles: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
inchikey: GECHUMIMRBOMGK-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: sulfprdne

1,2-dibroomethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 106-93-4
cas number: 624-61-3
cas number: 8003-07-4
formula: C2H4Br2
inchi: InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
iupac name: ['1,2-dibromoethyne', '1,2-Dibromoethane'] @en
pubchem: 7839
smiles: C(CBr)Br
inchikey: PAAZPARNPHGIKF-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 002
broader: CHEMONTID_0001515
in scheme: Conceptschema Chemische Stoffen
notation: 12DBrC2a

boor
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7440-42-8
formula: B
inchi: InChI=1S/B
iupac name: Boron @en
pubchem: 5462311
smiles: [B]
inchikey: ZOXJGFHDIHLPTG-UHFFFAOYSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: B

nefazodone
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 83366-66-9
formula: C25H32ClN5O2
inchi: InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
iupac name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one @en
pubchem: 4449
inchikey: VRBKIVRKKCLPHA-UHFFFAOYSA-N
broader: CHEMONTID_0001984
in scheme: Conceptschema Chemische Stoffen
notation: nefzdne

hexamethyleentetramine (Urotropine)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 56549-34-9
cas number: 100-97-0
cas number: 15978-33-3
cas number: 24911-88-4
cas number: 74734-16-0
cas number: 11103-67-6
cas number: 91773-48-7
formula: C6H12N4
inchi: InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
iupac name: 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane @en
pubchem: 4101
smiles: C1N2CN3CN1CN(C2)C3
inchikey: VKYKSIONXSXAKP-UHFFFAOYSA-N
broader: CHEMONTID_0002798
in scheme: Conceptschema Chemische Stoffen
notation: HxC1yeT4Ae

fentinacetaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 900-95-8
formula: 0
inchi: InChI=1S/3C6H5.C2H3O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3;
iupac name: tri(phenyl)stannyl acetate @en
smiles: 0
inchikey: KFSLACSYHBJOPS-UHFFFAOYSA-N
alternative label: trifenyltinacetaat
in scheme: Conceptschema Chemische Stoffen
notation: fentactt

prothiofos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 34643-46-4
cas number: 64772-54-9
formula: C11H15Cl2O2PS2
iupac name: (2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidenephosphorane @en
pubchem: 36870
smiles: CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
inchikey: FITIWKDOCAUBQD-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: protofs

quinmerac
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 90717-03-6
formula: C11H8ClNO2
inchi: InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)
iupac name: 7-Chloro-3-methylquinoline-8-carboxylic acid @en
pubchem: 91749
smiles: CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1
inchikey: ALZOLUNSQWINIR-UHFFFAOYSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: quinmrc

brodifacum
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 56073-10-0
cas number: 80449-88-3
formula: C31H23BrO3
inchi: InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2
iupac name: 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one @en
pubchem: 41736
inchikey: LNDUTAIPEYOCDF-UHFFFAOYSA-N
broader: CHEMONTID_0002044
in scheme: Conceptschema Chemische Stoffen
notation: brodfcm

indoxacarb (S-isomeer)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 174060-41-4
cas number: 173584-44-6
formula: C22H17ClF3N3O7
iupac name: methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[3,2-e][1,3,4]oxadiazine-4a-carboxylate @en
pubchem: 107720
inchikey: VBCVPMMZEGZULK-NRFANRHFSA-N
alternative label: indoxacarb (s-isomeer)
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
notation: indxcb

methopreen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 40596-69-8
cas number: 52020-07-2
cas number: 208035-61-4
cas number: 36557-27-4
cas number: 208035-62-5
cas number: 41205-06-5
cas number: 65733-16-6
cas number: 134678-54-9
formula: C19H34O3
inchi: InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+
iupac name: ['propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate', 'propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate'] @en
pubchem: 5366546
smiles: CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC
inchikey: NFGXHKASABOEEW-LDRANXPESA-N
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: metpn

2,6-dichlooraniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 608-31-1
cas number: 51225-19-5
formula: C6H5Cl2N
inchi: InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
iupac name: 2,6-DICHLOROANILINE @en
pubchem: 11846
smiles: C1=CC(=C(C(=C1)Cl)N)Cl
inchikey: JDMFXJULNGEPOI-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 26DClAn

imazalil
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 35554-44-0
formula: C14H14Cl2N2O
inchi: InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
iupac name: 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole @en
pubchem: 37175
smiles: C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
inchikey: PZBPKYOVPCNPJY-UHFFFAOYSA-N
broader: CHEMONTID_0002542
in scheme: Conceptschema Chemische Stoffen
notation: imzll

cilazapril
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 88768-40-5
cas number: 92077-78-6
formula: C22H33N3O6
inchi: InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1
iupac name: (1S,9S)-9-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid hydrate @en
pubchem: 56329
inchikey: JQRZBPFGBRIWSN-YOTVLOEGSA-N
broader: CHEMONTID_0004830
in scheme: Conceptschema Chemische Stoffen
notation: cilzpl

heptafluorpropyl 1,2,2,2-tetrafluorethylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3330-15-2
formula: C5HF11O
inchi: InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H
iupac name: 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane @en
pubchem: 94258
smiles: C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
inchikey: CUTPKDUMZWIJKT-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: F7C3yF4C2yEt

2-ethylpyrazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1392-50-3
cas number: 13925-00-3
formula: C6H8N2
inchi: InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
iupac name: 2-ETHYLPYRAZINE @en
pubchem: 26331
smiles: CCC1=NC=CN=C1
inchikey: KVFIJIWMDBAGDP-UHFFFAOYSA-N
broader: CHEMONTID_0000067
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yprzne

triton X-100
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 81398-86-9
cas number: 13463-07-5
cas number: 9077-65-0
cas number: 39409-11-5
cas number: 2315-67-5
cas number: 111287-03-7
cas number: 9010-43-9
cas number: 66057-82-7
cas number: 66057-69-0
cas number: 9010-42-8
cas number: 9002-93-1
cas number: 63869-93-2
cas number: 125692-92-4
cas number: 66057-68-9
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3
iupac name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol @en
pubchem: 5590
smiles: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO
inchikey: JYCQQPHGFMYQCF-UHFFFAOYSA-N
alternative label: triton x-100
alternative label: octoxynol-1
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: octxnl1
notation: tritx100

acetaldehyde
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 75-07-0
formula: C2H4O
inchi: InChI=1S/C2H4O/c1-2-3/h2H,1H3
iupac name: acetaldehyde @en
pubchem: 177
smiles: CC=O
inchikey: IKHGUXGNUITLKF-UHFFFAOYSA-N
alternative label: ethanal
broader: CHEMONTID_0002230
in scheme: Conceptschema Chemische Stoffen
notation: C2al

cis-nonachloor
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 29555-44-0
cas number: 39765-80-5
cas number: 3734-49-4
cas number: 24143-69-9
cas number: 5103-73-1
formula: C10H5Cl9
inchi: InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H
iupac name: 1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene @en
pubchem: 19520
inchikey: OCHOKXCPKDPNQU-UHFFFAOYSA-N
alternative label: trans-nonachloor
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: tNnCl
notation: cNnCl

C.I. Food Red 5
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7481-49-4
cas number: 64553-71-5
cas number: 3761-53-3
formula: C18H14N2Na2O7S2
inchi: InChI=1S/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-9-13(28(22,23)24)5-4-12(14)8-16(18(17)21)29(25,26)27;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-17+;;
iupac name: disodium (4E)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,6-disulfonate @en
pubchem: 6321395
inchikey: OIQRYZXXBZHDRY-NNIZZXHBSA-L
alternative label: c.i. food red 5
in scheme: Conceptschema Chemische Stoffen
notation: cifrd5

hydrazinesulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10034-93-2
cas number: 13464-80-7
cas number: 1184-66-3
cas number: 95416-15-2
formula: H6N2O4S
inchi: InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)
iupac name: hydrazine; sulfuric acid @en
pubchem: 24842
smiles: NN.OS(=O)(=O)O
inchikey: ZGCHATBSUIJLRL-UHFFFAOYSA-N
broader: CHEMONTID_0001077
in scheme: Conceptschema Chemische Stoffen
notation: hydznSO4

1,2-propyleenglycol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4254-16-4
cas number: 4254-15-3
cas number: 190913-75-8
cas number: 57-55-6
cas number: 63625-56-9
formula: C3H8O2
inchi: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
iupac name: PROPANE-1,2-DIOL @en
pubchem: 1030
smiles: CC(CO)O
inchikey: DNIAPMSPPWPWGF-UHFFFAOYSA-N
broader: CHEMONTID_0002467
in scheme: Conceptschema Chemische Stoffen
notation: 12C3yegcl

pentatriacontaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 630-07-9
formula: C35H72
iupac name: Pentatriacontane @en
pubchem: 12413
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: VHQQPFLOGSTQPC-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C35a

chloorthal-dimethyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 87209-56-1
cas number: 65862-98-8
cas number: 1861-32-1
formula: C10H6Cl4O4
inchi: InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3
iupac name: Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate @en
pubchem: 2943
inchikey: NPOJQCVWMSKXDN-UHFFFAOYSA-N
broader: CHEMONTID_0004012
in scheme: Conceptschema Chemische Stoffen
notation: cltDC1y

1,3,5-tribroom-2-(2,3-dibroom-2-methylpropoxy)benzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 36065-30-2
formula: C10H9Br5O
inchi: InChI=1S/C10H9Br5O/c1-10(15,4-11)5-16-9-7(13)2-6(12)3-8(9)14/h2-3H,4-5H2,1H3
iupac name: 1,3,5-Tribromo-2-(2,3-dibromo-2-methylpropoxy)benzene @en
pubchem: 118274
smiles: CC(COC1=C(C=C(C=C1Br)Br)Br)(CBr)Br
inchikey: WNMLTOIDDCEBNY-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: 135TBr223DBr

fosalon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2310-17-0
cas number: 29562-46-7
cas number: 54182-71-7
cas number: 11129-09-2
formula: C12H15ClNO4PS2
iupac name: 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one @en
pubchem: 4793
smiles: CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O
inchikey: IOUNQDKNJZEDEP-UHFFFAOYSA-N
broader: CHEMONTID_0001973
in scheme: Conceptschema Chemische Stoffen
notation: fosln

2-butanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
cas number: 4221-99-2
cas number: 15892-23-6
cas number: 78-92-2
formula: C4H10O
inchi: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
iupac name: Butan-2-ol @en
pubchem: 6568
smiles: CCC(C)O
inchikey: BTANRVKWQNVYAZ-UHFFFAOYSA-N
is referenced by: LUC IV 009
is referenced by: LUC IV 000
is referenced by: LUC IV 012
alternative label: s-butanol
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 2C4ol

carpropamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 104030-54-8
formula: C15H18Cl3NO
inchi: InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)
iupac name: 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide @en
pubchem: 153847
inchikey: RXDMAYSSBPYBFW-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: carppAd

spirodiclofen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 148477-71-8
formula: C21H24Cl2O4
inchi: InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
iupac name: [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate @en
pubchem: 177863
inchikey: DTDSAWVUFPGDMX-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: spirdcfn

diclobutrazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 75432-64-3
cas number: 66345-62-8
cas number: 75736-33-3
cas number: 83940-00-5
formula: C15H19Cl2N3O
inchi: InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3
iupac name: 1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol @en
pubchem: 53309
inchikey: URDNHJIVMYZFRT-UHFFFAOYSA-N
broader: CHEMONTID_0000188
in scheme: Conceptschema Chemische Stoffen
notation: Dcbtzl

chloorsulfuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 64902-72-3
cas number: 79793-04-7
cas number: 112143-77-8
formula: C12H12ClN5O4S
iupac name: 1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea @en
pubchem: 47491
inchikey: VJYIFXVZLXQVHO-UHFFFAOYSA-N
broader: CHEMONTID_0004706
in scheme: Conceptschema Chemische Stoffen
notation: Clsfrn

6-chloor-2,4-dinitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3531-19-9
formula: C6H4ClN3O4
inchi: InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2
iupac name: 2-Chloro-4,6-dinitroaniline @en
pubchem: 19052
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-]
inchikey: LHRIICYSGQGXSX-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: 6Cl24DNO2An

bifenazaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 149877-41-8
formula: C17H20N2O3
inchi: InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)
iupac name: propan-2-yl N-[(2-methoxy-5-phenylphenyl)amino]carbamate @en
pubchem: 176879
inchikey: VHLKTXFWDRXILV-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: bifnzt

methylkwik
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 22967-92-6
formula: CH3Hg+
inchi: InChI=1S/CH3.Hg/h1H3;/q;+1
iupac name: Methylmercury @en
pubchem: 6860
smiles: C[Hg+]
inchikey: DBUXSCUEGJMZAE-UHFFFAOYSA-N
broader: CHEMONTID_0004443
in scheme: Conceptschema Chemische Stoffen
notation: C1yHg

2,5-xylidine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 95-78-3
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3
iupac name: 2,5-Dimethylaniline @en
pubchem: 7259
smiles: CC1=CC(=C(C=C1)C)N
inchikey: VOWZNBNDMFLQGM-UHFFFAOYSA-N
broader: CHEMONTID_0004211
in scheme: Conceptschema Chemische Stoffen
notation: 25xyldne

oxypurinol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2465-59-0
formula: C5H4N4O2
inchi: InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
iupac name: 1,2-dihydropyrazolo[4,3-e]pyrimidine-4,6-dione @en
pubchem: 4644
smiles: C1=C2C(=NC(=O)NC2=O)NN1
inchikey: HXNFUBHNUDHIGC-UHFFFAOYSA-N
broader: CHEMONTID_0000247
in scheme: Conceptschema Chemische Stoffen
notation: Oxprnl

deuterium oxide (zwaar water)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 156428-50-1
cas number: 39388-36-8
cas number: 7789-20-0
formula: H2O
inchi: InChI=1S/H2O/h1H2/i/hD2
iupac name: deuterated water @en
pubchem: 24602
smiles: O
inchikey: XLYOFNOQVPJJNP-ZSJDYOACSA-N
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen
notation: D2O

tricosaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 93966-37-1
cas number: 98978-62-2
cas number: 2433-96-7
cas number: 94087-10-2
formula: C23H46O2
iupac name: TRICOSANOIC ACID @en
pubchem: 17085
smiles: CCCCCCCCCCCCCCCCCCCCCCC(=O)O
inchikey: XEZVDURJDFGERA-UHFFFAOYSA-N
broader: CHEMONTID_0002950
in scheme: Conceptschema Chemische Stoffen
notation: C23azr

2,3,6-trimethylheptaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4032-93-3
formula: C10H22
inchi: InChI=1S/C10H22/c1-8(2)6-7-10(5)9(3)4/h8-10H,6-7H2,1-5H3
iupac name: 2,3,6-TRIMETHYLHEPTANE @en
pubchem: 19944
smiles: CC(C)CCC(C)C(C)C
inchikey: IHPXJGBVRWFEJB-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 236TC1yC7a

metiram
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 9006-42-2
cas number: 12122-67-7
formula: C4H6N2S4Zn
inchi: InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
iupac name: zinc [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en
pubchem: 8873
smiles: C(CN=C(S)[S-])N=C(S)[S-].[Zn+2]
inchikey: AMHNZOICSMBGDH-UHFFFAOYSA-L
alternative label: zineb
broader: CHEMONTID_0004306
in scheme: Conceptschema Chemische Stoffen
notation: metrm
notation: zinb

17-beta-estradiol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 50-28-2
cas number: 73459-61-7
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
iupac name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol @en
pubchem: 5757
smiles: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
inchikey: VOXZDWNPVJITMN-ZBRFXRBCSA-N
alternative label: 17beta-estradiol
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
notation: 17bestDol

natrium-ortho-fenylfenaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 132-27-4
cas number: 6152-33-6
formula: C12H9NaO
inchi: InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1
iupac name: sodium 2-phenylphenolate @en
pubchem: 8587
smiles: C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]
inchikey: KSQXVLVXUFHGJQ-UHFFFAOYSA-M
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: NaoFyfnt

1-methyl-4-(4-methylbenzeensulfonyl) benzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 599-66-6
formula: C14H14O2S
inchi: InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
iupac name: 1-methyl-4-(4-methylphenyl)sulfonylbenzene @en
pubchem: 69030
smiles: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C
inchikey: WEAYCYAIVOIUMG-UHFFFAOYSA-N
broader: CHEMONTID_0003276
in scheme: Conceptschema Chemische Stoffen
notation: 1C1y44C1yBen

2,2',3,3',4,4',5-heptachloorbifenyl (pcb170)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 35065-30-6
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H
iupac name: 1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene @en
pubchem: 37037
inchikey: RMPWIIKNWPVWNG-UHFFFAOYSA-N
alternative label: 2,2',3,3',4,4',5-heptachloorbifenyl
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB170

desmetryn
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1014-69-3
formula: C8H15N5S
inchi: InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)
iupac name: N'-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
pubchem: 13904
smiles: CC(C)NC1=NC(=NC(=N1)NC)SC
inchikey: HCRWJJJUKUVORR-UHFFFAOYSA-N
broader: CHEMONTID_0004735
in scheme: Conceptschema Chemische Stoffen
notation: desmtn

bde 100
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 189084-64-8
formula: C12H5Br5O
inchi: InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H
iupac name: 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene @en
pubchem: 154083
inchikey: NSKIRYMHNFTRLR-UHFFFAOYSA-N
alternative label: 2,2',4,4',6-pentabroomdifenylether (bde100)
alternative label: 2,2',4,4',6-pentabroomdifenylether
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen
notation: PBDE100

2,3-dichloorpropeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 78-88-6
formula: C3H4Cl2
inchi: InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2
iupac name: 2,3-dichloroprop-1-ene @en
pubchem: 6565
smiles: C=C(CCl)Cl
inchikey: FALCMQXTWHPRIH-UHFFFAOYSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: 23DClC3e

prothioconazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 178928-70-6
formula: C14H15Cl2N3OS
iupac name: 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione @en
pubchem: 6451142
inchikey: MNHVNIJQQRJYDH-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: protocnzl

lutetium 177
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14265-75-9
formula: Lu
inchi: InChI=1S/Lu/i1+2
iupac name: lutetium-177 @en
pubchem: 161046
smiles: [Lu]
inchikey: OHSVLFRHMCKCQY-NJFSPNSNSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Lu177

n-ethylperfluor-n-octaansulfonamido-azijnzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1336-61-4
cas number: 2991-50-6
formula: C12H8F17NO4S
inchi: InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)
iupac name: 2-(ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino)acetic acid @en
pubchem: 18134
inchikey: CKRXVVGETMYFIO-UHFFFAOYSA-N
alternative label: perfluoroctaansulfonylamide(N-ethyl)azijnzuur
alternative label: N-ethylperfluoroctaansulfonamido-azijnzuur
alternative label: n-ethylperfluoroctaansulfonamidoazijnzuur
alternative label: n-ethylperfluor-n-octaansulfonamido-azijnzuur (etpfosaa)
broader: CHEMONTID_0003960
in scheme: Conceptschema Chemische Stoffen
notation: EtPFOSAA
notation: EtFOSAA

1-(2-butoxyethoxy)-ethanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 54446-78-5
formula: C8H18O3
inchi: InChI=1S/C8H18O3/c1-3-4-5-10-6-7-11-8(2)9/h8-9H,3-7H2,1-2H3
iupac name: 1-(2-BUTOXYETHOXY)ETHANOL @en
pubchem: 41088
smiles: CCCCOCCOC(C)O
inchikey: ZNQOETZUGRUONW-UHFFFAOYSA-N
broader: CHEMONTID_0001092
in scheme: Conceptschema Chemische Stoffen
notation: 12C4oxC2oxC2

bismuth 206
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15776-19-9
formula: Bi
inchi: InChI=1S/Bi/i1-3
iupac name: bismuth-206 @en
pubchem: 6336623
smiles: [Bi]
inchikey: JCXGWMGPZLAOME-OIOBTWANSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Bi206

nicotine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 54-11-5
formula: C10H14N2
inchi: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
iupac name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine @en
pubchem: 89594
smiles: CN1CCCC1C2=CN=CC=C2
inchikey: SNICXCGAKADSCV-JTQLQIEISA-N
broader: CHEMONTID_0001975
in scheme: Conceptschema Chemische Stoffen
notation: nictne

butylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2008-41-5
formula: C11H23NOS
inchi: InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
iupac name: S-ethyl (bis(2-methylpropyl)amino)methanethioate @en
pubchem: 16181
smiles: CCSC(=O)N(CC(C)C)CC(C)C
inchikey: BMTAFVWTTFSTOG-UHFFFAOYSA-N
broader: CHEMONTID_0001368
in scheme: Conceptschema Chemische Stoffen
notation: C4yat

flupentixol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2709-56-0
cas number: 53772-82-0
formula: C23H25F3N2OS
inchi: InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
iupac name: 2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol @en
pubchem: 5281881
inchikey: NJMYODHXAKYRHW-DVZOWYKESA-N
broader: CHEMONTID_0000199
in scheme: Conceptschema Chemische Stoffen
notation: fluptxl

chloormethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2108-20-5
cas number: 74-87-3
formula: CH3Cl
inchi: InChI=1S/CH3Cl/c1-2/h1H3
iupac name: Chloromethane @en
pubchem: 6327
smiles: CCl
inchikey: NEHMKBQYUWJMIP-UHFFFAOYSA-N
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: ClC1a

hydroxyzine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68-88-2
formula: C21H27ClN2O2
inchi: InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
iupac name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol @en
pubchem: 3658
inchikey: ZQDWXGKKHFNSQK-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: Hoxzne

fytol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5016-81-9
cas number: 7541-49-3
cas number: 150-86-7
formula: C20H40O
inchi: InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
iupac name: (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol @en
pubchem: 5280435
smiles: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
inchikey: BOTWFXYSPFMFNR-PYDDKJGSSA-N
broader: CHEMONTID_0001357
in scheme: Conceptschema Chemische Stoffen
notation: fytl

lood 212
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 18879-28-2
cas number: 15092-94-1
formula: Pb
inchi: InChI=1S/Pb/i1+5
iupac name: lead-212 @en
pubchem: 6335491
smiles: [Pb]
inchikey: WABPQHHGFIMREM-BKFZFHPZSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Pb212

mepronil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55814-41-0
formula: C17H19NO2
inchi: InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)
iupac name: 2-methyl-N-(3-propan-2-yloxyphenyl)benzamide @en
pubchem: 41632
smiles: CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C
inchikey: BCTQJXQXJVLSIG-UHFFFAOYSA-N
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: mepnl

dinatriumoctaboraat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 12008-41-2
cas number: 12280-03-4
formula: B8H8Na2O28-22
inchi: InChI=1S/8BO3.2Na.4H2O/c8*2-1(3)4;;;;;;/h;;;;;;;;;;4*1H2/q8*-3;2*+1;;;;
iupac name: Disodium octaborate tetrahydrate @en
pubchem: 16204498
smiles: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].O.O.O.O.[Na+].[Na+]
inchikey: RHSGYAYYVYMXIF-UHFFFAOYSA-N
broader: CHEMONTID_0000895
in scheme: Conceptschema Chemische Stoffen
notation: Na2B8O13

2,4-xylenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 105-67-9
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
iupac name: 2,4-Dimethylphenol @en
pubchem: 7771
smiles: CC1=CC(=C(C=C1)O)C
inchikey: KUFFULVDNCHOFZ-UHFFFAOYSA-N
alternative label: 2,4-dimethylfenol
broader: CHEMONTID_0004212
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1yFol

mesityloxide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 141-79-7
formula: C6H10O
inchi: InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
iupac name: 4-Methylpent-3-en-2-one @en
pubchem: 8858
smiles: CC(=CC(=O)C)C
inchikey: SHOJXDKTYKFBRD-UHFFFAOYSA-N
broader: CHEMONTID_0001363
in scheme: Conceptschema Chemische Stoffen
notation: mestoxde

natriumaluminaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 162264-71-3
cas number: 7758-17-0
cas number: 12393-50-9
cas number: 12598-12-8
cas number: 180395-80-6
cas number: 1302-42-7
cas number: 11138-49-1
formula: AlNaO2
inchi: InChI=1S/Al.Na.2O/q-1;+1;;
iupac name: sodium;dioxoalumanuide @en
pubchem: 14766
smiles: O=[Al-]=O.[Na+]
inchikey: IYJYQHRNMMNLRH-UHFFFAOYSA-N
broader: CHEMONTID_0000530
in scheme: Conceptschema Chemische Stoffen
notation: Naalmnt

trichlofenidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 53720-80-2
formula: C16H13Cl5N2
inchi: InChI=1S/C16H13Cl5N2/c17-11-3-1-5-13(9-11)22-7-8-23(15(22)16(19,20)21)14-6-2-4-12(18)10-14/h1-6,9-10,15H,7-8H2
iupac name: 1,3-Bis(3-chlorophenyl)-2-(trichloromethyl)imidazolidine @en
pubchem: 93289
inchikey: NFQIYHPAGNZAOO-UHFFFAOYSA-N
broader: CHEMONTID_0002547
in scheme: Conceptschema Chemische Stoffen
notation: Tcfndne

2,6-difluorbenzamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 18063-03-1
formula: C7H5F2NO
inchi: InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
iupac name: 2,6-Difluorobenzamide @en
pubchem: 87439
smiles: C1=CC(=C(C(=C1)F)C(=O)N)F
inchikey: AVRQBXVUUXHRMY-UHFFFAOYSA-N
broader: CHEMONTID_0003098
in scheme: Conceptschema Chemische Stoffen
notation: 26DFBenAd

limoneen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7705-14-8
cas number: 7721-11-1
cas number: 65996-98-7
cas number: 6876-12-6
cas number: 8022-90-0
cas number: 9003-73-0
cas number: 8050-32-6
cas number: 7705-13-7
cas number: 138-86-3
cas number: 555-08-8
cas number: 68246-90-2
cas number: 26123-39-7
cas number: 95327-98-3
formula: C10H16
inchi: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
iupac name: 1-methyl-4-prop-1-en-2-ylcyclohexene @en
pubchem: 22311
smiles: CC1=CCC(CC1)C(=C)C
inchikey: XMGQYMWWDOXHJM-UHFFFAOYSA-N
broader: CHEMONTID_0001401
in scheme: Conceptschema Chemische Stoffen
notation: limnn

clomipramine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 83162-38-3
cas number: 303-49-1
formula: C19H23ClN2
inchi: InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
iupac name: 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine @en
pubchem: 2801
smiles: CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
inchikey: GDLIGKIOYRNHDA-UHFFFAOYSA-N
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: clompmne

2,2'-dichloordiisopropyl ether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 52438-91-2
cas number: 108-60-1
formula: C6H12Cl2O
inchi: InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3
iupac name: 1-chloro-2-(1-chloropropan-2-yloxy)propane @en
pubchem: 7944
smiles: CC(CCl)OC(C)CCl
inchikey: QCFYJCYNJLBDRT-UHFFFAOYSA-N
alternative label: 2,2'-Dichloordiisopropyl ether
alternative label: bis-(2-chloorisopropyl)-ether
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: DClDiC3yEtr

propaansulton
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1120-71-4
formula: C3H6O3S
inchi: InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2
iupac name: oxathiolane 2,2-dioxide @en
pubchem: 14264
smiles: C1COS(=O)(=O)C1
inchikey: FSSPGSAQUIYDCN-UHFFFAOYSA-N
broader: CHEMONTID_0001888
in scheme: Conceptschema Chemische Stoffen
notation: C3astn

methiocarbsulfoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2635-10-1
formula: C11H15NO3S
inchi: InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
iupac name: (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate @en
pubchem: 17521
smiles: CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC
inchikey: FNCMBMZOZQAWJA-UHFFFAOYSA-N
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: metocbSO

methylhydrazine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 60-34-4
formula: CH6N2
inchi: InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3
iupac name: METHYLHYDRAZINE @en
pubchem: 6061
smiles: CNN
inchikey: HDZGCSFEDULWCS-UHFFFAOYSA-N
broader: CHEMONTID_0004511
in scheme: Conceptschema Chemische Stoffen
notation: C1yhdzne

tris(2,3-dibroompropyl)fosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 126-72-7
cas number: 1867-14-7
cas number: 55962-48-6
cas number: 68112-30-1
formula: C9H15Br6O4P
inchi: InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2
iupac name: ['tris(2,3-dibromopropoxy)-hydroxyphosphanium', 'Tris(2,3-dibromopropyl) phosphate'] @en
pubchem: 31356
smiles: C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br
inchikey: PQYJRMFWJJONBO-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: tris23DBrC3y

waterstofcarbonaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 71-52-3
formula: CHO3-
inchi: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
iupac name: hydrogen carbonate @en
pubchem: 769
smiles: C(=O)(O)[O-]
inchikey: BVKZGUZCCUSVTD-UHFFFAOYSA-M
broader: CHEMONTID_0001521
in scheme: Conceptschema Chemische Stoffen
notation: HCO3

cyclopenta(cd)pyreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 27208-37-3
formula: C18H10
inchi: InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H
iupac name: pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene @en
pubchem: 33743
inchikey: BZCXQYVNASLLQO-UHFFFAOYSA-N
broader: CHEMONTID_0001851
in scheme: Conceptschema Chemische Stoffen
notation: cycPecdPyr

hexythiazox
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 78587-05-0
formula: C17H21ClN2O2S
iupac name: (4S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide @en
pubchem: 73673
inchikey: XGWIJUOSCAQSSV-VPHXOMNUSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: hextazx

4,6-dinitro-o-cresol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 534-52-1
cas number: 53240-95-2
cas number: 37359-43-6
cas number: 8071-51-0
cas number: 8068-73-3
formula: C7H6N2O5
inchi: InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
iupac name: 2-Methyl-4,6-dinitrophenol @en
pubchem: 10800
smiles: CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
inchikey: ZXVONLUNISGICL-UHFFFAOYSA-N
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
notation: DNOC

methyl o-acetylricinoleaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 140-03-4
formula: C21H38O4
inchi: InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-
iupac name: methyl (Z)-12-acetyloxyoctadec-9-enoate @en
pubchem: 5282107
smiles: CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C
inchikey: CMOYPQWMTBSLJK-KAMYIIQDSA-N
alternative label: methyl O-acetylricinoleaat
broader: CHEMONTID_0001722
in scheme: Conceptschema Chemische Stoffen
notation: C1yOactrcnla

terbium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-27-9
cas number: 110424-82-3
formula: Tb
inchi: InChI=1S/Tb
iupac name: TERBIUM @en
pubchem: 23958
smiles: [Tb]
inchikey: GZCRRIHWUXGPOV-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Tb

2,4-diaminotoluene
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 12236-56-5
cas number: 95-80-7
cas number: 85898-88-0
cas number: 71111-07-4
formula: C7H10N2
inchi: InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3
iupac name: 4-methylbenzene-1,3-diamine @en
pubchem: 7261
smiles: CC1=C(C=C(C=C1)N)N
inchikey: VOZKAJLKRJDJLL-UHFFFAOYSA-N
alternative label: 2,4-diaminotolueen
broader: CHEMONTID_0003965
in scheme: Conceptschema Chemische Stoffen
notation: 24DAoTol

trans-1,2-dibroometheen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 590-11-4
cas number: 540-49-8
formula: C2H2Br2
inchi: InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-
iupac name: (Z)-1,2-dibromoethene @en
pubchem: 643776
smiles: C(=CBr)Br
inchikey: UWTUEMKLYAGTNQ-UPHRSURJSA-N
alternative label: som 1,2-dibroometheen (som cis- en trans-)
broader: CHEMONTID_0002864
in scheme: Conceptschema Chemische Stoffen
notation: t12DBrC2e
notation: s12DBrC2e

triethylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 78-40-0
formula: C6H15O4P
inchi: InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
iupac name: ['triethoxy-hydroxyphosphanium', 'Triethyl phosphate'] @en
pubchem: 6535
smiles: CCOP(=O)(OCC)OCC
inchikey: DQWPFSLDHJDLRL-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: TC2yPO4

4,4'-dibroombifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 92-86-4
formula: C12H8Br2
inchi: InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
iupac name: 1-bromo-4-(4-bromophenyl)benzene @en
pubchem: 7110
smiles: C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br
inchikey: HQJQYILBCQPYBI-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: PBB15

paclobutrazol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 77108-06-6
cas number: 66346-04-1
cas number: 76738-62-0
formula: C30H40Cl2N6O2
inchi: InChI=1S/2C15H20ClN3O/c2*1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h2*4-7,9-10,13-14,20H,8H2,1-3H3/t2*13?,14-/m10/s1
iupac name: (3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol; (3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol @en
pubchem: 6436297
inchikey: GHGCUYKTGPFCTK-LZOIJMLOSA-N
broader: CHEMONTID_0000188
in scheme: Conceptschema Chemische Stoffen
notation: pacbtzl

icaridin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 119515-38-7
cas number: 658051-75-3
formula: C12H23NO3
inchi: InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3
iupac name: butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate @en
pubchem: 125098
smiles: CCC(C)OC(=O)N1CCCCC1CCO
inchikey: QLHULAHOXSSASE-UHFFFAOYSA-N
broader: CHEMONTID_0002411
in scheme: Conceptschema Chemische Stoffen
notation: icrdn

1,3-butadieen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 106-99-0
cas number: 68514-37-4
cas number: 68441-48-5
cas number: 130983-70-9
cas number: 25339-57-5
formula: C4H6
inchi: InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
iupac name: Buta-1,3-diene @en
pubchem: 7845
smiles: C=CC=C
inchikey: KAKZBPTYRLMSJV-UHFFFAOYSA-N
broader: CHEMONTID_0001019
in scheme: Conceptschema Chemische Stoffen
notation: 13butDen

thifensulfuron-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 79277-27-3
formula: C12H13N5O6S2
inchi: InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
iupac name: methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate @en
pubchem: 73674
inchikey: AHTPATJNIAFOLR-UHFFFAOYSA-N
broader: CHEMONTID_0002017
in scheme: Conceptschema Chemische Stoffen
notation: thifsfrnC1y

vernolaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1929-77-7
formula: C10H21NOS
inchi: InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3
iupac name: S-propyl (dipropylamino)methanethioate @en
pubchem: 16003
smiles: CCCN(CCC)C(=O)SCCC
inchikey: OKUGPJPKMAEJOE-UHFFFAOYSA-N
broader: CHEMONTID_0001368
in scheme: Conceptschema Chemische Stoffen
notation: vernlt

gibberellinezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 77-06-5
formula: C19H22O6
inchi: InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16?,17+,18+,19-/m1/s1
iupac name: (1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid @en
pubchem: 439551
inchikey: IXORZMNAPKEEDV-QTWFBFKQSA-N
broader: CHEMONTID_0004013
in scheme: Conceptschema Chemische Stoffen
notation: gebbrlnzr

2-chloor-5-methyl-pyridine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 18368-64-4
formula: C6H6ClN
inchi: InChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
iupac name: 2-Chloro-5-methylpyridine @en
pubchem: 581393
smiles: CC1=CN=C(C=C1)Cl
inchikey: VXLYOURCUVQYLN-UHFFFAOYSA-N
broader: CHEMONTID_0004532
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl5C1yprdne

glyceroltriacetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 102-76-1
formula: C9H14O6
inchi: InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
iupac name: 1,3-diacetyloxypropan-2-yl acetate @en
pubchem: 5541
smiles: CC(=O)OCC(COC(=O)C)OC(=O)C
inchikey: URAYPUMNDPQOKB-UHFFFAOYSA-N
broader: CHEMONTID_0001135
in scheme: Conceptschema Chemische Stoffen
notation: glycrTactt

butralin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 33629-47-9
cas number: 12676-07-2
formula: C14H21N3O4
inchi: InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3
iupac name: N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline @en
pubchem: 36565
smiles: CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]
inchikey: SPNQRCTZKIBOAX-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: butln

microcystine-LY
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 123304-10-9
formula: C52H71N7O13
inchi: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16-,29-25+
iupac name: 15-[(4-hydroxyphenyl)methyl]-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
pubchem: 6440826
inchikey: SIGQAYSWORHPPH-GFXLLRAPSA-N
alternative label: microcystine-ly
broader: CHEMONTID_0002010
in scheme: Conceptschema Chemische Stoffen
notation: MC-LY

1-fenyl-1-penteen-3-on
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3152-68-9
cas number: 18402-88-5
formula: C11H12O
inchi: InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
iupac name: ['(E)-1-phenylpent-1-en-3-one', '1-Phenylpent-1-en-3-one'] @en
pubchem: 5354490
smiles: CCC(=O)C=CC1=CC=CC=C1
inchikey: LVGUHATVVHIJET-CMDGGOBGSA-N
broader: CHEMONTID_0000037
in scheme: Conceptschema Chemische Stoffen
notation: 1Fy1C5e3on

methyl-acrylonitril
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 126-98-7
cas number: 25067-61-2
formula: C4H5N
inchi: InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
iupac name: 2-methylprop-2-enenitrile @en
pubchem: 31368
smiles: CC(=C)C#N
inchikey: GYCMBHHDWRMZGG-UHFFFAOYSA-N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: C1yaclntl

prothiocarb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 19622-08-3
cas number: 19622-19-6
formula: C8H19ClN2OS
inchi: InChI=1S/C8H18N2OS.ClH/c1-4-12-8(11)9-6-5-7-10(2)3;/h4-7H2,1-3H3,(H,9,11);1H
iupac name: 3-(ethylsulfanylcarbonylamino)propyl-dimethylazanium chloride @en
pubchem: 29696
smiles: CCSC(=O)NCCC[NH+](C)C.[Cl-]
inchikey: NMFAMPYSJHIYMR-UHFFFAOYSA-N
alternative label: prothiocarb hydrochloride
broader: CHEMONTID_0001368
in scheme: Conceptschema Chemische Stoffen
notation: protocHCl
notation: protocb

3,5-dichlooraniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 626-43-7
formula: C6H5Cl2N
inchi: InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
iupac name: 3,5-DICHLOROANILINE @en
pubchem: 12281
smiles: C1=C(C=C(C=C1Cl)Cl)N
inchikey: UQRLKWGPEVNVHT-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 35DClAn

methylpropylaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 554-12-1
formula: C4H8O2
inchi: InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
iupac name: Methyl propanoate @en
pubchem: 11124
smiles: CCC(=O)OC
inchikey: RJUFJBKOKNCXHH-UHFFFAOYSA-N
broader: CHEMONTID_0003416
in scheme: Conceptschema Chemische Stoffen
notation: C1yC3yat

kresoxim-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 143390-89-0
formula: C18H19NO4
inchi: InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+
iupac name: methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate @en
pubchem: 6112114
smiles: CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC
inchikey: ZOTBXTZVPHCKPN-HTXNQAPBSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: kresOxmC1y

prallethrin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 23031-36-9
formula: C19H24O3
inchi: InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3/t14-,16?,17+/m0/s1
iupac name: (2-methyl-4-oxo-3-prop-2-ynyl-1-cyclopent-2-enyl) (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 31621
inchikey: SMKRKQBMYOFFMU-DRXWIORDSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: pralltn

2,4-dichloornitrobenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 611-06-3
formula: C6H3Cl2NO2
inchi: InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
iupac name: 2,4-Dichloro-1-nitrobenzene @en
pubchem: 11899
smiles: C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-]
inchikey: QUIMTLZDMCNYGY-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 24DClNO2Ben

ethyleenthioureum
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 96-45-7
cas number: 26856-29-1
cas number: 90613-75-5
cas number: 71836-04-9
cas number: 12261-94-8
cas number: 96-46-8
formula: C3H6N2S
inchi: InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
iupac name: imidazolidine-2-thione @en
pubchem: 7300
smiles: C1CN=C(N1)S
inchikey: PDQAZBWRQCGBEV-UHFFFAOYSA-N
broader: CHEMONTID_0000250
in scheme: Conceptschema Chemische Stoffen
notation: C2yetourum

pentachloorbenzeenthiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 133-49-3
formula: C6HCl5S
inchi: InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
iupac name: 2,3,4,5,6-pentachlorobenzenethiol @en
pubchem: 8620
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S
inchikey: LLMLGZUZTFMXSA-UHFFFAOYSA-N
broader: CHEMONTID_0001850
in scheme: Conceptschema Chemische Stoffen
notation: PeClBentol

2,6,10-trimethylpentadecaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 3892-00-0
formula: C18H38
inchi: InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3
iupac name: 2,6,10-TRIMETHYLPENTADECANE @en
pubchem: 19775
smiles: CCCCCC(C)CCCC(C)CCCC(C)C
inchikey: LBWPYRZGHYVSEL-UHFFFAOYSA-N
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: 2610TC1yC15

oxfendazole
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 53716-50-0
formula: C15H13N3O3S
inchi: InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
iupac name: methyl N-(6-phenylsulfinyl-1H-benzimidazol-2-yl)carbamate @en
pubchem: 40854
inchikey: BEZZFPOZAYTVHN-UHFFFAOYSA-N
broader: CHEMONTID_0000294
in scheme: Conceptschema Chemische Stoffen
notation: oxfdzle

amitraz
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 33089-61-1
formula: C19H23N3
inchi: InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3
iupac name: N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide @en
pubchem: 36324
inchikey: QXAITBQSYVNQDR-UHFFFAOYSA-N
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: amtz

1,3-di-isopropylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 99-62-7
formula: C12H18
inchi: InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
iupac name: 1,3-di(propan-2-yl)benzene @en
pubchem: 7450
smiles: CC(C)C1=CC(=CC=C1)C(C)C
inchikey: UNEATYXSUBPPKP-UHFFFAOYSA-N
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: 13DiC3yeBen

thallium 208
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14913-50-9
formula: Tl
inchi: InChI=1S/Tl/i1+4
iupac name: thallium-208 @en
pubchem: 6335611
smiles: [Tl]
inchikey: BKVIYDNLLOSFOA-RNFDNDRNSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Tl208

2-amino-4,6-dinitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 35572-78-2
formula: C7H7N3O4
inchi: InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3
iupac name: 2-methyl-3,5-dinitroaniline @en
pubchem: 37182
smiles: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
inchikey: IEEJAAUSLQCGJH-UHFFFAOYSA-N
broader: CHEMONTID_0003969
in scheme: Conceptschema Chemische Stoffen
notation: 2Ao46DNO2Tol

methylbenzothiazole
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 120-75-2
formula: C8H7NS
inchi: InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
iupac name: 2-methyl-1,3-benzothiazole @en
pubchem: 8446
smiles: CC1=NC2=CC=CC=C2S1
inchikey: DXYYSGDWQCSKKO-UHFFFAOYSA-N
alternative label: 2-methylbenzothiazool
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 2C1ybztazl

pcb 167
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 52663-72-6
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H
iupac name: 1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene @en
pubchem: 40479
inchikey: AZXHAWRMEPZSSV-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: PCB 167
alternative label: 2,3',4,4',5,5'-hexachloorbifenyl
alternative label: 2,3',4,4',5,5'-hexachloorbifenyl (pcb167)
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB167

methyl-n-nitroso-vinylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 4549-40-0
formula: C3H6N2O
inchi: InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3
iupac name: N-ethenyl-N-methylnitrous amide @en
pubchem: 20678
smiles: CN(C=C)N=O
inchikey: AWZVYNHQGTZJIH-UHFFFAOYSA-N
alternative label: methyl-N-nitroso-vinylamine
broader: CHEMONTID_0004777
in scheme: Conceptschema Chemische Stoffen
notation: C1yNNO2svnAe

prosulfocarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 52888-80-9
formula: C14H21NOS
inchi: InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
iupac name: S-(phenylmethyl) (dipropylamino)methanethioate @en
pubchem: 62020
smiles: CCCN(CCC)C(=O)SCC1=CC=CC=C1
inchikey: NQLVQOSNDJXLKG-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: prosfcb

fluazifop
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 121958-44-9
cas number: 69335-91-7
cas number: 93171-48-3
cas number: 86023-37-2
cas number: 87168-00-1
formula: C15H12F3NO4
inchi: InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)
iupac name: 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid @en
pubchem: 91701
inchikey: YUVKUEAFAVKILW-UHFFFAOYSA-N
broader: CHEMONTID_0004674
in scheme: Conceptschema Chemische Stoffen
notation: fluazfp

edifenfos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 17109-49-8
formula: C14H15O2PS2
inchi: InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
pubchem: 28292
smiles: CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2
inchikey: AWZOLILCOUMRDG-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: edffs

buprofezin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 69327-76-0
formula: C16H23N3OS
inchi: InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
iupac name: 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one @en
pubchem: 50367
inchikey: PRLVTUNWOQKEAI-UHFFFAOYSA-N
broader: CHEMONTID_0003094
in scheme: Conceptschema Chemische Stoffen
notation: bupfzn

molybdeentrioxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 77835-70-2
cas number: 12412-22-5
cas number: 1313-27-5
cas number: 114663-84-2
cas number: 12412-21-4
cas number: 37376-47-9
cas number: 114316-51-7
cas number: 199790-61-9
formula: MoO3
inchi: InChI=1S/Mo.3O
iupac name: trioxomolybdenum @en
pubchem: 14802
smiles: O=[Mo](=O)=O
inchikey: JKQOBWVOAYFWKG-UHFFFAOYSA-N
broader: CHEMONTID_0000538
in scheme: Conceptschema Chemische Stoffen
notation: MoTO

3,3'-dichloorbenzidine sulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 64969-34-2
formula: C12H14Cl2N2O8S2
inchi: InChI=1S/C12H10Cl2N2.2H2O4S/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;2*1-5(2,3)4/h1-6H,15-16H2;2*(H2,1,2,3,4)
iupac name: 4-(4-amino-3-chlorophenyl)-2-chloroaniline; sulfuric acid @en
pubchem: 62235
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.OS(=O)(=O)O.OS(=O)(=O)O
inchikey: PMZNABNRKYMIKT-UHFFFAOYSA-N
broader: CHEMONTID_0003956
in scheme: Conceptschema Chemische Stoffen
notation: 33DClbzdnSO4

b-fenylethylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 64-04-0
formula: C8H11N
inchi: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
iupac name: 2-phenylethanamine @en
pubchem: 1001
smiles: C1=CC=C(C=C1)CCN
inchikey: BHHGXPLMPWCGHP-UHFFFAOYSA-N
broader: CHEMONTID_0000186
in scheme: Conceptschema Chemische Stoffen
notation: 2FyC2yAe

trichloorbenzenen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 87-61-6
cas number: 12002-48-1
formula: C6H3Cl3
inchi: InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H
iupac name: 1,2,3-Trichlorobenzene @en
pubchem: 6895
smiles: C1=CC(=C(C(=C1)Cl)Cl)Cl
inchikey: RELMFMZEBKVZJC-UHFFFAOYSA-N
alternative label: 1,2,3-trichloorbenzeen
alternative label: trichloorbenzeen
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: 123TClBen
notation: TClBen

fenylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 32576-61-7
cas number: 101-84-8
formula: C12H10O
inchi: InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
iupac name: Phenoxybenzene @en
pubchem: 7583
smiles: C1=CC=C(C=C1)OC2=CC=CC=C2
inchikey: USIUVYZYUHIAEV-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: FyEtr

p-tolueensulfonamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 70-55-3
formula: C7H9NO2S
inchi: InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
iupac name: 4-Methylbenzenesulfonamide @en
pubchem: 6269
smiles: CC1=CC=C(C=C1)S(=O)(=O)N
inchikey: LMYRWZFENFIFIT-UHFFFAOYSA-N
broader: CHEMONTID_0004517
in scheme: Conceptschema Chemische Stoffen
notation: pTolsfAd

7-desmethylmicrocystine-lr
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 134842-07-2
formula: C48H72N10O12
inchi: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36+,37-,39+/m0/s1
iupac name: (5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
pubchem: 6441244
inchikey: WLWITBHAANNFHV-YNYQYFAYSA-N
alternative label: 7-desmethylmicrocystine-LR
broader: CHEMONTID_0002010
in scheme: Conceptschema Chemische Stoffen
notation: dmMC-LR

chloordioxide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 56310-06-6
cas number: 74296-11-0
cas number: 72061-90-6
cas number: 1318-59-8
cas number: 77546-18-0
cas number: 77546-17-9
cas number: 24518-47-6
cas number: 69049-77-0
cas number: 70134-37-1
cas number: 155808-17-6
cas number: 14998-27-7
cas number: 93085-22-4
cas number: 10049-04-4
cas number: 1333-81-9
formula: ClO2-
inchi: InChI=1S/ClHO2/c2-1-3/h(H,2,3)/p-1
iupac name: Chlorite @en
pubchem: 197148
smiles: [O-]Cl=O
inchikey: QBWCMBCROVPCKQ-UHFFFAOYSA-M
alternative label: chloriet
broader: CHEMONTID_0001050
in scheme: Conceptschema Chemische Stoffen
notation: ClO2
notation: ClDO

bis(2-chloorethyl)2-chloorethylfosfonaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 6294-34-4
cas number: 21343-86-2
formula: C6H12Cl3O3P
inchi: InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2
iupac name: 1-chloro-2-(2-chloroethoxy-(2-chloroethyl)phosphoryl)oxyethane @en
pubchem: 80518
smiles: C(CCl)OP(=O)(CCCl)OCCCl
inchikey: XXIDKSWYSYEFAG-UHFFFAOYSA-N
broader: CHEMONTID_0004482
in scheme: Conceptschema Chemische Stoffen
notation: b2ClC2y2ClC2

tetracontaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4181-95-7
formula: C40H82
iupac name: TETRACONTANE @en
pubchem: 20149
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: KUPLEGDPSCCPJI-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C40a

fluoxetine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 57226-07-0
cas number: 54910-89-3
cas number: 52341-67-0
formula: C17H18F3NO
inchi: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
iupac name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine @en
pubchem: 3386
inchikey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: fluoxtne

1,1-dichloor-1-fluorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1717-00-6
formula: C2H3Cl2F
inchi: InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3
iupac name: 1,1-DICHLORO-1-FLUOROETHANE @en
pubchem: 15586
smiles: CC(F)(Cl)Cl
inchikey: FRCHKSNAZZFGCA-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK141b

radium 226
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13982-63-3
cas number: 7440-14-4
formula: Ra
inchi: InChI=1S/Ra
iupac name: RADIUM @en
pubchem: 6328144
smiles: [Ra]
inchikey: HCWPIIXVSYCSAN-UHFFFAOYSA-N
alternative label: radium
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Ra
notation: Ra226

dimethylcarbamoyl chloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 79-44-7
cas number: 342009-25-0
formula: C3H6ClNO
inchi: InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3
iupac name: N,N-Dimethylcarbamoyl chloride @en
pubchem: 6598
smiles: CN(C)C(=O)Cl
inchikey: YIIMEMSDCNDGTB-UHFFFAOYSA-N
broader: CHEMONTID_0001192
in scheme: Conceptschema Chemische Stoffen
notation: DC1ycbmyCl

chloorfluoraniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 367-21-5
formula: C6H5ClFN
inchi: InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
iupac name: 3-CHLORO-4-FLUOROANILINE @en
pubchem: 9708
smiles: C1=CC(=C(C=C1N)Cl)F
inchikey: YSEMCVGMNUUNRK-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: ClFAn

(2,4-dichloorfenoxy)azijnzuur (2,4-d)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15183-39-8
cas number: 94-75-7
formula: C8H6Cl2O3
inchi: InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
iupac name: 2-(2,4-dichlorophenoxy)acetic acid @en
pubchem: 1486
smiles: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
inchikey: OVSKIKFHRZPJSS-UHFFFAOYSA-N
alternative label: 2,4-dichloorfenoxyazijnzuur
alternative label: (2,4-dichloorfenoxy)-azijnzuur (2,4-d)
broader: CHEMONTID_0004525
in scheme: Conceptschema Chemische Stoffen
notation: 24D

mexacarbaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 315-18-4
formula: C12H18N2O2
inchi: InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)
iupac name: (4-dimethylamino-3,5-dimethylphenyl) N-methylcarbamate @en
pubchem: 9414
smiles: CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC
inchikey: YNEVBPNZHBAYOA-UHFFFAOYSA-N
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: mexcbt

2-(perfluoroctyl)ethaan-1-sulfonzuur (8:2 FTS)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 39108-34-4
formula: C10H5F17O3S
inchi: InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid @en
pubchem: 3016044
inchikey: ALVYVCQIFHTIRD-UHFFFAOYSA-N
alternative label: 8:2 fluortelomeersulfonzuur (8:2 fts)
alternative label: 8:2 fluortelomeersulfonzuur
broader: CHEMONTID_0001179
in scheme: Conceptschema Chemische Stoffen
notation: 8:2 FTS
notation: H-PFC10asfzr

tolfenaminezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13710-19-5
formula: C14H12ClNO2
inchi: InChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)
iupac name: 2-[(4-chloro-3-methylphenyl)amino]benzoic acid @en
pubchem: 5507
smiles: CC1=C(C=CC(=C1)NC2=CC=CC=C2C(=O)O)Cl
inchikey: QDNMBJXNLJFNHT-UHFFFAOYSA-N
broader: CHEMONTID_0002948
in scheme: Conceptschema Chemische Stoffen
notation: tolfAezr

2-pyrrolidon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 22580-55-8
cas number: 616-45-5
formula: C4H7NO
inchi: InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
iupac name: pyrrolidin-2-one @en
pubchem: 12025
smiles: C1CC(=O)NC1
inchikey: HNJBEVLQSNELDL-UHFFFAOYSA-N
broader: CHEMONTID_0003031
in scheme: Conceptschema Chemische Stoffen
notation: 2prldn

ethylbutyraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 105-54-4
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
iupac name: Ethyl butanoate @en
pubchem: 7762
smiles: CCCC(=O)OCC
inchikey: OBNCKNCVKJNDBV-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: C2ybtrt

cyanuurzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 27941-25-9
cas number: 40580-20-9
cas number: 27026-93-3
cas number: 108-80-5
cas number: 504-19-8
cas number: 134016-52-7
formula: C3H3N3O3
inchi: InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
iupac name: 1,3,5-triazinane-2,4,6-trione @en
pubchem: 7956
smiles: C1(=O)NC(=O)NC(=O)N1
inchikey: ZFSLODLOARCGLH-UHFFFAOYSA-N
broader: CHEMONTID_0004105
in scheme: Conceptschema Chemische Stoffen
notation: CNuzr

chloorbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II bijl. 4.4.2
cas number: 68411-45-0
cas number: 108-90-7
cas number: 50717-45-8
formula: C6H5Cl
inchi: InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
iupac name: Chlorobenzene @en
pubchem: 7964
smiles: C1=CC=C(C=C1)Cl
inchikey: MVPPADPHJFYWMZ-UHFFFAOYSA-N
is referenced by: LUC IV 001
is referenced by: LUC IV 011
is referenced by: LUC IV 000
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: ClBen

7H-perfluorheptaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1546-95-8
formula: C7H2F12O2
inchi: InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid @en
pubchem: 15243
inchikey: JZHDEEOTEUVLHR-UHFFFAOYSA-N
alternative label: 7h-perfluorheptaanzuur
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: HPFHpA

4-oxoisoforon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1125-21-9
formula: C9H12O2
inchi: InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
iupac name: 2,6,6-Trimethylcyclohex-2-ene-1,4-dione @en
pubchem: 62374
smiles: CC1=CC(=O)CC(C1=O)(C)C
inchikey: AYJXHIDNNLJQDT-UHFFFAOYSA-N
broader: CHEMONTID_0004325
in scheme: Conceptschema Chemische Stoffen
notation: 4Ooifrn

fenfuram
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68445-15-8
cas number: 24691-80-3
formula: C12H11NO2
inchi: InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)
iupac name: 2-methyl-N-phenylfuran-3-carboxamide @en
pubchem: 90590
smiles: CC1=C(C=CO1)C(=O)NC2=CC=CC=C2
inchikey: JFSPBVWPKOEZCB-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: fenfrm

carbofenothion-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 953-17-3
formula: C9H12ClO2PS3
inchi: InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3
iupac name: (4-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidenephosphorane @en
pubchem: 13721
smiles: COP(=S)(OC)SCSC1=CC=C(C=C1)Cl
inchikey: OUCCVXVYGFBXSV-UHFFFAOYSA-N
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
notation: carbfntoC1y

monosulfiram
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-05-6
formula: C10H20N2S3
inchi: InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3
iupac name: diethylcarbamothioyl diethylaminomethanedithioate @en
pubchem: 7215
smiles: CCN(CC)C(=S)SC(=S)N(CC)CC
inchikey: CTPKSRZFJSJGML-UHFFFAOYSA-N
broader: CHEMONTID_0003260
in scheme: Conceptschema Chemische Stoffen
notation: monsfrm

cocaethyleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 529-38-4
formula: C18H23NO4
inchi: InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13?,14?,15-,16+/m0/s1
iupac name: ethyl (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate @en
pubchem: 65034
inchikey: NMPOSNRHZIWLLL-SSHXOBKSSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: cocC2ye

lutetium 173
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14391-24-3
formula: Lu
inchi: InChI=1S/Lu/i1-2
iupac name: lutetium-173 @en
pubchem: 177429
smiles: [Lu]
inchikey: OHSVLFRHMCKCQY-YPZZEJLDSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Lu173

actinium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-34-8
formula: Ac
inchi: InChI=1S/Ac
iupac name: ACTINIUM @en
pubchem: 23965
smiles: [Ac]
inchikey: QQINRWTZWGJFDB-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Ac

fenarimol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 60168-88-9
cas number: 162707-16-6
formula: C17H12Cl2N2O
inchi: InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
iupac name: (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol @en
pubchem: 43226
inchikey: NHOWDZOIZKMVAI-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: fenarml

quinoclamin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2797-51-5
formula: C10H6ClNO2
inchi: InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
iupac name: 2-amino-3-chloronaphthalene-1,4-dione @en
pubchem: 17748
smiles: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N
inchikey: OBLNWSCLAYSJJR-UHFFFAOYSA-N
broader: CHEMONTID_0000153
in scheme: Conceptschema Chemische Stoffen
notation: quincmn

iso-propylflamprop
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 52756-22-6
formula: C19H19ClFNO3
inchi: InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3
iupac name: propan-2-yl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate @en
pubchem: 40520
inchikey: IKVXBIIHQGXQRQ-UHFFFAOYSA-N
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: iC3yfpp

3-methylcholantreen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 345299-31-2
cas number: 56-49-5
formula: C21H16
inchi: InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
iupac name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene @en
pubchem: 1674
inchikey: PPQNQXQZIWHJRB-UHFFFAOYSA-N
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: 3C1ycltn

8:2 fluortelomeer onverzadigd carboxylzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 70887-84-2
formula: C10H2F16O2
inchi: InChI=1S/C10H2F16O2/c11-2(1-3(27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H,(H,27,28)
iupac name: 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enoic acid @en
pubchem: 71404795
inchikey: WHZXTVOEGZRRJM-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: 8:2 FTUCA

fenbuconazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 119611-00-6
cas number: 114369-43-6
formula: C19H17ClN4
inchi: InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
iupac name: 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile @en
pubchem: 86138
inchikey: RQDJADAKIFFEKQ-UHFFFAOYSA-N
broader: CHEMONTID_0003467
in scheme: Conceptschema Chemische Stoffen
notation: fenbcnzl

mecoprop
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 93-65-2
cas number: 7085-19-0
formula: C10H11ClO3
inchi: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
iupac name: 2-(4-Chloro-2-methylphenoxy)propanoic acid @en
pubchem: 7153
smiles: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O
inchikey: WNTGYJSOUMFZEP-UHFFFAOYSA-N
alternative label: mecoprop (mcpp)
broader: CHEMONTID_0004676
in scheme: Conceptschema Chemische Stoffen
notation: MCPP

dimethylsulfide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 31533-72-9
cas number: 75-18-3
formula: C2H6S
inchi: InChI=1S/C2H6S/c1-3-2/h1-2H3
iupac name: methylsulfanylmethane @en
pubchem: 1068
smiles: CSC
inchikey: QMMFVYPAHWMCMS-UHFFFAOYSA-N
broader: CHEMONTID_0003862
in scheme: Conceptschema Chemische Stoffen
notation: DC1yS

2,3-dichloorfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25167-81-1
cas number: 576-24-9
formula: C6H4Cl2O
inchi: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
iupac name: 2,3-Dichlorophenol @en
pubchem: 11334
smiles: C1=CC(=C(C(=C1)Cl)Cl)O
inchikey: UMPSXRYVXUPCOS-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 23DClFol

pregabalin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 148553-50-8
formula: C8H17NO2
inchi: InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
iupac name: (3S)-3-(aminomethyl)-5-methylhexanoic acid @en
pubchem: 5486971
smiles: CC(C)CC(CC(=O)O)CN
inchikey: AYXYPKUFHZROOJ-ZETCQYMHSA-N
broader: CHEMONTID_0001880
in scheme: Conceptschema Chemische Stoffen
notation: pregbln

2-chloorethylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 628-34-2
formula: C4H9ClO
inchi: InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3
iupac name: 1-CHLORO-2-ETHOXYETHANE @en
pubchem: 12341
smiles: CCOCCCl
inchikey: GPTVQTPMFOLLOA-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 2ClEyEtr

vinclozolin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 50471-44-8
formula: C12H9Cl2NO3
inchi: InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
iupac name: 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione @en
pubchem: 39676
inchikey: FSCWZHGZWWDELK-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: vinczln

3-tertiair-butylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 585-34-2
formula: C10H14O
inchi: InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
iupac name: 3-tert-Butylphenol @en
pubchem: 11450
smiles: CC(C)(C)C1=CC(=CC=C1)O
inchikey: CYEKUDPFXBLGHH-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 3ttC4yFol

chloorbenside
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 103-17-3
formula: C13H10Cl2S
inchi: InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
iupac name: 1-chloro-4-[(4-chlorophenyl)sulfanylmethyl]benzene @en
pubchem: 7639
smiles: C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)Cl
inchikey: ZHLKXBJTJHRTTE-UHFFFAOYSA-N
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
notation: Clbsde

chlooroxuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1982-47-4
formula: C15H15ClN2O2
inchi: InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)
iupac name: 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea @en
pubchem: 16115
inchikey: IVUXTESCPZUGJC-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: Cloxrn

nonylfenolpentaethoxylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 26264-02-8
formula: C25H44O6
inchi: InChI=1S/C25H44O6/c1-2-3-4-5-6-7-8-11-24-12-9-10-13-25(24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h9-10,12-13,26H,2-8,11,14-23H2,1H3
pubchem: 168503
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCO
inchikey: HRQQEXIVBZHHOQ-UHFFFAOYSA-N
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen
notation: NPEO5

methyl chloorcarbonaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 79-22-1
formula: C2H3ClO2
inchi: InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3
iupac name: METHYL CHLOROFORMATE @en
pubchem: 6586
smiles: COC(=O)Cl
inchikey: XMJHPCRAQCTCFT-UHFFFAOYSA-N
broader: CHEMONTID_0000364
in scheme: Conceptschema Chemische Stoffen
notation: C1yClcbnt

fluvalinaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 69409-94-5
cas number: 79472-91-6
formula: C26H22ClF3N2O3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate @en
pubchem: 50516
inchikey: INISTDXBRIBGOC-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: flualnt

formamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 23296-41-5
cas number: 75-12-7
formula: CH3NO
inchi: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
iupac name: FORMAMIDE @en
pubchem: 713
smiles: C(=O)N
inchikey: ZHNUHDYFZUAESO-UHFFFAOYSA-N
broader: CHEMONTID_0002484
in scheme: Conceptschema Chemische Stoffen
notation: formAd

2-chloor-6-(trichloormethyl)pyridine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1929-82-4
formula: C6H3Cl4N
inchi: InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
iupac name: 2-Chloro-6-(trichloromethyl)pyridine @en
pubchem: 16004
smiles: C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl
inchikey: DCUJJWWUNKIJPH-UHFFFAOYSA-N
broader: CHEMONTID_0004532
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl6TClC1ypr

oxasulfuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 144651-06-9
formula: C17H18N4O6S
inchi: InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)
iupac name: oxetan-3-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate @en
pubchem: 86443
inchikey: IOXAXYHXMLCCJJ-UHFFFAOYSA-N
broader: CHEMONTID_0004705
in scheme: Conceptschema Chemische Stoffen
notation: Oasfrn

cinnarizine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 16699-20-0
cas number: 298-57-7
formula: C26H28N2
inchi: InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
iupac name: ['1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine', '1-[di(phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine'] @en
pubchem: 1547484
inchikey: DERZBLKQOCDDDZ-JLHYYAGUSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen

naled
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 300-76-5
cas number: 53095-31-1
formula: C4H7Br2Cl2O4P
iupac name: (1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate @en
pubchem: 4420
smiles: COP(=O)(OC)OC(C(Cl)(Cl)Br)Br
inchikey: BUYMVQAILCEWRR-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: nald

2,2-dimethylhexaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 590-73-8
cas number: 29222-48-8
formula: C8H18
inchi: InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3
iupac name: 2,2-DIMETHYLHEXANE @en
pubchem: 11551
smiles: CCCCC(C)(C)C
inchikey: FLTJDUOFAQWHDF-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 22DC1yC6a

technetium 97
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15759-35-0
formula: Tc
inchi: InChI=1S/Tc/i1-1
iupac name: technetium-97 @en
pubchem: 161147
smiles: [Tc]
inchikey: GKLVYJBZJHMRIY-BJUDXGSMSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Tc97

broomfenvinfos-methyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13104-21-7
formula: C10H10BrCl2O4P
iupac name: [(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate @en
pubchem: 6107844
smiles: COP(=O)(OC)OC(=CBr)C1=C(C=C(C=C1)Cl)Cl
inchikey: LOOAGTDYKNUDBZ-UXBLZVDNSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: BrfvfsC1y

beta-propiolacton
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 57-57-8
formula: C3H4O2
inchi: InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2
iupac name: oxetan-2-one @en
pubchem: 2365
smiles: C1COC1=O
inchikey: VEZXCJBBBCKRPI-UHFFFAOYSA-N
broader: CHEMONTID_0001243
in scheme: Conceptschema Chemische Stoffen
notation: bppoltn

fenpropidin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 67306-00-7
formula: C19H31N
inchi: InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
iupac name: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine @en
pubchem: 91694
smiles: CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
inchikey: MGNFYQILYYYUBS-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: fenppdn

flumethrin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 69770-45-2
formula: C28H22Cl2FNO3
iupac name: ['[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate'] @en
pubchem: 6033664
inchikey: YXWCBRDRVXHABN-JCMHNJIXSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: flumtn

N'-(2,4-dimethylfenyl)-N-methylformamidine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 51550-40-4
cas number: 33089-74-6
formula: C10H15ClN2
inchi: InChI=1S/C10H14N2.ClH/c1-8-4-5-10(9(2)6-8)12-7-11-3;/h4-7H,1-3H3,(H,11,12);1H
iupac name: N-(2,4-dimethylphenyl)-N'-methylmethanimidamide hydrochloride @en
pubchem: 36325
smiles: CC1=CC(=C(C=C1)[NH2+]C=NC)C.[Cl-]
inchikey: VXSNJXDZTGFDMB-UHFFFAOYSA-N
alternative label: n'-(2,4-dimethylfenyl)-n-methylformamidine
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: N24DC1yFyNC1

cefuroxim
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 55268-75-2
formula: C16H16N4O8S
inchi: InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1
iupac name: ['(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2E)-2-furan-2-yl-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid', '(6R,7R)-3-(carbamoyloxymethyl)-7-[(2-furan-2-yl-2-methoxyiminoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid'] @en
pubchem: 5361202
inchikey: JFPVXVDWJQMJEE-SWWZKJRFSA-N
broader: CHEMONTID_0004410
in scheme: Conceptschema Chemische Stoffen
notation: cefrxm

2,3,4,5,6-pentabroomethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 85-22-3
formula: C8H5Br5
inchi: InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3
iupac name: 1,2,3,4,5-pentabromo-6-ethylbenzene @en
pubchem: 6800
smiles: CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
inchikey: FIAXCDIQXHJNIX-UHFFFAOYSA-N
alternative label: pentabroomethylbenzeen
broader: CHEMONTID_0001098
in scheme: Conceptschema Chemische Stoffen
notation: 2345PeBrC2y

(5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 486-56-6
formula: C10H12N2O
inchi: InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
iupac name: 1-methyl-5-pyridin-3-ylpyrrolidin-2-one @en
pubchem: 408
smiles: CN1C(CCC1=O)C2=CN=CC=C2
inchikey: UIKROCXWUNQSPJ-UHFFFAOYSA-N
alternative label: (5s)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon
broader: CHEMONTID_0001975
in scheme: Conceptschema Chemische Stoffen
notation: 5S1C1y53prdn

difloxacine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 98106-17-3
formula: C21H19F2N3O3
inchi: InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)
iupac name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid @en
pubchem: 56206
inchikey: NOCJXYPHIIZEHN-UHFFFAOYSA-N
broader: CHEMONTID_0002348
in scheme: Conceptschema Chemische Stoffen

octadecylacetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 72269-30-8
cas number: 822-23-1
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3
iupac name: Octadecyl acetate @en
pubchem: 69968
smiles: CCCCCCCCCCCCCCCCCCOC(=O)C
inchikey: OIZXRZCQJDXPFO-UHFFFAOYSA-N
broader: CHEMONTID_0001722
in scheme: Conceptschema Chemische Stoffen
notation: C18yactt

uranium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 22541-40-8
cas number: 7440-61-1
cas number: 24678-82-8
cas number: 16089-60-4
cas number: 13598-56-6
formula: U
inchi: InChI=1S/U
iupac name: URANIUM @en
pubchem: 23989
smiles: [U]
inchikey: JFALSRSLKYAFGM-UHFFFAOYSA-N
alternative label: Uranium 238
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: U
notation: U238

4,4'-diaminostilbeen-2,2'-disulfonzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 65941-98-2
cas number: 81-11-8
formula: C14H14N2O6S2
inchi: InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+
iupac name: ['5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid', '5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid'] @en
pubchem: 5284378
inchikey: REJHVSOVQBJEBF-OWOJBTEDSA-N
broader: CHEMONTID_0004785
in scheme: Conceptschema Chemische Stoffen
notation: 44DAosb22Dsf

di-n-butylftalaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 84-74-2
formula: C16H22O4
inchi: InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
iupac name: dibutyl benzene-1,2-dicarboxylate @en
pubchem: 3026
smiles: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
inchikey: DOIRQSBPFJWKBE-UHFFFAOYSA-N
alternative label: dibutylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC4yFt

rosuvastatine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 287714-41-4
formula: C22H28FN3O6S
inchi: InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m0/s1
iupac name: (E,3R,5R)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid @en
pubchem: 6439133
inchikey: BPRHUIZQVSMCRT-YXWZHEERSA-N
broader: CHEMONTID_0002308
in scheme: Conceptschema Chemische Stoffen
notation: rosvstne

ditalimfos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5131-24-8
formula: C12H14NO4PS
inchi: InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
iupac name: 2-diethoxyphosphinothioylisoindole-1,3-dione @en
pubchem: 21207
smiles: CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC
inchikey: MTBZIGHNGSTDJV-UHFFFAOYSA-N
broader: CHEMONTID_0004749
in scheme: Conceptschema Chemische Stoffen
notation: Dtlfs

N,N,4-trimethylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 99-97-8
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3
iupac name: N,N,4-Trimethylaniline @en
pubchem: 7471
smiles: CC1=CC=C(C=C1)N(C)C
inchikey: GYVGXEWAOAAJEU-UHFFFAOYSA-N
alternative label: n,n,4-trimethylaniline
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: NN4TC1yAn

metronidazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 99616-64-5
cas number: 443-48-1
formula: C6H9N3O3
inchi: InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
iupac name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol @en
pubchem: 4173
smiles: CC1=NC=C(N1CCO)[N+](=O)[O-]
inchikey: VAOCPAMSLUNLGC-UHFFFAOYSA-N
broader: CHEMONTID_0000242
in scheme: Conceptschema Chemische Stoffen
notation: metndzl

4-chloor-2-nitroanisool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 89-21-4
formula: C7H6ClNO3
inchi: InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
iupac name: 4-chloro-1-methoxy-2-nitrobenzene @en
pubchem: 66631
smiles: COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
inchikey: OSAYFGJUEOYRHY-UHFFFAOYSA-N
broader: CHEMONTID_0004671
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl2NO2ansl

3-broomfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 591-20-8
formula: C6H5BrO
inchi: InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
iupac name: 3-BROMOPHENOL @en
pubchem: 11563
smiles: C1=CC(=CC(=C1)Br)O
inchikey: MNOJRWOWILAHAV-UHFFFAOYSA-N
broader: CHEMONTID_0002767
in scheme: Conceptschema Chemische Stoffen
notation: 3BrFol

ferroceen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 55404-68-7
cas number: 51364-12-6
cas number: 102-54-5
formula: C10H10Fe
inchi: InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
iupac name: cyclopenta-1,3-diene; iron(+2) cation @en
pubchem: 7611
smiles: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
inchikey: KTWOOEGAPBSYNW-UHFFFAOYSA-N
broader: CHEMONTID_0004477
in scheme: Conceptschema Chemische Stoffen
notation: ferrcn

palladium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7440-05-3
formula: Pd
inchi: InChI=1S/Pd
iupac name: PALLADIUM @en
pubchem: 23938
smiles: [Pd]
inchikey: KDLHZDBZIXYQEI-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Pd

venlafaxine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 93413-69-5
formula: C17H27NO2
inchi: InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
iupac name: 1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol @en
pubchem: 5656
smiles: CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O
inchikey: PNVNVHUZROJLTJ-UHFFFAOYSA-N
broader: CHEMONTID_0000138
in scheme: Conceptschema Chemische Stoffen
notation: venlfxne

butocarboximsulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 34681-23-7
formula: C7H14N2O4S
inchi: InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+
iupac name: (3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate @en
pubchem: 9571009
smiles: CC(C(=NOC(=O)NC)C)S(=O)(=O)C
inchikey: CTJBHIROCMPUKL-WEVVVXLNSA-N
broader: CHEMONTID_0000505
in scheme: Conceptschema Chemische Stoffen
notation: butcbOxmsfn

triadimenol-b
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 82200-72-4
formula: C14H18ClN3O2
inchi: InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13+/m1/s1
iupac name: (1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
pubchem: 93469
inchikey: BAZVSMNPJJMILC-OLZOCXBDSA-N
alternative label: triadimenol-B
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: TadmnlB

sotalol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 27948-47-6
cas number: 3930-20-9
formula: C12H20N2O3S
inchi: InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
iupac name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide @en
pubchem: 5253
smiles: CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
inchikey: ZBMZVLHSJCTVON-UHFFFAOYSA-N
broader: CHEMONTID_0000038
in scheme: Conceptschema Chemische Stoffen
notation: sotll

1,4-dimethyl-2,5-diisopropylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 10375-96-9
formula: C14H22
inchi: InChI=1S/C14H22/c1-9(2)13-7-12(6)14(10(3)4)8-11(13)5/h7-10H,1-6H3
iupac name: 1,4-dimethyl-2,5-di(propan-2-yl)benzene @en
pubchem: 25211
smiles: CC1=CC(=C(C=C1C(C)C)C)C(C)C
inchikey: MBEBPYJMHLBHDJ-UHFFFAOYSA-N
broader: CHEMONTID_0000051
in scheme: Conceptschema Chemische Stoffen
notation: 14DC1y25DiC3

repaglinide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 135062-02-1
formula: C27H36N2O4
inchi: InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
iupac name: 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid @en
pubchem: 65981
inchikey: FAEKWTJYAYMJKF-QHCPKHFHSA-N
broader: CHEMONTID_0000303
in scheme: Conceptschema Chemische Stoffen
notation: repgnde

metolcarb
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1129-41-5
formula: C9H11NO2
inchi: InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
iupac name: (3-methylphenyl) N-methylcarbamate @en
pubchem: 14322
smiles: CC1=CC(=CC=C1)OC(=O)NC
inchikey: VOEYXMAFNDNNED-UHFFFAOYSA-N
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: metcb

prometryn
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 83653-07-0
cas number: 7287-19-6
formula: C10H19N5S
inchi: InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
iupac name: 6-methylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en
pubchem: 4929
smiles: CC(C)NC1=NC(=NC(=N1)SC)NC(C)C
inchikey: AAEVYOVXGOFMJO-UHFFFAOYSA-N
alternative label: prometryne
broader: CHEMONTID_0004735
in scheme: Conceptschema Chemische Stoffen
notation: promtne

2,2',3,3',4,5,6'-heptachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 38411-25-5
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-5-1-2-6(14)10(17)8(5)4-3-7(15)11(18)12(19)9(4)16/h1-3H
iupac name: 1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenyl)benzene @en
pubchem: 38025
inchikey: ZDLMBNHYTPHDLF-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB174

di-isopropylftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 605-45-8
formula: C14H18O4
inchi: InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
iupac name: dipropan-2-yl benzene-1,2-dicarboxylate @en
pubchem: 11799
smiles: CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C
inchikey: QWDBCIAVABMJPP-UHFFFAOYSA-N
alternative label: diisopropylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DiC3yFt

tetramethanol-acetyleendiureum
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 100091-50-7
cas number: 5395-50-6
cas number: 53272-25-6
formula: C8H14N4O6
inchi: InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2
iupac name: 1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione @en
pubchem: 79372
smiles: C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O
inchikey: UUGLSEIATNSHRI-UHFFFAOYSA-N
broader: CHEMONTID_0001149
in scheme: Conceptschema Chemische Stoffen
notation: T4C1olactlDu

2,4,6-trinitrofenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 189195-39-9
cas number: 29663-11-4
cas number: 190402-10-9
cas number: 88-89-1
formula: C6H3N3O7
inchi: InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
iupac name: 2,4,6-Trinitrophenol @en
pubchem: 6954
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
inchikey: OXNIZHLAWKMVMX-UHFFFAOYSA-N
broader: CHEMONTID_0000141
in scheme: Conceptschema Chemische Stoffen
notation: 246TNO2Fol

2-propeenzuur,2-methyl-,1,1'-(1,2-ethaandiyl)ester
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 141104-76-9
cas number: 25721-76-0
cas number: 97-90-5
cas number: 156940-26-0
cas number: 92308-31-1
cas number: 156932-37-5
cas number: 170006-96-9
cas number: 216753-70-7
cas number: 51026-92-7
cas number: 205501-13-9
cas number: 138454-60-1
cas number: 156168-97-7
cas number: 135623-36-8
cas number: 56480-56-9
cas number: 25852-47-5
cas number: 121978-90-3
cas number: 138533-09-2
cas number: 73212-53-0
cas number: 81897-47-4
cas number: 62886-53-7
cas number: 130865-23-5
cas number: 37211-46-4
cas number: 108772-05-0
cas number: 37311-07-2
cas number: 154855-14-8
cas number: 121266-93-1
cas number: 12738-39-5
formula: C10H14O4
inchi: InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3
iupac name: 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate @en
pubchem: 7355
smiles: CC(=C)C(=O)OCCOC(=O)C(=C)C
inchikey: STVZJERGLQHEKB-UHFFFAOYSA-N
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: 2C3ezr2C1y11

losartan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 114798-26-4
formula: C22H23ClN6O
inchi: InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
iupac name: [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol @en
pubchem: 3961
inchikey: PSIFNNKUMBGKDQ-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: lostan

1,4-dimethoxybenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 150-78-7
formula: C8H10O2
inchi: InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
iupac name: 1,4-Dimethoxybenzene @en
pubchem: 9016
smiles: COC1=CC=C(C=C1)OC
inchikey: OHBQPCCCRFSCAX-UHFFFAOYSA-N
broader: CHEMONTID_0004111
in scheme: Conceptschema Chemische Stoffen
notation: 14DC1oxBen

glyfosine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 174491-49-7
cas number: 2439-99-8
cas number: 174491-47-5
cas number: 174491-50-0
formula: C4H11NO8P2
inchi: InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
iupac name: 2-(bis(phosphonomethyl)amino)acetic acid @en
pubchem: 17112
smiles: C(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O
inchikey: OXHDYFKENBXUEM-UHFFFAOYSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: glyfsnt

2-aminonaftaleen-1,5-disulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 117-62-4
formula: C10H9NO6S2
inchi: InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
iupac name: 2-Aminonaphthalene-1,5-disulfonic acid @en
pubchem: 8338
inchikey: YAIKCRUPEVOINQ-UHFFFAOYSA-N
broader: CHEMONTID_0003600
in scheme: Conceptschema Chemische Stoffen
notation: 2AoNaf15Dsfz

butylbenzeensulfonaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 80-44-4
formula: C10H14O3S
inchi: InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
iupac name: Butyl benzenesulfonate @en
pubchem: 6642
smiles: CCCCOS(=O)(=O)C1=CC=CC=C1
inchikey: NIKBCKTWWPVAIC-UHFFFAOYSA-N
broader: CHEMONTID_0004309
in scheme: Conceptschema Chemische Stoffen
notation: C4yBensfnt

salicylzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 69-72-7
cas number: 7681-06-3
cas number: 8052-31-1
formula: C7H6O3
inchi: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
iupac name: 2-Hydroxybenzoic acid @en
pubchem: 338
smiles: C1=CC=C(C(=C1)C(=O)O)O
inchikey: YGSDEFSMJLZEOE-UHFFFAOYSA-N
broader: CHEMONTID_0002514
in scheme: Conceptschema Chemische Stoffen
notation: salczr

monochloorhydrine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 96-24-2
cas number: 69420-22-0
cas number: 52340-46-2
formula: C3H7ClO2
inchi: InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
iupac name: 3-Chloropropane-1,2-diol @en
pubchem: 7290
smiles: C(C(CCl)O)O
inchikey: SSZWWUDQMAHNAQ-UHFFFAOYSA-N
broader: CHEMONTID_0002608
in scheme: Conceptschema Chemische Stoffen
notation: MClhdne

diisopropylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 108-20-3
formula: C6H14O
inchi: InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
iupac name: 2-propan-2-yloxypropane @en
pubchem: 7914
smiles: CC(C)OC(C)C
inchikey: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 008
is referenced by: LUC IV 011
alternative label: di-isopropylether
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: DiC3yEtr

vinylchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
comment: VLAR III (D3) 'vinylchloride'
comment: VLAREM bijlage 2.5.1 'monovinylchloride'
comment: VLAR II Art. 5.7.7.1
cas number: 9002-86-2
cas number: 75-01-4
formula: C2H3Cl
inchi: InChI=1S/C2H3Cl/c1-2-3/h2H,1H2
iupac name: Chloroethene @en
pubchem: 6338
smiles: C=CCl
inchikey: BZHJMEDXRYGGRV-UHFFFAOYSA-N
alternative label: chlooretheen (vinylchloride)
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: ClC2e

2,3-dichlooraniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 27134-27-6
cas number: 608-27-5
formula: C6H5Cl2N
inchi: InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
iupac name: 2,3-Dichloroaniline @en
pubchem: 11844
smiles: C1=CC(=C(C(=C1)Cl)Cl)N
inchikey: BRPSAOUFIJSKOT-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 23DClAn

chloorthiamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1918-13-4
formula: C7H5Cl2NS
inchi: InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
iupac name: 2,6-Dichlorobenzenecarbothioamide @en
pubchem: 15968
smiles: C1=CC(=C(C(=C1)Cl)C(=N)S)Cl
inchikey: KGKGSIUWJCAFPX-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: CltaAd

benzeensulfonzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 98-11-3
formula: C6H6O3S
inchi: InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
iupac name: BENZENESULFONIC ACID @en
pubchem: 7371
smiles: C1=CC=C(C=C1)S(=O)(=O)O
inchikey: SRSXLGNVWSONIS-UHFFFAOYSA-N
broader: CHEMONTID_0000032
in scheme: Conceptschema Chemische Stoffen
notation: Bensfzr

2,2',3,3',4,5,5'-heptachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52663-74-8
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-4-1-5(9(16)7(14)2-4)6-3-8(15)11(18)12(19)10(6)17/h1-3H
iupac name: 1,2,3,4-tetrachloro-5-(2,3,5-trichlorophenyl)benzene @en
pubchem: 40481
inchikey: HOPMUCXYRNOABF-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB172

1-octanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 68603-15-6
cas number: 67700-96-3
cas number: 111-87-5
cas number: 220713-26-8
formula: C8H18O
inchi: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
iupac name: OCTAN-1-OL @en
pubchem: 957
smiles: CCCCCCCCO
inchikey: KBPLFHHGFOOTCA-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 1C8ol

2-chloor-1,1-dimethylethylbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 515-40-2
formula: C10H13Cl
inchi: InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
iupac name: (1-chloro-2-methylpropan-2-yl)benzene @en
pubchem: 68191
smiles: CC(C)(CCl)C1=CC=CC=C1
inchikey: DNXXUUPUQXSUFH-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl11DC1yC2y

octadecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 593-45-3
formula: C18H38
inchi: InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
iupac name: Octadecane @en
pubchem: 11635
smiles: CCCCCCCCCCCCCCCCCC
inchikey: RZJRJXONCZWCBN-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C18a

1,3-dioxaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 505-22-6
formula: C4H8O2
inchi: InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2
iupac name: 1,3-DIOXANE @en
pubchem: 10450
smiles: C1COCOC1
inchikey: VDFVNEFVBPFDSB-UHFFFAOYSA-N
broader: CHEMONTID_0001314
in scheme: Conceptschema Chemische Stoffen
notation: 13DOxan

polonium 210
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13981-52-7
formula: Po
inchi: InChI=1S/Po/i1+1
iupac name: polonium-210 @en
pubchem: 6328544
smiles: [Po]
inchikey: HZEBHPIOVYHPMT-OUBTZVSYSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Po210

5-nitro-ortho-toluidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 99-55-8
formula: C7H8N2O2
inchi: InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3
iupac name: 2-Methyl-5-nitroaniline @en
pubchem: 7444
smiles: CC1=C(C=C(C=C1)[N+](=O)[O-])N
inchikey: DSBIJCMXAIKKKI-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 5NO2otlidne

2,6-dibroomfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 608-33-3
formula: C6H4Br2O
inchi: InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
iupac name: 2,6-Dibromophenol @en
pubchem: 11847
smiles: C1=CC(=C(C(=C1)Br)O)Br
inchikey: SSIZLKDLDKIHEV-UHFFFAOYSA-N
broader: CHEMONTID_0002768
in scheme: Conceptschema Chemische Stoffen
notation: 26DBrFol

PCB-153
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 35065-27-1
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
iupac name: 1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene @en
pubchem: 37034
inchikey: MVWHGTYKUMDIHL-UHFFFAOYSA-N
is referenced by: CMA 3 I
is referenced by: LUC VI 002
alternative label: 2,2',4,4',5,5'-hexachloorbifenyl
alternative label: pcb 153
alternative label: 2,2',4,4',5,5'-hexachloorbifenyl (pcb153)
alternative label: pcb-153
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB153

fosmet
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 732-11-6
cas number: 5104-30-3
formula: C11H12NO4PS2
inchi: InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
pubchem: 12901
smiles: COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O
inchikey: LMNZTLDVJIUSHT-UHFFFAOYSA-N
broader: CHEMONTID_0004749
in scheme: Conceptschema Chemische Stoffen
notation: fosmt

hexadecylpyridinium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 140-72-7
formula: C21H38BrN
iupac name: 1-hexadecylpyridin-1-ium bromide @en
pubchem: 8816
smiles: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]
inchikey: DVBJBNKEBPCGSY-UHFFFAOYSA-M
broader: CHEMONTID_0001764
in scheme: Conceptschema Chemische Stoffen

mepanipyrim
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 110235-47-7
formula: C14H13N3
inchi: InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
iupac name: 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine @en
pubchem: 86296
smiles: CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2
inchikey: CIFWZNRJIBNXRE-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: mepnprm

diethylsulfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 64-67-5
cas number: 182115-04-4
cas number: 98503-29-8
formula: C4H10O4S
inchi: InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
iupac name: Diethyl sulfate @en
pubchem: 6163
smiles: CCOS(=O)(=O)OCC
inchikey: DENRZWYUOJLTMF-UHFFFAOYSA-N
broader: CHEMONTID_0001184
in scheme: Conceptschema Chemische Stoffen
notation: DC2ySO4

benzo(b)fluoran-teen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II (D2)
cas number: 205-99-2
formula: C20H12
inchi: InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
iupac name: pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene @en
pubchem: 9153
inchikey: FTOVXSOBNPWTSH-UHFFFAOYSA-N
is referenced by: LUC VI 001
alternative label: benzo(b)fluorantheen (b)
alternative label: benzo(b)fluorantheen
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: BbF

broompropylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 18181-80-1
cas number: 39394-17-7
formula: C17H16Br2O3
inchi: InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
iupac name: propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate @en
pubchem: 28936
inchikey: FOANIXZHAMJWOI-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: Brpplt

flufenacet
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 142459-58-3
formula: C14H13F4N3O2S
iupac name: N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide @en
pubchem: 86429
inchikey: IANUJLZYFUDJIH-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: flufnct

cis-11,14,17-eicosatrieenzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2091-27-2
formula: C20H34O2
inchi: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+
iupac name: ['(11E,14E,17E)-icosa-11,14,17-trienoic acid', 'icosa-11,14,17-trienoic acid'] @en
pubchem: 5282827
smiles: CCC=CCC=CCC=CCCCCCCCCCC(=O)O
inchikey: AHANXAKGNAKFSK-IUQGRGSQSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: c111417C20aT

pyroquilon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 57369-32-1
cas number: 84930-99-4
formula: C11H11NO
inchi: InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
iupac name: 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one @en
pubchem: 91665
smiles: C1CC(=O)N2CCC3=CC=CC1=C32
inchikey: XRJLAOUDSILTFT-UHFFFAOYSA-N
broader: CHEMONTID_0001716
in scheme: Conceptschema Chemische Stoffen
notation: pyrqln

ammoniumchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 50295-88-0
cas number: 128532-42-3
cas number: 54450-56-5
cas number: 55871-05-1
cas number: 154383-48-9
cas number: 89485-85-8
cas number: 15630-61-2
cas number: 12125-02-9
cas number: 127634-24-6
cas number: 20548-08-7
cas number: 89485-84-7
cas number: 75944-36-4
formula: ClH4N
inchi: InChI=1S/ClH.H3N/h1H;1H3
iupac name: azanium chloride @en
pubchem: 25517
smiles: [NH4+].[Cl-]
inchikey: NLXLAEXVIDQMFP-UHFFFAOYSA-N
broader: CHEMONTID_0000437
in scheme: Conceptschema Chemische Stoffen
notation: NH4Cl

salpeterzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68412-17-9
cas number: 7697-37-2
cas number: 218625-70-8
cas number: 78989-43-2
cas number: 12507-77-6
formula: HNO3
inchi: InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
iupac name: Nitric acid @en
pubchem: 944
smiles: [N+](=O)(O)[O-]
inchikey: GRYLNZFGIOXLOG-UHFFFAOYSA-N
broader: CHEMONTID_0001062
in scheme: Conceptschema Chemische Stoffen
notation: HNO3

etaconazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 60207-93-4
cas number: 71245-23-3
formula: C14H15Cl2N3O2
iupac name: 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole @en
pubchem: 91673
inchikey: DWRKFAJEBUWTQM-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: etcnzl

2-chloor-6-nitrotolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 83-42-1
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
iupac name: 1-Chloro-2-methyl-3-nitrobenzene @en
pubchem: 6740
smiles: CC1=C(C=CC=C1Cl)[N+](=O)[O-]
inchikey: XCSNRORTQRKCHB-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl6NO2Tol

benzofenon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 119-61-9
formula: C13H10O
inchi: InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
iupac name: di(phenyl)methanone @en
pubchem: 3102
smiles: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
inchikey: RWCCWEUUXYIKHB-UHFFFAOYSA-N
broader: CHEMONTID_0000120
in scheme: Conceptschema Chemische Stoffen
notation: benzfnn

plifenaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 21757-82-4
formula: C10H7Cl5O2
inchi: InChI=1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3
iupac name: [2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate @en
pubchem: 89040
inchikey: FSGNOVKGEXRRHD-UHFFFAOYSA-N
broader: CHEMONTID_0001097
in scheme: Conceptschema Chemische Stoffen
notation: plifnt

diuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 330-54-1
cas number: 56449-18-4
cas number: 127641-75-2
cas number: 150825-44-8
cas number: 201749-62-4
cas number: 102962-29-8
formula: C9H10Cl2N2O
inchi: InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
iupac name: 3-(3,4-Dichlorophenyl)-1,1-dimethylurea @en
pubchem: 3120
smiles: CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
inchikey: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: Durn

1,2-dichloorpropeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 563-54-2
formula: C3H4Cl2
inchi: InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2-
iupac name: (Z)-1,2-dichloroprop-1-ene @en
pubchem: 5463459
smiles: CC(=CCl)Cl
inchikey: PPKPKFIWDXDAGC-IHWYPQMZSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: 12DClC3e

2-fenylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 39387-78-5
cas number: 192076-92-9
cas number: 90-43-7
cas number: 61788-42-9
formula: C12H10O
inchi: InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
iupac name: 2-Phenylphenol @en
pubchem: 7017
smiles: C1=CC=C(C=C1)C2=CC=CC=C2O
inchikey: LLEMOWNGBBNAJR-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: 2FyFol

monomethylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 42939-70-8
cas number: 85404-17-7
cas number: 119775-09-6
cas number: 74-89-5
formula: CH5N
inchi: InChI=1S/CH5N/c1-2/h2H2,1H3
iupac name: Methanamine @en
pubchem: 6329
smiles: CN
inchikey: BAVYZALUXZFZLV-UHFFFAOYSA-N
alternative label: methylamine
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: MC1yAe

perfluor-n-pentadecaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 141074-63-7
formula: C15HF29O2
inchi: InChI=1S/C15HF29O2/c16-2(17,1(45)46)3(18,19)4(20,21)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)44/h(H,45,46)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-nonacosafluoropentadecanoic acid @en
pubchem: 12731198
inchikey: BJNCSIWIMCWIMS-UHFFFAOYSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: PFPeDA

2-(thiocyanomethylthio)benzothiazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 21564-17-0
cas number: 56532-60-6
cas number: 6441-45-8
cas number: 56996-45-3
cas number: 64441-45-8
formula: C9H6N2S3
inchi: InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
iupac name: 2-(thiocyanatomethylsulfanyl)-1,3-benzothiazole @en
pubchem: 30692
smiles: C1=CC=C2C(=C1)N=C(S2)SCSC#N
inchikey: TUBQDCKAWGHZPF-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: TCMTB

2,4-dimethyl-3-hexanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13432-25-2
formula: C8H18O
inchi: InChI=1S/C8H18O/c1-5-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3
iupac name: 2,4-Dimethylhexan-3-ol @en
pubchem: 98257
smiles: CCC(C)C(C(C)C)O
inchikey: UCRQJBCLZKHOGX-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1y3C6ol

chloorthal
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2136-79-0
formula: C8H2Cl4O4
inchi: InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
iupac name: 2,3,5,6-Tetrachloroterephthalic acid @en
pubchem: 16493
inchikey: KZCBXHSWMMIEQU-UHFFFAOYSA-N
broader: CHEMONTID_0001108
in scheme: Conceptschema Chemische Stoffen
notation: cltl

strontium 90
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 10098-97-2
formula: Sr
inchi: InChI=1S/Sr/i1+2
iupac name: strontium-90 @en
pubchem: 5486204
smiles: [Sr]
inchikey: CIOAGBVUUVVLOB-NJFSPNSNSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Sr90

n-hexadecaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 544-76-3
formula: C16H34
inchi: InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
iupac name: HEXADECANE @en
pubchem: 11006
smiles: CCCCCCCCCCCCCCCC
inchikey: DCAYPVUWAIABOU-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: NC16a

cholest-4-en-3-one
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 601-57-0
formula: C27H44O
inchi: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3
iupac name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 440
inchikey: NYOXRYYXRWJDKP-UHFFFAOYSA-N
broader: CHEMONTID_0001469
in scheme: Conceptschema Chemische Stoffen
notation: chole4e3on

1-naftaleenacetonitril
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 132-75-2
formula: C12H9N
inchi: InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
iupac name: 2-naphthalen-1-ylacetonitrile @en
pubchem: 8596
smiles: C1=CC=C2C(=C1)C=CC=C2CC#N
inchikey: OQRMWUNUKVUHQO-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 1Nafactntl

jomeprol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 78649-41-9
formula: C17H22I3N3O8
inchi: InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)
iupac name: N,N'-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide @en
pubchem: 3731
inchikey: NJKDOADNQSYQEV-UHFFFAOYSA-N
broader: CHEMONTID_0004361
in scheme: Conceptschema Chemische Stoffen
notation: jompl

2-benzylpyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 101-82-6
formula: C12H11N
inchi: InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
iupac name: 2-(Phenylmethyl)pyridine @en
pubchem: 7581
smiles: C1=CC=C(C=C1)CC2=CC=CC=N2
inchikey: PCFUWBOSXMKGIP-UHFFFAOYSA-N
broader: CHEMONTID_0000089
in scheme: Conceptschema Chemische Stoffen
notation: 2benzprdne

3-hydroxycarbofuran
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 16655-82-6
formula: C12H15NO4
inchi: InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
iupac name: (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate @en
pubchem: 27975
smiles: CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
inchikey: RHSUJRQZTQNSLL-UHFFFAOYSA-N
broader: CHEMONTID_0004189
in scheme: Conceptschema Chemische Stoffen
notation: 3HOxcbfrn

norfloxacine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 70458-96-7
formula: C16H18FN3O3
inchi: InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
iupac name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid @en
pubchem: 4539
inchikey: OGJPXUAPXNRGGI-UHFFFAOYSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: norfxcne

4,5-dichloor-2-nitroaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 6641-64-1
formula: C6H4Cl2N2O2
inchi: InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
iupac name: 4,5-Dichloro-2-nitroaniline @en
pubchem: 81149
smiles: C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N
inchikey: FSGTULQLEVAYRS-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 45DCl2NO2An

acetylcysteine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 616-91-1
formula: C5H9NO3S
inchi: InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)
iupac name: 2-acetamido-3-sulfanylpropanoic acid @en
pubchem: 581
smiles: CC(=O)NC(CS)C(=O)O
inchikey: PWKSKIMOESPYIA-UHFFFAOYSA-N
broader: CHEMONTID_0002402
in scheme: Conceptschema Chemische Stoffen
notation: actctne

aniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 53894-37-4
cas number: 17843-02-6
cas number: 146997-94-6
cas number: 37342-16-8
cas number: 62-53-3
formula: C6H7N
inchi: InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
iupac name: Aniline @en
pubchem: 6115
smiles: C1=CC=C(C=C1)N
inchikey: PAYRUJLWNCNPSJ-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: An

3,3'-dimethoxybenzidine dihydrochloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 20325-40-0
cas number: 111984-09-9
formula: C14H18Cl2N2O2
inchi: InChI=1S/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H
iupac name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline dihydrochloride @en
pubchem: 30113
smiles: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[NH3+])OC)[NH3+].[Cl-].[Cl-]
inchikey: UXTIAFYTYOEQHV-UHFFFAOYSA-N
alternative label: 3,3'-dimethoxybenzidinehydrochloride
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: 33DC1oxbzdnH
notation: 33DC1oxbzdnD

dimethyldioctadecylammoniumchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 59111-82-9
cas number: 66359-86-2
cas number: 134191-39-2
cas number: 129119-79-5
cas number: 107-64-2
cas number: 12677-13-3
cas number: 14357-21-2
cas number: 76723-98-3
formula: C38H80ClN
iupac name: dimethyl-dioctadecylazanium chloride @en
pubchem: 7879
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]
inchikey: REZZEXDLIUJMMS-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: DODAC

cyclohexeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 110-83-8
cas number: 33004-06-7
cas number: 7493-04-1
cas number: 15650-80-3
formula: C6H10
inchi: InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
iupac name: Cyclohexene @en
pubchem: 8079
smiles: C1CCC=CC1
inchikey: HGCIXCUEYOPUTN-UHFFFAOYSA-N
broader: CHEMONTID_0000017
in scheme: Conceptschema Chemische Stoffen
notation: cycC6e

benazolin-ethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25059-80-7
formula: C11H10ClNO3S
inchi: InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3
iupac name: ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate @en
pubchem: 3034351
smiles: CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=O
inchikey: WQRCEBAZAUAUQC-UHFFFAOYSA-N
broader: CHEMONTID_0000394
in scheme: Conceptschema Chemische Stoffen
notation: benzlnC2y

2,6-dinitrofenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 573-56-8
formula: C6H4N2O5
inchi: InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H
iupac name: 2,6-Dinitrophenol @en
pubchem: 11312
smiles: C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
inchikey: JCRIDWXIBSEOEG-UHFFFAOYSA-N
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
notation: 26DNO2Fol

tribenzylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 620-40-6
formula: C21H21N
inchi: InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
iupac name: 1-phenyl-N,N-bis(phenylmethyl)methanamine @en
pubchem: 24321
inchikey: MXHTZQSKTCCMFG-UHFFFAOYSA-N
broader: CHEMONTID_0000185
in scheme: Conceptschema Chemische Stoffen
notation: TbenzAe

jodosulfuron-methyl-natrium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 144550-36-7
formula: C14H13IN5NaO6S
inchi: InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22,23,24);/q;+1/p-1
iupac name: ['sodium (Z)-(5-iodo-2-methoxycarbonylphenyl)sulfonylimino-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]methanolate', 'sodium (5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide'] @en
pubchem: 74764357
inchikey: XFWOTCACTPMVSB-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
notation: IsfrnC1yNa

1,2,3,4,5,6-hexathiepane
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 17233-71-5
formula: CH2S6
inchi: InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2
iupac name: hexathiepane @en
pubchem: 87012
smiles: C1SSSSSS1
inchikey: JMYWPEQXUQGQNF-UHFFFAOYSA-N
broader: CHEMONTID_0000002
in scheme: Conceptschema Chemische Stoffen
notation: 123456Hxtpne

4-hydroxy-4-methyl-2-pentanon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 123-42-2
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
iupac name: 4-Hydroxy-4-methylpentan-2-one @en
pubchem: 31256
smiles: CC(=O)CC(C)(C)O
inchikey: SWXVUIWOUIDPGS-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 007
is referenced by: LUC IV 000
broader: CHEMONTID_0002913
in scheme: Conceptschema Chemische Stoffen
notation: 4Hox4C1y2C5o

2,6-dichloor-4-methylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2432-12-4
formula: C7H6Cl2O
inchi: InChI=1S/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
iupac name: 2,6-Dichloro-4-methylphenol @en
pubchem: 17077
smiles: CC1=CC(=C(C(=C1)Cl)O)Cl
inchikey: YXEOEPYIBGTLML-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 26DCl4C1yFol

terbufos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13071-79-9
formula: C9H21O2PS3
inchi: InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3
iupac name: tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
pubchem: 25670
smiles: CCOP(=S)(OCC)SCSC(C)(C)C
inchikey: XLNZEKHULJKQBA-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: terbfs

trifenylfosfinesulfide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3878-45-3
formula: C18H15PS
inchi: InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
iupac name: tri(phenyl)-sulfanylidenephosphorane @en
pubchem: 19758
inchikey: VYNGFCUGSYEOOZ-UHFFFAOYSA-N
broader: CHEMONTID_0001814
in scheme: Conceptschema Chemische Stoffen
notation: TFyffnS

2-ethoxy-2-methylpropaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 637-92-3
formula: C6H14O
inchi: InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3
iupac name: 2-Ethoxy-2-methylpropane @en
pubchem: 12512
smiles: CCOC(C)(C)C
inchikey: NUMQCACRALPSHD-UHFFFAOYSA-N
alternative label: ethyl-tert-butylether
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 2C2ox2C1yC3a

acifluorfen-natriumzout
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 94128-03-7
cas number: 63748-59-4
cas number: 62476-59-9
formula: C14H6ClF3NNaO5
inchi: InChI=1S/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1
iupac name: sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate @en
pubchem: 44072
inchikey: RVULBHWZFCBODE-UHFFFAOYSA-M
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: acFfNazt

cyaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 420-05-3
formula: CHNO
inchi: InChI=1S/CHNO/c2-1-3/h3H
iupac name: Cyanic acid @en
pubchem: 540
smiles: C(#N)O
inchikey: XLJMAIOERFSOGZ-UHFFFAOYSA-N
broader: CHEMONTID_0000363
in scheme: Conceptschema Chemische Stoffen
notation: Czr

monooctyltin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15231-57-9
formula: C8H17Sn
inchi: InChI=1S/C8H17.Sn/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;
iupac name: Octyl tin @en
pubchem: 5484215
smiles: CCCCCCCC[Sn]
inchikey: ZMHZSHHZIKJFIR-UHFFFAOYSA-N
broader: CHEMONTID_0001523
in scheme: Conceptschema Chemische Stoffen

2,3-dichloortolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 32768-54-0
formula: C7H6Cl2
inchi: InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
iupac name: 1,2-dichloro-3-methylbenzene @en
pubchem: 34702
smiles: CC1=C(C(=CC=C1)Cl)Cl
inchikey: GWLKCPXYBLCEKC-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 23DClTol

3-ethyltetracosaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 55282-17-2
formula: C26H54
iupac name: 3-Ethyltetracosane @en
pubchem: 294709
smiles: CCCCCCCCCCCCCCCCCCCCCC(CC)CC
inchikey: HCYGJXYCUXDCHD-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 3C2yC24a

2-methyl-1-fenyl-2-propanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 100-86-7
formula: C10H14O
inchi: InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
iupac name: 2-Methyl-1-phenylpropan-2-ol @en
pubchem: 7531
smiles: CC(C)(CC1=CC=CC=C1)O
inchikey: RIWRBSMFKVOJMN-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y1Fy2C3ol

1-ethylideenindeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2471-83-2
formula: C11H10
inchi: InChI=1S/C11H10/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2-9H,1H2
iupac name: 1-ETHENYL-1H-INDENE @en
pubchem: 17183
smiles: C=CC1C=CC2=CC=CC=C12
inchikey: DNWJJJOJBSVOEL-UHFFFAOYSA-N
broader: CHEMONTID_0000021
in scheme: Conceptschema Chemische Stoffen
notation: 1C2yididn

thiofanox
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 39196-18-4
formula: C9H18N2O2S
inchi: InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7-
iupac name: [(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate @en
pubchem: 5364932
smiles: CC(C)(C)C(=NOC(=O)NC)CSC
inchikey: FZSVSABTBYGOQH-XFFZJAGNSA-N
broader: CHEMONTID_0004752
in scheme: Conceptschema Chemische Stoffen
notation: tofnx

2-(fenylsulfonyl)aniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 4273-98-7
formula: C12H11NO2S
inchi: InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2
iupac name: 2-phenylsulfonylaniline @en
pubchem: 77956
smiles: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N
inchikey: JBCUKQQIWSWEOK-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: 2FysfnAn

diallaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 17708-57-5
cas number: 2303-16-4
formula: C10H17Cl2NOS
inchi: InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-
iupac name: ['S-[(Z)-2,3-dichloroprop-2-enyl] (di(propan-2-yl)amino)methanethioate', 'S-(2,3-dichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate'] @en
pubchem: 5284376
smiles: CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl
inchikey: SPANOECCGNXGNR-UITAMQMPSA-N
broader: CHEMONTID_0001368
in scheme: Conceptschema Chemische Stoffen
notation: Dalt

diazacholesterol-dihydrochloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1249-84-9
formula: C25H46Cl2N2O
inchi: InChI=1S/C25H44N2O.2ClH/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4;;/h7,19-23,28H,6,8-17H2,1-5H3;2*1H/t19-,20?,21-,22-,23-,24?,25?;;/m0../s1
iupac name: (3S,9S,14S,17S)-17-(3-dimethylaminopropyl-methylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol dihydrochloride @en
pubchem: 14729
inchikey: BZFBDUQOBQHBSZ-BJRTZXQSSA-N
broader: CHEMONTID_0003053
in scheme: Conceptschema Chemische Stoffen
notation: DazclsrDHCl

clindamycine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 24620-78-8
cas number: 16669-21-9
cas number: 18323-44-9
cas number: 13441-63-9
cas number: 24696-19-3
formula: C18H33ClN2O5S
iupac name: (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide @en
pubchem: 29029
inchikey: KDLRVYVGXIQJDK-NOWPCOIGSA-N
broader: CHEMONTID_0004322
in scheme: Conceptschema Chemische Stoffen
notation: clindmcne

2,3-dinitrofenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 66-56-8
formula: C6H4N2O5
inchi: InChI=1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H
iupac name: 2,3-DINITROPHENOL @en
pubchem: 6191
smiles: C1=CC(=C(C(=C1)O)[N+](=O)[O-])[N+](=O)[O-]
inchikey: MHKBMNACOMRIAW-UHFFFAOYSA-N
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
notation: 23DNO2Fol

iso-valeriaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 503-74-2
cas number: 92634-50-9
cas number: 35915-22-1
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
iupac name: 3-Methylbutanoic acid @en
pubchem: 10430
smiles: CC(C)CC(=O)O
inchikey: GWYFCOCPABKNJV-UHFFFAOYSA-N
broader: CHEMONTID_0003544
in scheme: Conceptschema Chemische Stoffen
notation: ivlrazr

iso-butylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 110-19-0
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
iupac name: 2-Methylpropyl acetate @en
pubchem: 8038
smiles: CC(C)COC(=O)C
inchikey: GJRQTCIYDGXPES-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 004
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: iC4yactt

amoxicilline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 26787-78-0
cas number: 61336-70-7
formula: C16H25N3O8S
inchi: InChI=1S/C16H19N3O5S.3H2O/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;;;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
iupac name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate @en
pubchem: 62883
inchikey: MQXQVCLAUDMCEF-CWLIKTDRSA-N
broader: CHEMONTID_0000174
in scheme: Conceptschema Chemische Stoffen
notation: amxclne

2,2,3,3-tetramethylpentaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7154-79-2
formula: C9H20
inchi: InChI=1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3
iupac name: 2,2,3,3-Tetramethylpentane @en
pubchem: 92723
smiles: CCC(C)(C)C(C)(C)C
inchikey: QUKOJKFJIHSBKV-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 2233T4C1yC5a

1,2-cyclohexaandiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1792-81-0
cas number: 54383-22-1
cas number: 931-17-9
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2
iupac name: Cyclohexane-1,2-diol @en
pubchem: 13601
smiles: C1CCC(C(C1)O)O
inchikey: PFURGBBHAOXLIO-UHFFFAOYSA-N
broader: CHEMONTID_0002647
in scheme: Conceptschema Chemische Stoffen
notation: 12ccC6aDol

dibenzofuran
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 132-64-9
cas number: 214827-48-2
formula: C12H8O
inchi: InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
iupac name: dibenzofuran @en
pubchem: 568
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3O2
inchikey: TXCDCPKCNAJMEE-UHFFFAOYSA-N
broader: CHEMONTID_0000015
in scheme: Conceptschema Chemische Stoffen
notation: Dbzfrn

cyprodinil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 121552-61-2
formula: C14H15N3
inchi: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
iupac name: 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine @en
pubchem: 86367
smiles: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3
inchikey: HAORKNGNJCEJBX-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: cypdnl

siliciumdioxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 15468-32-3
cas number: 70594-95-5
cas number: 17679-64-0
cas number: 105269-70-3
cas number: 14464-46-1
cas number: 1317-94-8
cas number: 12425-26-2
cas number: 122304-49-8
cas number: 1317-79-9
cas number: 15723-40-7
cas number: 14808-60-7
cas number: 112945-52-5
cas number: 67256-35-3
cas number: 92283-58-4
cas number: 99439-28-8
cas number: 98253-25-9
cas number: 1317-48-2
cas number: 7631-86-9
cas number: 122304-48-7
cas number: 87347-84-0
cas number: 50926-93-7
cas number: 12414-70-9
formula: O2Si
inchi: InChI=1S/O2Si/c1-3-2
iupac name: Dioxosilane @en
pubchem: 24261
smiles: O=[Si]=O
inchikey: VYPSYNLAJGMNEJ-UHFFFAOYSA-N
alternative label: silicaat
broader: CHEMONTID_0000534
in scheme: Conceptschema Chemische Stoffen
notation: SiO2

triadimenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 55219-65-3
formula: C14H18ClN3O2
inchi: InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
iupac name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
pubchem: 41368
inchikey: BAZVSMNPJJMILC-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: Tadmnl

eicosaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 112-95-8
formula: C20H42
iupac name: Icosane @en
pubchem: 8222
smiles: CCCCCCCCCCCCCCCCCCCC
inchikey: CBFCDTFDPHXCNY-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C20a

eicosylcyclohexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 4443-55-4
formula: C26H52
iupac name: icosylcyclohexane @en
pubchem: 20511
smiles: CCCCCCCCCCCCCCCCCCCCC1CCCCC1
inchikey: PSPNTGGVAYLSJO-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: C20yccC6a

monocarbamidedihydrogensulfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 21351-39-3
formula: CH6N2O5S
inchi: InChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)
iupac name: sulfuric acid; urea @en
pubchem: 159909
smiles: C(=O)(N)N.OS(=O)(=O)O
inchikey: SSBRSHIQIANGKS-UHFFFAOYSA-N
broader: CHEMONTID_0001180
in scheme: Conceptschema Chemische Stoffen
notation: MCDS

2,4,6-tri-tert-butylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 50356-20-2
cas number: 19879-87-9
cas number: 53320-88-0
cas number: 1333-60-4
cas number: 732-26-3
cas number: 11100-56-4
formula: C18H30O
inchi: InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
iupac name: 2,4,6-tritert-butylphenol @en
pubchem: 12902
inchikey: PFEFOYRSMXVNEL-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 246TttC4yFol

6:2/8:2 fluortelomerfosfaat diester
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 943913-15-3
formula: C18H9F30O4P
inchi: InChI=1S/C18H9F30O4P/c19-5(20,7(23,24)9(27,28)11(31,32)12(33,34)14(37,38)16(41,42)18(46,47)48)1-3-51-53(49,50)52-4-2-6(21,22)8(25,26)10(29,30)13(35,36)15(39,40)17(43,44)45/h1-4H2,(H,49,50)
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl hydrogen phosphate @en
pubchem: 101536705
inchikey: KHLRYLUKBJEYFH-UHFFFAOYSA-N
broader: CHEMONTID_0003459
in scheme: Conceptschema Chemische Stoffen
notation: 6:2/8:2 diPAP

2-ethylnaftaleen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 939-27-5
formula: C12H12
inchi: InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
iupac name: 2-Ethylnaphthalene @en
pubchem: 13652
smiles: CCC1=CC2=CC=CC=C2C=C1
inchikey: RJTJVVYSTUQWNI-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yNaf

verdox
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 88-41-5
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3
iupac name: (2-tert-butylcyclohexyl) acetate @en
pubchem: 62334
smiles: CC(=O)OC1CCCCC1C(C)(C)C
inchikey: FINOAUDUYKVGDS-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: verdx

etoposide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 136598-18-0
cas number: 201594-04-9
cas number: 51854-34-3
cas number: 33419-42-0
cas number: 76576-58-4
cas number: 35317-32-9
cas number: 121471-01-0
formula: C29H32O13
inchi: InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
iupac name: (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one @en
pubchem: 36462
inchikey: VJJPUSNTGOMMGY-MRVIYFEKSA-N
broader: CHEMONTID_0000047
in scheme: Conceptschema Chemische Stoffen
notation: etpsde

4:2 fluortelomeersulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 757124-72-4
formula: C6H5F9O3S
inchi: InChI=1S/C6H5F9O3S/c7-3(8,1-2-19(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H,16,17,18)
iupac name: 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonic acid @en
pubchem: 20734543
inchikey: TXGIGTRUEITPSC-UHFFFAOYSA-N
broader: CHEMONTID_0001179
in scheme: Conceptschema Chemische Stoffen
notation: 4:2 FTS

furalaxyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 57646-30-7
cas number: 66063-54-5
formula: C17H19NO4
inchi: InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3
iupac name: methyl 2-[(2,6-dimethylphenyl)-(furan-2-carbonyl)amino]propanoate @en
pubchem: 42504
inchikey: CIEXPHRYOLIQQD-UHFFFAOYSA-N
broader: CHEMONTID_0004756
in scheme: Conceptschema Chemische Stoffen
notation: furlxl

dihydrotestosterone
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 521-18-6
cas number: 12040-51-6
cas number: 28801-96-9
formula: C19H30O2
inchi: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
iupac name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 10635
smiles: CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
inchikey: NVKAWKQGWWIWPM-ABEVXSGRSA-N
broader: CHEMONTID_0001467
in scheme: Conceptschema Chemische Stoffen
notation: DHT

cerium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-45-1
cas number: 196959-41-8
cas number: 110123-49-4
formula: Ce
inchi: InChI=1S/Ce
iupac name: CERIUM @en
pubchem: 23974
smiles: [Ce]
inchikey: GWXLDORMOJMVQZ-UHFFFAOYSA-N
is referenced by: WAC III B 002
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Ce

bis(trichloormethyl)sulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3064-70-8
formula: C2Cl6O2S
inchi: InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8
iupac name: trichloro-(trichloromethylsulfonyl)methane @en
pubchem: 62478
smiles: C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl
inchikey: YBNLWIZAWPBUKQ-UHFFFAOYSA-N
broader: CHEMONTID_0000505
in scheme: Conceptschema Chemische Stoffen
notation: bisTClC1ysfn

chloorprofam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 11097-02-2
cas number: 101-21-3
formula: C10H12ClNO2
inchi: InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
iupac name: propan-2-yl N-(3-chlorophenyl)carbamate @en
pubchem: 2728
smiles: CC(C)OC(=O)NC1=CC(=CC=C1)Cl
inchikey: CWJSHJJYOPWUGX-UHFFFAOYSA-N
alternative label: chlorpropham
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
notation: Clpfm

trimethylthiofosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 152-18-1
formula: C3H9O3PS
inchi: InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3
iupac name: trimethoxy-sulfanylidenephosphorane @en
pubchem: 9038
smiles: COP(=S)(OC)OC
inchikey: XWSLYQXUTWUIKM-UHFFFAOYSA-N
broader: CHEMONTID_0003384
in scheme: Conceptschema Chemische Stoffen
notation: TC1ytoPO4

1-propanol-2-chloorfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 6145-73-9
cas number: 101551-02-4
formula: C9H18Cl3O4P
inchi: InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3
iupac name: Tris(2-chloropropyl) phosphate @en
pubchem: 22522
smiles: CC(COP(=O)(OCC(C)Cl)OCC(C)Cl)Cl
inchikey: GTRSAMFYSUBAGN-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: 1C3ol2ClPO4

1,3-dichloor-1,1,2,3,3-pentafluorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 136013-79-1
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-2(7,8)1(6)3(5,9)10/h1H
iupac name: 1,3-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE @en
pubchem: 62318
smiles: C(C(F)(F)Cl)(C(F)(F)Cl)F
inchikey: IDGBOLGHJQQORA-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225ea

benzo(c)fluoreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 205-12-9
cas number: 61089-87-0
cas number: 30777-20-9
formula: C17H12
inchi: InChI=1S/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2
iupac name: 7H-Benzo[c]fluorene @en
pubchem: 9150
smiles: C1C2=C(C3=CC=CC=C31)C4=CC=CC=C4C=C2
inchikey: FRIJWEQBTIZQMD-UHFFFAOYSA-N
broader: CHEMONTID_0000020
in scheme: Conceptschema Chemische Stoffen
notation: BcFle

1,3-diethylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 141-93-5
cas number: 68584-01-0
formula: C10H14
inchi: InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
iupac name: 1,3-Diethylbenzene @en
pubchem: 8864
smiles: CCC1=CC(=CC=C1)CC
inchikey: AFZZYIJIWUTJFO-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 13DC2yBen

2,4,6-tribroomanisol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 607-99-8
formula: C7H5Br3O
inchi: InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
iupac name: 1,3,5-tribromo-2-methoxybenzene @en
pubchem: 11839
smiles: COC1=C(C=C(C=C1Br)Br)Br
inchikey: YXTRCOAFNXQTKL-UHFFFAOYSA-N
broader: CHEMONTID_0000138
in scheme: Conceptschema Chemische Stoffen
notation: 246TBransl

sulfamethoxypyridazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 80-35-3
formula: C11H12N4O3S
inchi: InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
iupac name: 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide @en
pubchem: 5330
smiles: COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
inchikey: VLYWMPOKSSWJAL-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen

2,6-diamino-4-nitrotolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 59229-75-3
formula: C7H9N3O2
inchi: InChI=1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3
iupac name: 2-methyl-5-nitrobenzene-1,3-diamine @en
pubchem: 91671
smiles: CC1=C(C=C(C=C1N)[N+](=O)[O-])N
inchikey: SPOWAUDUGZVURQ-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 26DAo4NO2Tol

1,2-dihydroxybenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 16474-90-1
cas number: 120-80-9
cas number: 37349-32-9
cas number: 12385-08-9
cas number: 16474-89-8
formula: C6H6O2
inchi: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
iupac name: benzene-1,2-diol @en
pubchem: 289
smiles: C1=CC=C(C(=C1)O)O
inchikey: YCIMNLLNPGFGHC-UHFFFAOYSA-N
broader: CHEMONTID_0000135
in scheme: Conceptschema Chemische Stoffen
notation: 12DHOxBen

1-heptanal
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 111-71-7
formula: C7H14O
inchi: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
iupac name: Heptanal @en
pubchem: 8130
smiles: CCCCCCC=O
inchikey: FXHGMKSSBGDXIY-UHFFFAOYSA-N
broader: CHEMONTID_0002229
in scheme: Conceptschema Chemische Stoffen
notation: 1C7al

fomesafen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 108731-70-0
cas number: 72178-02-0
formula: C15H9ClF3N2NaO6S
iupac name: sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate @en
pubchem: 60267
inchikey: CRHGSCXKJPJNAB-UHFFFAOYSA-M
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: fomsfn

hexafluorpropyleen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 116-15-4
formula: C3F6
inchi: InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9
iupac name: 1,1,2,3,3,3-hexafluoroprop-1-ene @en
pubchem: 8302
smiles: C(=C(F)F)(C(F)(F)F)F
inchikey: HCDGVLDPFQMKDK-UHFFFAOYSA-N
broader: CHEMONTID_0002861
in scheme: Conceptschema Chemische Stoffen
notation: HFC3ye

difenylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 86352-05-8
cas number: 122-39-4
formula: C12H11N
inchi: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
iupac name: N-Phenylaniline @en
pubchem: 11487
smiles: C1=CC=C(C=C1)NC2=CC=CC=C2
inchikey: DMBHHRLKUKUOEG-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: DFyAe

1,1,1-trichloorethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II Art. 5.4.3.1.4
comment: VLAR II bijl. 4.4.2
cas number: 74552-83-3
cas number: 71-55-6
formula: C2H3Cl3
inchi: InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
iupac name: 1,1,1-Trichloroethane @en
pubchem: 6278
smiles: CC(Cl)(Cl)Cl
inchikey: UOCLXMDMGBRAIB-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 002
is referenced by: LUC IV 011
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 111TClC2a

hexachloorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 67-72-1
formula: C2Cl6
inchi: InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
iupac name: 1,1,1,2,2,2-Hexachloroethane @en
pubchem: 6214
smiles: C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl
inchikey: VHHHONWQHHHLTI-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: HxClC2a

1,2-dibroom-3-chloorpropaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 105567-86-0
cas number: 96-12-8
cas number: 67708-83-2
formula: C3H5Br2Cl
inchi: InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
iupac name: 1,2-Dibromo-3-chloropropane @en
pubchem: 7280
smiles: C(C(CBr)Br)Cl
inchikey: WBEJYOJJBDISQU-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 12DBr3ClC3a

2,7-dimethylquinoline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 93-37-8
formula: C11H11N
inchi: InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3
iupac name: 2,7-Dimethylquinoline @en
pubchem: 7138
smiles: CC1=CC2=C(C=C1)C=CC(=N2)C
inchikey: QXKPLNCZSFACPU-UHFFFAOYSA-N
broader: CHEMONTID_0001253
in scheme: Conceptschema Chemische Stoffen
notation: 27DC1yqnlne

demeton-s-methylsulfon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 17040-19-6
formula: C6H15O5PS2
inchi: InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3
iupac name: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane @en
pubchem: 28213
smiles: CCS(=O)(=O)CCSP(=O)(OC)OC
inchikey: PZIRJMYRYORVIT-UHFFFAOYSA-N
alternative label: demeton-S-methylsulfon
broader: CHEMONTID_0000505
in scheme: Conceptschema Chemische Stoffen
notation: demtSC1ysfn

2-chloor-6-methylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 87-63-8
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
iupac name: 2-Chloro-6-methylaniline @en
pubchem: 6897
smiles: CC1=C(C(=CC=C1)Cl)N
inchikey: WFNLHDJJZSJARK-UHFFFAOYSA-N
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl6C1yAn

bismuth 214
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14733-03-0
formula: Bi
inchi: InChI=1S/Bi/i1+5
iupac name: bismuth-214 @en
pubchem: 6328549
smiles: [Bi]
inchikey: JCXGWMGPZLAOME-BKFZFHPZSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Bi214

novaluron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 116714-46-6
formula: C17H9ClF8N2O4
pubchem: 93541
inchikey: NJPPVKZQTLUDBO-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: novlrn

xenon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7440-63-3
formula: Xe
inchi: InChI=1S/Xe
iupac name: XENON @en
pubchem: 23991
smiles: [Xe]
inchikey: FHNFHKCVQCLJFQ-UHFFFAOYSA-N
broader: CHEMONTID_0000433
in scheme: Conceptschema Chemische Stoffen
notation: Xe

dapson
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 80-08-0
formula: C12H12N2O2S
inchi: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
iupac name: 4-(4-aminophenyl)sulfonylaniline @en
pubchem: 2955
smiles: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
inchikey: MQJKPEGWNLWLTK-UHFFFAOYSA-N
alternative label: dapsone
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: dapsn

methaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II (D1, definities broeikasgassen)
comment: VLAR III (D3, art 3.12.5.1.7) 'CH4-gehalte'
cas number: 74-82-8
formula: CH4
inchi: InChI=1S/CH4/h1H4
iupac name: methane @en
pubchem: 297
smiles: C
inchikey: VNWKTOKETHGBQD-UHFFFAOYSA-N
alternative label: methaan (CH4)
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C1a

heptadecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 629-78-7
formula: C17H36
inchi: InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
iupac name: Heptadecane @en
pubchem: 12398
smiles: CCCCCCCCCCCCCCCCC
inchikey: NDJKXXJCMXVBJW-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C17a

2,3,4-trichloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15950-66-0
formula: C6H3Cl3O
inchi: InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
iupac name: 2,3,4-TRICHLOROPHENOL @en
pubchem: 27582
smiles: C1=CC(=C(C(=C1O)Cl)Cl)Cl
inchikey: HSQFVBWFPBKHEB-UHFFFAOYSA-N
broader: CHEMONTID_0002772
in scheme: Conceptschema Chemische Stoffen
notation: 234TClFol

2,4,4-trimethylpenteen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 25167-70-8
cas number: 12002-23-2
cas number: 107-39-1
formula: C8H16
inchi: InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
iupac name: 2,4,4-Trimethylpent-1-ene @en
pubchem: 7868
smiles: CC(=C)CC(C)(C)C
inchikey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N
broader: CHEMONTID_0004622
in scheme: Conceptschema Chemische Stoffen
notation: 244TC1yC5e

o-cresol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 95-48-7
formula: C7H8O
inchi: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
iupac name: 2-Methylphenol @en
pubchem: 335
smiles: CC1=CC=CC=C1O
inchikey: QWVGKYWNOKOFNN-UHFFFAOYSA-N
alternative label: 2-methylfenol (o-cresol)
alternative label: 2-methylfenol
broader: CHEMONTID_0001274
in scheme: Conceptschema Chemische Stoffen
notation: ocresl

clofibraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 637-07-0
formula: C12H15ClO3
inchi: InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
iupac name: Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate @en
pubchem: 2796
smiles: CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
inchikey: KNHUKKLJHYUCFP-UHFFFAOYSA-N
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: clofbt

decyl 9-octadecenoaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 3687-46-5
formula: C28H54O2
inchi: InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15-
iupac name: decyl (Z)-octadec-9-enoate @en
pubchem: 5363234
smiles: CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC
inchikey: SASYSVUEVMOWPL-NXVVXOECSA-N
broader: CHEMONTID_0003322
in scheme: Conceptschema Chemische Stoffen
notation: C10y9C18enat

penicilline v
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 87-08-1
cas number: 132-98-9
cas number: 8059-73-2
formula: C16H17KN2O5S
inchi: InChI=1S/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1
iupac name: potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate @en
pubchem: 8605
inchikey: HCTVWSOKIJULET-LQDWTQKMSA-M
alternative label: penicilline V
broader: CHEMONTID_0001189
in scheme: Conceptschema Chemische Stoffen
notation: penclnV

methamidofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 10265-92-6
cas number: 65960-97-6
cas number: 115182-35-9
formula: C2H8NO2PS
inchi: InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
iupac name: (amino-methylsulfanylphosphoryl)oxymethane @en
pubchem: 4096
smiles: COP(=O)(N)SC
inchikey: NNKVPIKMPCQWCG-UHFFFAOYSA-N
broader: CHEMONTID_0004665
in scheme: Conceptschema Chemische Stoffen
notation: mtmdfs

plutonium 238
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13981-16-3
formula: Pu
inchi: InChI=1S/Pu/i1-6
iupac name: plutonium-238 @en
pubchem: 61709
smiles: [Pu]
inchikey: OYEHPCDNVJXUIW-VENIDDJXSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Pu238

N,2-dimethylaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 611-21-2
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
iupac name: N,2-Dimethylaniline @en
pubchem: 69137
smiles: CC1=CC=CC=C1NC
inchikey: GUAWMXYQZKVRCW-UHFFFAOYSA-N
alternative label: n,2-dimethylaniline
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: N2DC1yAn

ethylsulfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15066-87-2
cas number: 540-82-9
formula: C2H6O4S
inchi: InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)
iupac name: ethyl hydrogen sulfate @en
pubchem: 6004
smiles: CCOS(=O)(=O)O
inchikey: KIWBPDUYBMNFTB-UHFFFAOYSA-N
broader: CHEMONTID_0001185
in scheme: Conceptschema Chemische Stoffen
notation: C2ySO4

indium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7440-74-6
formula: In
inchi: InChI=1S/In
iupac name: INDIUM @en
pubchem: 5359967
smiles: [In]
inchikey: APFVFJFRJDLVQX-UHFFFAOYSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: In

ijzer 55
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14681-59-5
formula: Fe
inchi: InChI=1S/Fe/i1-1
iupac name: iron-55 @en
pubchem: 26815
smiles: [Fe]
inchikey: XEEYBQQBJWHFJM-BJUDXGSMSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Fe55

dithiobiuret
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 541-53-7
cas number: 26641-95-2
formula: C2H5N3S2
inchi: InChI=1S/C2H5N3S2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
iupac name: carbamothioylthiourea @en
pubchem: 10933
smiles: C(=NC(=N)S)(N)S
inchikey: JIRRNZWTWJGJCT-UHFFFAOYSA-N
broader: CHEMONTID_0001209
in scheme: Conceptschema Chemische Stoffen
notation: Dtoburt

manam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10198-45-5
cas number: 60226-96-2
cas number: 15339-36-3
cas number: 7786-33-6
cas number: 6379-47-1
formula: C6H12MnN2S4
inchi: InChI=1S/2C3H7NS2.Mn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
iupac name: dimethylaminomethanedithioate; manganese(+2) cation @en
pubchem: 61792
smiles: CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Mn+2]
inchikey: KQUQKVGNBPTEFO-UHFFFAOYSA-L
broader: CHEMONTID_0003997
in scheme: Conceptschema Chemische Stoffen
notation: manm

ibuprofen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 58560-75-1
cas number: 15687-27-1
formula: C13H18O2
inchi: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
iupac name: 2-[4-(2-methylpropyl)phenyl]propanoic acid @en
pubchem: 3672
smiles: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
inchikey: HEFNNWSXXWATRW-UHFFFAOYSA-N
broader: CHEMONTID_0002551
in scheme: Conceptschema Chemische Stoffen
notation: ibpfn

1-hydroxynaftaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 50356-21-3
cas number: 90-15-3
formula: C10H8O
inchi: InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
iupac name: naphthalen-1-ol @en
pubchem: 7005
smiles: C1=CC=C2C(=C1)C=CC=C2O
inchikey: KJCVRFUGPWSIIH-UHFFFAOYSA-N
broader: CHEMONTID_0002441
in scheme: Conceptschema Chemische Stoffen
notation: 1HOxNaf

sulprofos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 35400-43-2
formula: C12H19O2PS3
inchi: InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3
iupac name: ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidenephosphorane @en
pubchem: 37125
smiles: CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC
inchikey: JXHJNEJVUNHLKO-UHFFFAOYSA-N
broader: CHEMONTID_0004742
in scheme: Conceptschema Chemische Stoffen
notation: sulpfs

fenylmethylethanolamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 93-90-3
formula: C9H13NO
inchi: InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
iupac name: 2-(methyl-phenylamino)ethanol @en
pubchem: 62340
smiles: CN(CCO)C1=CC=CC=C1
inchikey: VIIZJXNVVJKISZ-UHFFFAOYSA-N
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: FyC1yC2olAe

bupropion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 34841-39-9
cas number: 34911-55-2
formula: C13H18ClNO
inchi: InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
iupac name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one @en
pubchem: 444
smiles: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
inchikey: SNPPWIUOZRMYNY-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: buppon

disulfoton
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 298-04-4
formula: C8H19O2PS3
inchi: InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
iupac name: diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidenephosphorane @en
pubchem: 3118
smiles: CCOP(=S)(OCC)SCCSCC
inchikey: DOFZAZXDOSGAJZ-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: Dsftn

thiacloprid
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 111988-49-9
formula: C10H9ClN4S
inchi: InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2
iupac name: [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide @en
pubchem: 115224
smiles: C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
inchikey: HOKKPVIRMVDYPB-UHFFFAOYSA-N
broader: CHEMONTID_0004532
in scheme: Conceptschema Chemische Stoffen
notation: thiacpd

oxacilline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 66-79-5
formula: C19H19N3O5S
inchi: InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1
iupac name: (2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid @en
pubchem: 6196
inchikey: UWYHMGVUTGAWSP-JKIFEVAISA-N
broader: CHEMONTID_0004830
in scheme: Conceptschema Chemische Stoffen
notation: Oaclne

1-(2,4-dimethylfenyl) ethanon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 89-74-7
formula: C10H12O
inchi: InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
iupac name: 1-(2,4-DIMETHYLPHENYL)ETHANONE @en
pubchem: 6985
smiles: CC1=CC(=C(C=C1)C(=O)C)C
inchikey: HSDSKVWQTONQBJ-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: 124DC1yFyC2o

chloropreen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 184963-09-5
cas number: 126-99-8
formula: C4H5Cl
inchi: InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
iupac name: 2-Chlorobuta-1,3-diene @en
pubchem: 31369
smiles: C=CC(=C)Cl
inchikey: YACLQRRMGMJLJV-UHFFFAOYSA-N
alternative label: 2-chloor-1,3-butadieen
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: Clpn

1,2,3,4,6,7,8,9-octachloordibenzofuraan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 39001-02-0
formula: C12Cl8O
inchi: InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15
iupac name: 1,2,3,4,6,7,8,9-Octachlorodibenzofuran @en
pubchem: 38200
inchikey: RHIROFAGUQOFLU-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: octachloordibenzofuraan
alternative label: octachloordibenzofuraan (ocdf)
alternative label: octachloordibenzofuran
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF135

sulfide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 18496-25-8
formula: S-2
inchi: InChI=1S/S/q-2
iupac name: Sulfide @en
pubchem: 29109
smiles: [S-2]
inchikey: UCKMPCXJQFINFW-UHFFFAOYSA-N
is referenced by: WAC III C 040
is referenced by: WAC III C 041
alternative label: sulfide (opgeloste en in zuur milieu oplosbare)
broader: CHEMONTID_0000555
in scheme: Conceptschema Chemische Stoffen
notation: S

1-aminooctaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68037-94-5
cas number: 191113-89-0
cas number: 111-86-4
formula: C8H19N
inchi: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
iupac name: octan-1-amine @en
pubchem: 8143
smiles: CCCCCCCCN
inchikey: IOQPZZOEVPZRBK-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: 1AoC8a

antimoon 125
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14234-35-6
formula: Sb
inchi: InChI=1S/Sb/i1+3
iupac name: antimony-125 @en
pubchem: 6335317
smiles: [Sb]
inchikey: WATWJIUSRGPENY-AKLPVKDBSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Sb125

empenthrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 98311-74-1
cas number: 54406-48-3
cas number: 96895-17-9
cas number: 92836-82-3
formula: C18H26O2
inchi: InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3/b13-10+
iupac name: [(E)-4-methylhept-4-en-1-yn-3-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 6434488
smiles: CCC=C(C)C(C#C)OC(=O)C1C(C1(C)C)C=C(C)C
inchikey: YUGWDVYLFSETPE-JLHYYAGUSA-N
broader: CHEMONTID_0001563
in scheme: Conceptschema Chemische Stoffen
notation: emptn

fluridon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 59756-60-4
formula: C19H14F3NO
inchi: InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3
iupac name: 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one @en
pubchem: 43079
inchikey: YWBVHLJPRPCRSD-UHFFFAOYSA-N
broader: CHEMONTID_0002317
in scheme: Conceptschema Chemische Stoffen
notation: flurdn

propazine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 139-40-2
formula: C9H16ClN5
inchi: InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
iupac name: 6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en
pubchem: 4937
smiles: CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C
inchikey: WJNRPILHGGKWCK-UHFFFAOYSA-N
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
notation: propzne

3-methylcyclohexanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 625-96-7
cas number: 591-24-2
cas number: 24965-87-5
formula: C7H12O
inchi: InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
iupac name: 3-methylcyclohexan-1-one @en
pubchem: 11567
smiles: CC1CCCC(=O)C1
inchikey: UJBOOUHRTQVGRU-UHFFFAOYSA-N
is referenced by: LUC IV 007
is referenced by: LUC IV 012
broader: CHEMONTID_0003487
in scheme: Conceptschema Chemische Stoffen

som HBCD (technisch mengsel, niet-gespecif. broom-posities)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25637-99-4
cas number: 22374-57-8
formula: C12H18Br6
inchi: InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2
iupac name: 1,3,5,7,9,11-hexabromocyclododecane @en
pubchem: 33121
smiles: C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br
inchikey: LEOCKULGXOQRTQ-UHFFFAOYSA-N
alternative label: som hbcd (technisch mengsel, niet-gespecif. broom-posities)
broader: CHEMONTID_0001515
in scheme: Conceptschema Chemische Stoffen
notation: HBCD

methylacrylaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II bijl. 4.4.2
cas number: 96-33-3
cas number: 102256-29-1
formula: C4H6O2
inchi: InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
iupac name: methyl prop-2-enoate @en
pubchem: 7294
smiles: COC(=O)C=C
inchikey: BAPJBEWLBFYGME-UHFFFAOYSA-N
is referenced by: LUC IV 004
is referenced by: LUC IV 000
is referenced by: LUC IV 012
broader: CHEMONTID_0004452
in scheme: Conceptschema Chemische Stoffen
notation: C1yaclt

monobutyltin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2406-65-7
formula: C4H12Sn
inchi: InChI=1S/C4H9.Sn.3H/c1-3-4-2;;;;/h1,3-4H2,2H3;;;;
iupac name: BUTYLSTANNANE @en
pubchem: 16996
smiles: CCCC[SnH3]
inchikey: FAOSYNUKPVJLNZ-UHFFFAOYSA-N
broader: CHEMONTID_0004150
in scheme: Conceptschema Chemische Stoffen

tetrabutylammonium cyanide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 71887-25-7
cas number: 10442-39-4
formula: C17H36N2
inchi: InChI=1S/C16H36N.CN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;/q+1;-1
iupac name: tetrabutylazanium cyanide @en
pubchem: 165872
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N
inchikey: KRRBFUJMQBDDPR-UHFFFAOYSA-N
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: T4C4yNH4CN

natriumjodide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 61456-04-0
cas number: 59216-98-7
cas number: 41927-88-2
cas number: 7681-82-5
formula: INa
inchi: InChI=1S/HI.Na/h1H;/q;+1/p-1
iupac name: Sodium Iodide @en
pubchem: 5238
smiles: [Na+].[I-]
inchikey: FVAUCKIRQBBSSJ-UHFFFAOYSA-M
broader: CHEMONTID_0000565
in scheme: Conceptschema Chemische Stoffen
notation: NaI

norethisteron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 68-22-4
formula: C20H26O2
inchi: InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
iupac name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 6230
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
inchikey: VIKNJXKGJWUCNN-XGXHKTLJSA-N
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
notation: noretsrn

pentabroomtolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 26101-97-3
cas number: 87-83-2
formula: C7H3Br5
inchi: InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3
iupac name: 1,2,3,4,5-pentabromo-6-methylbenzene @en
pubchem: 6906
smiles: CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
inchikey: OZHJEQVYCBTHJT-UHFFFAOYSA-N
broader: CHEMONTID_0001098
in scheme: Conceptschema Chemische Stoffen

2,2',3,4',5'-pentachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 41464-51-1
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H
iupac name: 1,2,4-trichloro-5-(2,3-dichlorophenyl)benzene @en
pubchem: 38881
inchikey: JTUSORDQZVOEAZ-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB97

dipropyleenglycolmonomethylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13588-28-8
cas number: 112388-78-0
cas number: 83730-60-3
cas number: 197632-43-2
cas number: 12002-35-6
cas number: 104512-57-4
cas number: 34590-94-8
formula: C7H16O3
inchi: InChI=1S/C7H16O3/c1-6(4-8)10-5-7(2)9-3/h6-8H,4-5H2,1-3H3
iupac name: 2-(2-methoxypropoxy)propan-1-ol @en
pubchem: 25485
smiles: CC(CO)OCC(C)OC
inchikey: CUDYYMUUJHLCGZ-UHFFFAOYSA-N
alternative label: 2-(2-methoxypropoxy)-1-propanol
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 22C1oxC3ox1C
notation: DC3yegcC1yEt

Perfluor-n-tridecaansulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 791563-89-8
formula: C13HF27O3S
inchi: InChI=1S/C13HF27O3S/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)44(41,42)43/h(H,41,42,43)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosafluorotridecane-1-sulfonic acid @en
pubchem: 21964789
inchikey: JMIXTHMPTMXARZ-UHFFFAOYSA-N
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
notation: PFTrDS

2-trifluoromethylbenzamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 360-64-5
formula: C8H6F3NO
inchi: InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
iupac name: 2-(Trifluoromethyl)benzamide @en
pubchem: 67759
smiles: C1=CC=C(C(=C1)C(=O)N)C(F)(F)F
inchikey: QBAYIBZITZBSFO-UHFFFAOYSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: 2TFC1yBenAd

chroom
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II D5 'chroom en zijn verbindingen uitgedrukt in Cr' en 'chroom en chroomverbindingen, uitgedrukt als chroom (Cr)'
comment: VLAR II bijl. 4.4.2 'chroom en zijn verbindingen, uitgedrukt in Cr'
comment: VLAR III (D3, diverse art) 'Cr'
cas number: 7440-47-3
cas number: 19498-56-7
cas number: 195161-82-1
cas number: 188785-87-7
formula: Cr
inchi: InChI=1S/Cr
iupac name: Chromium @en
pubchem: 23976
smiles: [Cr]
inchikey: VYZAMTAEIAYCRO-UHFFFAOYSA-N
is referenced by: LUC I 002
is referenced by: LUC III 010
alternative label: chroom (Cr)
broader: CHEMONTID_0000426
definition: chroom en chroomverbindingen, uitgedrukt als chroom (Cr)
in scheme: Conceptschema Chemische Stoffen
notation: Cr

1,2,2-trichloorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3175-23-3
formula: C3H5Cl3
inchi: InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3
iupac name: 1,2,2-TRICHLOROPROPANE @en
pubchem: 18505
smiles: CC(CCl)(Cl)Cl
inchikey: DAIIXVPKQATIMF-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 122TClC3a

enrofloxacine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 93106-60-6
formula: C19H22FN3O3
inchi: InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)
iupac name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid @en
pubchem: 71188
inchikey: SPFYMRJSYKOXGV-UHFFFAOYSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: enrfxcne

dichloor
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR III (D3) 'chloorgas, uitgedrukt als Cl2'
comment: VLAR II (D5)
comment: VLAR III (D3) 'chloorgas'
comment: VLAR II bijl. 4.4.2 'chloorgas'
comment: VLAR III (D3) 'chloor, uitgedrukt als Cl2'
comment: VLAR II bijl. 2.5.1
cas number: 7782-50-5
formula: Cl2
inchi: InChI=1S/Cl2/c1-2
iupac name: Molecular chlorine @en
pubchem: 24526
smiles: ClCl
inchikey: KZBUYRJDOAKODT-UHFFFAOYSA-N
is referenced by: LUC III 002
alternative label: chloor
broader: CHEMONTID_0000432
in scheme: Conceptschema Chemische Stoffen
notation: Cl2

pindolol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 13523-86-9
cas number: 21870-06-4
formula: C14H20N2O2
inchi: InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
iupac name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol @en
pubchem: 4828
smiles: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
inchikey: JZQKKSLKJUAGIC-UHFFFAOYSA-N
broader: CHEMONTID_0002497
in scheme: Conceptschema Chemische Stoffen
notation: pindll

dodecyldimethylbenzylammoniumbromide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7281-04-1
formula: C21H38BrN
inchi: InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
iupac name: benzyl-dodecyl-dimethylazanium bromide @en
pubchem: 23705
smiles: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
inchikey: KHSLHYAUZSPBIU-UHFFFAOYSA-M
broader: CHEMONTID_0003976
in scheme: Conceptschema Chemische Stoffen
notation: DDBAB

hexadecyltrimethylammoniumchloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 139272-33-6
cas number: 79728-63-5
cas number: 68002-63-1
cas number: 112-02-7
cas number: 53023-95-3
cas number: 146909-27-5
formula: C19H42ClN
inchi: InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
iupac name: hexadecyl-trimethylazanium chloride @en
pubchem: 8154
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
inchikey: WOWHHFRSBJGXCM-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: C16ylTC1ylNH

pyridafol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 40020-01-7
formula: C10H7ClN2O
inchi: InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)
iupac name: 6-chloro-3-phenyl-1H-pyridazin-4-one @en
pubchem: 92316
smiles: C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl
inchikey: ZUSHSDOEVHPTCU-UHFFFAOYSA-N
broader: CHEMONTID_0004147
in scheme: Conceptschema Chemische Stoffen
notation: pyrdfl

procymidon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68444-90-6
cas number: 60120-20-9
cas number: 32809-16-8
formula: C13H11Cl2NO2
inchi: InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3
iupac name: 3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione @en
pubchem: 36242
inchikey: QXJKBPAVAHBARF-UHFFFAOYSA-N
broader: CHEMONTID_0000303
in scheme: Conceptschema Chemische Stoffen
notation: procmdn

atorvastatine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 134523-00-5
formula: C33H35FN2O5
inchi: InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
iupac name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid @en
pubchem: 60823
inchikey: XUKUURHRXDUEBC-KAYWLYCHSA-N
broader: CHEMONTID_0002695
in scheme: Conceptschema Chemische Stoffen
notation: atvttne

natriumhypochloriet
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7681-52-9
cas number: 227453-69-2
cas number: 8007-59-8
cas number: 56172-57-7
formula: ClNaO
inchi: InChI=1S/ClO.Na/c1-2;/q-1;+1
iupac name: SODIUM HYPOCHLORITE @en
pubchem: 24340
smiles: [O-]Cl.[Na+]
inchikey: SUKJFIGYRHOWBL-UHFFFAOYSA-N
broader: CHEMONTID_0000640
in scheme: Conceptschema Chemische Stoffen
notation: NaOCl

cumeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 4.4.2
cas number: 68333-89-1
cas number: 144637-93-4
cas number: 172867-64-0
cas number: 56748-62-0
cas number: 63849-49-0
cas number: 98444-30-5
cas number: 68411-37-0
cas number: 9044-64-8
cas number: 40494-15-3
cas number: 58033-91-3
cas number: 86090-91-7
cas number: 9055-91-8
cas number: 172641-48-4
cas number: 60120-16-3
cas number: 55465-00-4
cas number: 60880-98-0
cas number: 53112-49-5
cas number: 39470-87-6
cas number: 52932-49-7
cas number: 57657-06-4
cas number: 61584-90-5
cas number: 61584-89-2
cas number: 12627-11-1
cas number: 51609-83-7
cas number: 120037-99-2
cas number: 98-82-8
cas number: 51609-87-1
cas number: 11120-46-0
cas number: 105270-05-1
cas number: 56451-72-0
cas number: 117079-77-3
cas number: 53986-84-8
cas number: 55128-06-8
cas number: 68553-94-6
cas number: 60328-46-3
cas number: 54596-41-7
cas number: 81834-12-0
formula: C9H12
inchi: InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
iupac name: cumene @en
pubchem: 7406
smiles: CC(C)C1=CC=CC=C1
inchikey: RWGFKTVRMDUZSP-UHFFFAOYSA-N
is referenced by: LUC IV 001
is referenced by: LUC IV 000
is referenced by: LUC IV 011
alternative label: isopropylbenzeen
alternative label: isopropylbenzeen (cumeen)
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: cumn

malononitril
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 109-77-3
cas number: 144804-99-9
formula: C3H2N2
inchi: InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
iupac name: Propanedinitrile @en
pubchem: 8010
smiles: C(C#N)C#N
inchikey: CUONGYYJJVDODC-UHFFFAOYSA-N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: malnntl

lactose
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13360-52-6
cas number: 63-42-3
cas number: 69-79-4
cas number: 16462-44-5
cas number: 528-50-7
formula: C12H22O11
inchi: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2
iupac name: 2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol @en
pubchem: 294
inchikey: GUBGYTABKSRVRQ-UHFFFAOYSA-N
broader: CHEMONTID_0002207
in scheme: Conceptschema Chemische Stoffen
notation: lactse

2-methyl-4-chloorfenoxyboterzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 94-81-5
formula: C11H13ClO3
inchi: InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
iupac name: 4-(4-Chloro-2-methylphenoxy)butanoic acid @en
pubchem: 7207
smiles: CC1=C(C=CC(=C1)Cl)OCCCC(=O)O
inchikey: LLWADFLAOKUBDR-UHFFFAOYSA-N
alternative label: 4-(4-chloor-2-methylfenoxy)boterzuur
alternative label: 4-(4-chloro-2-methylfenoxy)boterzuur (mcpb)
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: MCPB

decylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 27157-66-0
formula: C16H26O
inchi: InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3
iupac name: 2-decylphenol @en
pubchem: 3032831
smiles: CCCCCCCCCCC1=CC=CC=C1O
inchikey: FDIPWBUDOCPIMH-UHFFFAOYSA-N
broader: CHEMONTID_0004647
in scheme: Conceptschema Chemische Stoffen

gemfibrozil
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 25812-30-0
formula: C15H22O3
inchi: InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
iupac name: 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid @en
pubchem: 3463
smiles: CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O
inchikey: HEMJJKBWTPKOJG-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: gemfbzl

gadodiamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 131410-48-5
formula: C16H26GdN5O8
inchi: InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3
iupac name: 2-[bis[2-[(2-methylamino-2-oxoethyl)-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation @en
pubchem: 153921
smiles: CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
inchikey: HZHFFEYYPYZMNU-UHFFFAOYSA-K
broader: CHEMONTID_0002309
in scheme: Conceptschema Chemische Stoffen
notation: gaddamde

octadecanal
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 638-66-4
formula: C18H36O
inchi: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
iupac name: Octadecanal @en
pubchem: 12533
smiles: CCCCCCCCCCCCCCCCCC=O
inchikey: FWWQKRXKHIRPJY-UHFFFAOYSA-N
broader: CHEMONTID_0000298
in scheme: Conceptschema Chemische Stoffen
notation: C18al

5-isopropyl-2-methylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 499-75-2
formula: C10H14O
inchi: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
iupac name: 2-methyl-5-propan-2-ylphenol @en
pubchem: 10364
smiles: CC1=C(C=C(C=C1)C(C)C)O
inchikey: RECUKUPTGUEGMW-UHFFFAOYSA-N
broader: CHEMONTID_0000051
in scheme: Conceptschema Chemische Stoffen
notation: 5iC3y2C1yFol

fluazifop-butyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 69806-50-4
cas number: 86334-14-7
formula: C19H20F3NO4
inchi: InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3
iupac name: butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
pubchem: 50897
inchikey: VAIZTNZGPYBOGF-UHFFFAOYSA-N
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: fluazfC4y

di-isopentylftalaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 605-50-5
formula: C18H26O4
inchi: InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
iupac name: bis(3-methylbutyl) benzene-1,2-dicarboxylate @en
pubchem: 69059
smiles: CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C
inchikey: JANBFCARANRIKJ-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen

6:2 fluortelomeerfosfaat diester
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 57677-95-9
formula: C16H9F26O4P
inchi: InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)
iupac name: bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate @en
pubchem: 14550408
inchikey: ZDYYWMSLMLTXDM-UHFFFAOYSA-N
broader: CHEMONTID_0003459
in scheme: Conceptschema Chemische Stoffen
notation: 6:2 diPAP

sulfentrazon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 111991-58-3
cas number: 122836-35-5
formula: C11H10Cl2F2N4O3S
iupac name: N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide @en
pubchem: 86369
inchikey: OORLZFUTLGXMEF-UHFFFAOYSA-N
broader: CHEMONTID_0003314
in scheme: Conceptschema Chemische Stoffen
notation: sulfntzn

desethylterbutylazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 30125-63-4
formula: C7H12ClN5
inchi: InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)
iupac name: N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine @en
pubchem: 108201
smiles: CC(C)(C)NC1=NC(=NC(=N1)N)Cl
inchikey: LMKQNTMFZLAJDV-UHFFFAOYSA-N
broader: CHEMONTID_0001693
in scheme: Conceptschema Chemische Stoffen
notation: desC2ytC4yaz

benzoxoniumchloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 19379-90-9
formula: C23H42ClNO2
inchi: InChI=1S/C23H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;1H/q+1;/p-1
iupac name: benzyl-dodecyl-bis(2-hydroxyethyl)azanium chloride @en
pubchem: 29563
smiles: CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.[Cl-]
inchikey: UUSQFLGKGQEVCM-UHFFFAOYSA-M
broader: CHEMONTID_0000185
in scheme: Conceptschema Chemische Stoffen
notation: benzxnuCl

perfluoroctaanzuur, natriumzout
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 335-95-5
formula: C8F15NaO2
inchi: InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1
iupac name: sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate @en
pubchem: 67637
inchikey: LWHQXUODFPPQTL-UHFFFAOYSA-M
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFOA_Na

1,4-dihydroxybenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 123-31-9
cas number: 57534-13-1
cas number: 8027-02-9
formula: C6H6O2
inchi: InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
iupac name: Benzene-1,4-diol @en
pubchem: 785
smiles: C1=CC(=CC=C1O)O
inchikey: QIGBRXMKCJKVMJ-UHFFFAOYSA-N
broader: CHEMONTID_0000136
in scheme: Conceptschema Chemische Stoffen
notation: 14DHOxBen

naftaleen-1,3,6-trisulfonaat,natriumzout
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 19437-42-4
formula: C10H7NaO9S3
inchi: InChI=1S/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1
iupac name: sodium 3,6-disulfonaphthalene-1-sulfonate @en
pubchem: 88066
inchikey: BERQWQSQOIEUMA-UHFFFAOYSA-M
broader: CHEMONTID_0003601
in scheme: Conceptschema Chemische Stoffen
notation: Naf136TsfntN

1,1-dichloor-1,2,3,3,3-pentafluorpropaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 111512-56-2
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-2(5,7)1(6)3(8,9)10/h1H
iupac name: 1,1-DICHLORO-1,2,3,3,3-PENTAFLUOROPROPANE @en
pubchem: 62310
smiles: C(C(F)(F)F)(C(F)(Cl)Cl)F
inchikey: YERASKROMPMIBM-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225eb

thiometon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 640-15-3
formula: C6H15O2PS3
inchi: InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3
iupac name: 2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidenephosphorane @en
pubchem: 12541
smiles: CCSCCSP(=S)(OC)OC
inchikey: OPASCBHCTNRLRM-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: tomtn

chloralose
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15879-93-3
formula: C8H11Cl3O6
inchi: InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2?,3-,4+,5+,6?,7+/m0/s1
iupac name: 1-[(2R,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]ethane-1,2-diol @en
pubchem: 27525
smiles: C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O
inchikey: OJYGBLRPYBAHRT-OPKHMCHVSA-N
broader: CHEMONTID_0001540
in scheme: Conceptschema Chemische Stoffen
notation: chlorlse

natrium 22
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13966-32-0
formula: Na
inchi: InChI=1S/Na/i1-1
iupac name: sodium-22 @en
pubchem: 6328543
smiles: [Na]
inchikey: KEAYESYHFKHZAL-BJUDXGSMSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Na22

haloxyfop
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 69806-34-4
cas number: 69806-86-6
formula: C15H10ClF3NNaO4
iupac name: sodium 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
pubchem: 3053343
inchikey: DUZVBQWEFKXWJM-UHFFFAOYSA-M
broader: CHEMONTID_0004674
in scheme: Conceptschema Chemische Stoffen
notation: halOxfp

1-propylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 103-65-1
cas number: 74296-31-4
formula: C9H12
inchi: InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
iupac name: Propylbenzene @en
pubchem: 7668
smiles: CCCC1=CC=CC=C1
inchikey: ODLMAHJVESYWTB-UHFFFAOYSA-N
alternative label: n-propylbenzeen
alternative label: propylbenzeen
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 1C3yBen

2,4,6-trichloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 35693-92-6
formula: C12H7Cl3
inchi: InChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H
iupac name: 1,3,5-trichloro-2-phenylbenzene @en
pubchem: 37247
smiles: C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl
inchikey: MTLMVEWEYZFYTH-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB30

3,4-dichlooraniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-76-1
formula: C6H5Cl2N
inchi: InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
iupac name: 3,4-Dichloroaniline @en
pubchem: 7257
smiles: C1=CC(=C(C=C1N)Cl)Cl
inchikey: SDYWXFYBZPNOFX-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 34DClAn

trichloorazijnzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 76-03-9
formula: C2HCl3O2
inchi: InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
iupac name: 2,2,2-trichloroacetic acid @en
pubchem: 6421
smiles: C(=O)(C(Cl)(Cl)Cl)O
inchikey: YNJBWRMUSHSURL-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: TClHAc

2,4-dibroomanisol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 21702-84-1
formula: C7H6Br2O
inchi: InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
iupac name: 2,4-dibromo-1-methoxybenzene @en
pubchem: 27011
smiles: COC1=C(C=C(C=C1)Br)Br
inchikey: XGXUGXPKRBQINS-UHFFFAOYSA-N
broader: CHEMONTID_0000138
in scheme: Conceptschema Chemische Stoffen
notation: 24DBransl

p-chloorfenylisocyanaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 104-12-1
formula: C7H4ClNO
inchi: InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
iupac name: 1-Chloro-4-isocyanatobenzene @en
pubchem: 7693
smiles: C1=CC(=CC=C1N=C=O)Cl
inchikey: ADAKRBAJFHTIEW-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: pClFyiCN

dimethylnitrosamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 62-75-9
formula: C2H6N2O
inchi: InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3
iupac name: N,N-dimethylnitrous amide @en
pubchem: 6124
smiles: CN(C)N=O
inchikey: UMFJAHHVKNCGLG-UHFFFAOYSA-N
broader: CHEMONTID_0004777
in scheme: Conceptschema Chemische Stoffen
notation: DC1yNOAe

mustine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 51-75-2
formula: C5H11Cl2N
inchi: InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
iupac name: 2-Chloro-N-(2-chloroethyl)-N-methylethanamine @en
pubchem: 4033
smiles: CN(CCCl)CCCl
inchikey: HAWPXGHAZFHHAD-UHFFFAOYSA-N
broader: CHEMONTID_0000398
in scheme: Conceptschema Chemische Stoffen
notation: mustne

oxychloordaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 26880-48-8
cas number: 27304-13-8
formula: C10H4Cl8O
inchi: InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H
iupac name: 1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene @en
pubchem: 33772
inchikey: VWGNQYSIWFHEQU-UHFFFAOYSA-N
alternative label: oxychlordaan
broader: CHEMONTID_0002012
in scheme: Conceptschema Chemische Stoffen
notation: OxCldn

2,3-dimethylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 526-75-0
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
iupac name: 2,3-Dimethylphenol @en
pubchem: 10687
smiles: CC1=C(C(=CC=C1)O)C
inchikey: QWBBPBRQALCEIZ-UHFFFAOYSA-N
broader: CHEMONTID_0001274
in scheme: Conceptschema Chemische Stoffen
notation: 23DC1yFol

2,2-dimethoxypropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 77-76-9
formula: C5H12O2
inchi: InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3
iupac name: 2,2-Dimethoxypropane @en
pubchem: 6495
smiles: CC(C)(OC)OC
inchikey: HEWZVZIVELJPQZ-UHFFFAOYSA-N
broader: CHEMONTID_0004472
in scheme: Conceptschema Chemische Stoffen
notation: 22DC1oxC3a

tricresylfosfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1330-78-5
cas number: 78-32-0
formula: C21H21O4P
inchi: InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3
iupac name: tris(4-methylphenyl) phosphate @en
pubchem: 6529
inchikey: BOSMZFBHAYFUBJ-UHFFFAOYSA-N
alternative label: tri-p-cresylfosfaat
broader: CHEMONTID_0004619
in scheme: Conceptschema Chemische Stoffen
notation: TcsPO4
notation: TpcsPO4

didecylftalaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 84-77-5
formula: C28H46O4
inchi: InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
iupac name: didecyl benzene-1,2-dicarboxylate @en
pubchem: 6788
inchikey: PGIBJVOPLXHHGS-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC10yFt

ijzeroxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1345-25-1
formula: FeO
inchi: InChI=1S/Fe.O
iupac name: oxoiron @en
pubchem: 14945
smiles: O=[Fe]
inchikey: UQSXHKLRYXJYBZ-UHFFFAOYSA-N
broader: CHEMONTID_0000538
in scheme: Conceptschema Chemische Stoffen
notation: FeO

benzthiazuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1929-88-0
formula: C9H9N3OS
inchi: InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)
iupac name: 1-(1,3-Benzothiazol-2-yl)-3-methylurea @en
pubchem: 16007
smiles: CNC(=O)NC1=NC2=CC=CC=C2S1
inchikey: DTCJYIIKPVRVDD-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: benztazrn

som tertiair-octylfenol-isomeren
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 30105-54-5
cas number: 209859-96-1
cas number: 3884-95-5
cas number: 62744-41-6
cas number: 27193-28-8
cas number: 29932-96-5
cas number: 1322-69-6
formula: C14H22O
inchi: InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9,15H,10H2,1-5H3
iupac name: 2-(2,4,4-trimethylpentan-2-yl)phenol @en
pubchem: 62530
smiles: CC(C)(C)CC(C)(C)C1=CC=CC=C1O
inchikey: XSXWOBXNYNULJG-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: sttC8yFol

flubenzimine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 37893-02-0
formula: C17H10F6N4S
inchi: InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H
iupac name: N2,3-di(phenyl)-N4,N5-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine @en
pubchem: 91625
inchikey: IZFZCMFMJKDHJZ-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: flubzmne

2,3,4,4',5-pentachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 74472-37-0
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H
iupac name: 1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene @en
pubchem: 53036
inchikey: SXZSFWHOSHAKMN-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 2,3,4,4',5-pentachloorbifenyl (pcb114)
alternative label: pcb 114
alternative label: PCB 114
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB114

di-ethylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 4.4.2
cas number: 70131-58-7
cas number: 69013-19-0
cas number: 69227-20-9
cas number: 74446-43-8
cas number: 7578-39-4
cas number: 71011-10-4
cas number: 68991-48-0
cas number: 60-29-7
formula: C4H10O
inchi: InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
iupac name: Ethoxyethane @en
pubchem: 3283
smiles: CCOCC
inchikey: RTZKZFJDLAIYFH-UHFFFAOYSA-N
is referenced by: LUC IV 008
is referenced by: LUC IV 011
is referenced by: LUC IV 000
alternative label: diethylether
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: DC2yEtr

niobium 94
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14681-63-1
formula: Nb
inchi: InChI=1S/Nb/i1+1
iupac name: niobium-94 @en
pubchem: 115134
smiles: [Nb]
inchikey: GUCVJGMIXFAOAE-OUBTZVSYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Nb94

telodrin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 297-78-9
formula: C9H4Cl8O
inchi: InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H
iupac name: 1,3,5,7,8,9,10,10-octachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene @en
pubchem: 9271
inchikey: LRWHHSXTGZSMSN-UHFFFAOYSA-N
broader: CHEMONTID_0002648
in scheme: Conceptschema Chemische Stoffen
notation: teldn

gamma-ergostenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 516-78-9
cas number: 17105-75-8
formula: C28H48O
inchi: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3
iupac name: 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
pubchem: 86509
inchikey: PUGBZUWUTZUUCP-UHFFFAOYSA-N
broader: CHEMONTID_0001403
in scheme: Conceptschema Chemische Stoffen
notation: gergsnl

hexamethyleendiisocyanaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 66368-96-5
cas number: 63525-90-6
cas number: 243121-01-9
cas number: 57350-77-3
cas number: 88357-62-4
cas number: 822-06-0
cas number: 133394-59-9
cas number: 280144-19-6
cas number: 53192-27-1
formula: C8H12N2O2
inchi: InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
iupac name: 1,6-Diisocyanatohexane @en
pubchem: 13192
smiles: C(CCCN=C=O)CCN=C=O
inchikey: RRAMGCGOFNQTLD-UHFFFAOYSA-N
broader: CHEMONTID_0000501
in scheme: Conceptschema Chemische Stoffen
notation: HxC1yeDiCN

ytterbium 175
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14041-44-2
formula: Yb
inchi: InChI=1S/Yb/i1+2
iupac name: ytterbium-175 @en
pubchem: 161018
smiles: [Yb]
inchikey: NAWDYIZEMPQZHO-NJFSPNSNSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Yb175

1-(4-isopropylfenyl)-3-methylureum
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 34123-57-4
formula: C11H16N2O
inchi: InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)
iupac name: 3-methyl-1-(4-propan-2-ylphenyl)urea @en
pubchem: 182167
smiles: CC(C)C1=CC=C(C=C1)NC(=O)NC
inchikey: DOULWWSSZVEPIN-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: 14iC3yFy3C1y

1-(3,4-dichloorfenyl)-3-methylureum
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3567-62-2
formula: C8H8Cl2N2O
inchi: InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
iupac name: 1-(3,4-Dichlorophenyl)-3-methylurea @en
pubchem: 19113
smiles: CNC(=O)NC1=CC(=C(C=C1)Cl)Cl
inchikey: IDQHRQQSSQDLTR-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: 134DClFy3C1y

tributyltinacetaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 56-36-0
formula: 0
inchi: InChI=1S/3C4H9.C2H3O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3;
iupac name: Tributylstannyl acetate @en
smiles: 0
inchikey: NCMLSPGQECDTSJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: TC4ySnactt

malachietgroen-oxalaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2437-29-8
formula: C52H54N4O12
inchi: InChI=1S/2C23H25N2.3C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2
iupac name: [4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium; 2-hydroxy-2-oxoacetate; oxalic acid @en
pubchem: 2724411
smiles: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O
inchikey: CNYGFPPAGUCRIC-UHFFFAOYSA-L
in scheme: Conceptschema Chemische Stoffen
notation: malcgoxlt

acetylsulfamethoxazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 21312-10-7
formula: C12H13N3O4S
inchi: InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
iupac name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide @en
pubchem: 65280
inchikey: GXPIUNZCALHVBA-UHFFFAOYSA-N
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: actsfmtozl

primidon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 125-33-7
formula: C12H14N2O2
inchi: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
iupac name: 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione @en
pubchem: 4909
smiles: CCC1(C(=O)NCNC1=O)C2=CC=CC=C2
inchikey: DQMZLTXERSFNPB-UHFFFAOYSA-N
broader: CHEMONTID_0002202
in scheme: Conceptschema Chemische Stoffen
notation: primdn

oryzalin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 19044-88-3
formula: C12H18N4O6S
inchi: InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)
iupac name: 4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide @en
pubchem: 29393
smiles: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]
inchikey: UNAHYJYOSSSJHH-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: orzln

N,N-dimethyl-1-dodecaanamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 83855-86-1
cas number: 52622-54-5
cas number: 68391-04-8
cas number: 112-18-5
cas number: 68390-97-6
formula: C14H31N
inchi: InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
iupac name: N,N-dimethyldodecan-1-amine @en
pubchem: 8168
smiles: CCCCCCCCCCCCN(C)C
inchikey: YWFWDNVOPHGWMX-UHFFFAOYSA-N
alternative label: n,n-dimethyl-1-dodecaanamine
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
notation: NNDC1y1C12aA

1,2,3,4,5,7,7-heptachloor-bicyclo(2.2.1)-2-hepteen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 5202-36-8
cas number: 2440-02-0
formula: C7H3Cl7
inchi: InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h2H,1H2
iupac name: 1,2,3,4,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene @en
pubchem: 98482
smiles: C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl
inchikey: FCMVPUGRXPEIQX-UHFFFAOYSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: 1234577HpClb

2-methylpentaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 73513-42-5
cas number: 107-83-5
formula: C6H14
inchi: InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
iupac name: 2-Methylpentane @en
pubchem: 7892
smiles: CCCC(C)C
inchikey: AFABGHUZZDYHJO-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC5a

arsenocholine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 39895-81-3
formula: C5H14AsO+
inchi: InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
iupac name: 2-hydroxyethyl-trimethylarsanium @en
pubchem: 104820
smiles: C[As+](C)(C)CCO
inchikey: ORLOBEXOFQEWFQ-UHFFFAOYSA-N
broader: CHEMONTID_0004280
in scheme: Conceptschema Chemische Stoffen

2,4,4-trimethyl-2-penteen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 107-40-4
formula: C8H16
inchi: InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3
iupac name: 2,4,4-Trimethylpent-2-ene @en
pubchem: 7869
smiles: CC(=CC(C)(C)C)C
inchikey: LAAVYEUJEMRIGF-UHFFFAOYSA-N
broader: CHEMONTID_0004622
in scheme: Conceptschema Chemische Stoffen
notation: 244TC1y2C5e

methanolacrylamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 90456-67-0
cas number: 194091-52-6
cas number: 924-42-5
cas number: 176598-18-8
cas number: 160278-55-7
formula: C4H7NO2
inchi: InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)
iupac name: N-(hydroxymethyl)prop-2-enamide @en
pubchem: 13543
smiles: C=CC(=O)NCO
inchikey: CNCOEDDPFOAUMB-UHFFFAOYSA-N
broader: CHEMONTID_0004450
in scheme: Conceptschema Chemische Stoffen
notation: C1olacAd

3,4,5-trimethylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 527-54-8
formula: C9H12O
inchi: InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3
iupac name: 3,4,5-Trimethylphenol @en
pubchem: 10696
smiles: CC1=CC(=CC(=C1C)C)O
inchikey: FDQQNNZKEJIHMS-UHFFFAOYSA-N
broader: CHEMONTID_0001275
in scheme: Conceptschema Chemische Stoffen
notation: 345TC1yFol

perfluor-n-heptaanzuur (pfhpa)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 80856-39-9
cas number: 375-85-9
cas number: 6130-43-4
formula: C7H4F13NO2
inchi: InChI=1S/C7HF13O2.H3N/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20;/h(H,21,22);1H3
iupac name: azane; 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid @en
pubchem: 80210
inchikey: JVZREVRTMWNFME-UHFFFAOYSA-N
alternative label: perfluor-n-heptaanzuur
alternative label: perfluorheptaanzuur
alternative label: perfluorheptaanzuur (pfhpa)
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFHpA

iso-propylglycidylether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 126753-03-5
cas number: 4016-14-2
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3
iupac name: 2-(propan-2-yloxymethyl)oxirane @en
pubchem: 19920
smiles: CC(C)OCC1CO1
inchikey: NWLUZGJDEZBBRH-UHFFFAOYSA-N
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
notation: iC3yDgcdE

1-hexadecanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55069-45-9
cas number: 36653-82-4
cas number: 8014-51-5
cas number: 8032-89-1
cas number: 124-29-8
cas number: 8023-37-8
cas number: 8032-16-4
cas number: 36311-34-9
cas number: 8032-17-5
formula: C16H34O
inchi: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
iupac name: Hexadecan-1-ol @en
pubchem: 2682
smiles: CCCCCCCCCCCCCCCCO
inchikey: BXWNKGSJHAJOGX-UHFFFAOYSA-N
broader: CHEMONTID_0002951
in scheme: Conceptschema Chemische Stoffen
notation: 1C16ol

3,3'-dimethoxybenzidine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 119-90-4
cas number: 59777-10-5
formula: C14H16N2O2
inchi: InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
iupac name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline @en
pubchem: 8411
smiles: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
inchikey: JRBJSXQPQWSCCF-UHFFFAOYSA-N
broader: CHEMONTID_0003956
in scheme: Conceptschema Chemische Stoffen
notation: 33DC1oxbzdne

1-hexadecylpyridinium chloride monohydraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6004-24-6
formula: C21H40ClNO
iupac name: 1-hexadecylpyridin-1-ium chloride hydrate @en
pubchem: 22324
smiles: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]
inchikey: NFCRBQADEGXVDL-UHFFFAOYSA-M
broader: CHEMONTID_0001764
in scheme: Conceptschema Chemische Stoffen
notation: 1C16yprdnClH

benzyladenine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3458-19-3
cas number: 1214-39-7
cas number: 124786-41-0
formula: C12H11N5
inchi: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
iupac name: N-(phenylmethyl)-7H-purin-6-amine @en
pubchem: 62389
smiles: C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
inchikey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N
broader: CHEMONTID_0003454
in scheme: Conceptschema Chemische Stoffen
notation: benzadnne

dikegulac
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 28300-95-0
cas number: 49813-52-7
cas number: 131400-21-0
cas number: 136881-53-3
cas number: 64040-42-2
cas number: 59795-40-3
cas number: 129607-69-8
cas number: 3768-13-6
cas number: 27708-72-1
cas number: 36058-05-6
cas number: 26996-98-5
cas number: 18467-77-1
cas number: 72349-14-5
formula: C12H18O7
inchi: InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)
iupac name: 4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid @en
pubchem: 72085
inchikey: FWCBATIDXGJRMF-UHFFFAOYSA-N
broader: CHEMONTID_0004472
in scheme: Conceptschema Chemische Stoffen
notation: Dikglc

4-pentylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 65916-15-6
cas number: 14938-35-3
formula: C11H16O
inchi: InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3
iupac name: 4-PENTYLPHENOL @en
pubchem: 26975
smiles: CCCCCC1=CC=C(C=C1)O
inchikey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N
alternative label: 4-n-pentylfenol
broader: CHEMONTID_0004646
in scheme: Conceptschema Chemische Stoffen
notation: 4C5yFt

perfluor-n-decaansulfonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 335-77-3
formula: C10HF21O3S
inchi: InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid @en
pubchem: 67636
inchikey: HYWZIAVPBSTISZ-UHFFFAOYSA-N
alternative label: perfluordecaansulfonzuur (pfds)
alternative label: perfluor-n-decaansulfonzuur (pfds)
alternative label: perfluor-1-decaansulfonzuur
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
notation: L_PFDS
notation: PFDS

penconazole
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 87501-25-5
cas number: 66246-88-6
formula: C13H15Cl2N3
inchi: InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
iupac name: 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole @en
pubchem: 91693
smiles: CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl
inchikey: WKBPZYKAUNRMKP-UHFFFAOYSA-N
alternative label: penconazool
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: pencnzl

neodecaanzuur ethenylester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 51000-52-3
cas number: 17756-73-9
formula: C12H22O2
inchi: InChI=1S/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3
iupac name: ethenyl 7,7-dimethyloctanoate @en
pubchem: 162097
smiles: CC(C)(C)CCCCCC(=O)OC=C
inchikey: TVFJAZCVMOXQRK-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: neoC10azetnE

heneicosaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2363-71-5
formula: C21H42O2
iupac name: Henicosanoic acid @en
pubchem: 16898
smiles: CCCCCCCCCCCCCCCCCCCCC(=O)O
inchikey: CKDDRHZIAZRDBW-UHFFFAOYSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: C21azr

1,3-difenylguanidine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 39291-21-9
cas number: 55556-10-0
cas number: 102-06-7
cas number: 25323-69-7
cas number: 33505-70-3
formula: C13H13N3
inchi: InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
iupac name: 1,2-di(phenyl)guanidine @en
pubchem: 7594
smiles: C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N
inchikey: OWRCNXZUPFZXOS-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 13DFygandne

2,4-bis(1-fenylethyl)fenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2769-94-0
cas number: 25640-70-4
formula: C22H22O
inchi: InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3
iupac name: 2,4-Bis(1-phenylethyl)phenol @en
pubchem: 102877
inchikey: RCFAHSGZAAFQJH-UHFFFAOYSA-N
broader: CHEMONTID_0002651
in scheme: Conceptschema Chemische Stoffen
notation: 24bis1FyC2yF

hexachloorcyclopentadieen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 77-47-4
formula: C5Cl6
inchi: InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8
iupac name: 1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene @en
pubchem: 6478
smiles: C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl
inchikey: VUNCWTMEJYMOOR-UHFFFAOYSA-N
alternative label: hexachloorcyclopentadieen (hccpd)
alternative label: hexachloorcyclopentadieen (HCCPD)
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: HCCPD

bis(butyleen)tetrahydrofuraldehyde
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 126-15-8
formula: C13H16O2
inchi: InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2
iupac name: 4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde @en
pubchem: 31341
smiles: C1C=CCC2C1C3CC=CCC3(O2)C=O
inchikey: XNYGOEGATLFFOX-UHFFFAOYSA-N
broader: CHEMONTID_0002648
in scheme: Conceptschema Chemische Stoffen
notation: bisC4yeT4HfA

fenkapton
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2275-14-1
formula: C11H15Cl2O2PS3
iupac name: (2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
pubchem: 16773
smiles: CCOP(=S)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl
inchikey: GGNLTHFTYNDYNK-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: febktn

azoxystrobin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 215934-32-0
cas number: 131860-33-8
formula: C22H17N3O5
inchi: InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
iupac name: methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate @en
pubchem: 3034285
inchikey: WFDXOXNFNRHQEC-GHRIWEEISA-N
broader: CHEMONTID_0004203
in scheme: Conceptschema Chemische Stoffen
notation: azoxsbn

antrachinon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 790240-52-7
cas number: 84-65-1
formula: C14H8O2
inchi: InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
iupac name: anthracene-9,10-dione @en
pubchem: 6780
smiles: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O
inchikey: RZVHIXYEVGDQDX-UHFFFAOYSA-N
broader: CHEMONTID_0000151
in scheme: Conceptschema Chemische Stoffen
notation: antcnn

5-hydroxythiabendazole
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 948-71-0
formula: C10H7N3OS
inchi: InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)
iupac name: 2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol @en
pubchem: 108227
smiles: C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3
inchikey: VNENJHUOPQAPAT-UHFFFAOYSA-N
broader: CHEMONTID_0000294
in scheme: Conceptschema Chemische Stoffen
notation: 5HOxtabdzle

levetiracetam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 102767-28-2
formula: C8H14N2O2
inchi: InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1
iupac name: (2R)-2-(2-oxopyrrolidin-1-yl)butanamide @en
pubchem: 441341
smiles: CCC(C(=O)N)N1CCCC1=O
inchikey: HPHUVLMMVZITSG-ZCFIWIBFSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: levtrctm

2-chloor-2-propeen-ol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 5976-47-6
formula: C3H5ClO
inchi: InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2
iupac name: 2-chloroprop-2-en-1-ol @en
pubchem: 80076
smiles: C=C(CO)Cl
inchikey: OSCXYTRISGREIM-UHFFFAOYSA-N
broader: CHEMONTID_0002608
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl2C3eol

1-amino-2-methylanthraquinon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 82-28-0
formula: C15H11NO2
inchi: InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3
iupac name: 1-amino-2-methylanthracene-9,10-dione @en
pubchem: 6702
smiles: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N
inchikey: ZLCUIOWQYBYEBG-UHFFFAOYSA-N
broader: CHEMONTID_0000151
in scheme: Conceptschema Chemische Stoffen
notation: 1Ao2C1yatqnn

perfluorhexaansulfonzuur (pfhxs)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 355-46-4
formula: C6HF13O3S
inchi: InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid @en
pubchem: 67734
inchikey: QZHDEAJFRJCDMF-UHFFFAOYSA-N
alternative label: perfluor-n-hexaansulfonzuur (pfhxs)
alternative label: perfluor-n-hexaansulfonzuur
alternative label: perfluorhexaansulfonzuur
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
notation: L_PFHxS
notation: PFHxS

cis-2-butenal
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15798-64-8
cas number: 123-73-9
formula: C4H6O
inchi: InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
iupac name: (E)-but-2-enal @en
pubchem: 447466
smiles: CC=CC=O
inchikey: MLUCVPSAIODCQM-NSCUHMNNSA-N
alternative label: trans-2-butenal
broader: CHEMONTID_0002436
in scheme: Conceptschema Chemische Stoffen
notation: c2C4eal
notation: crotAh

landrin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 12407-86-2
cas number: 2655-15-4
cas number: 58784-13-7
formula: C11H15NO2
inchi: InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)
iupac name: (2,3,5-trimethylphenyl) N-methylcarbamate @en
pubchem: 25550
smiles: CC1=CC(=C(C(=C1)OC(=O)NC)C)C
inchikey: NYOKZHDTNBDPOB-UHFFFAOYSA-N
alternative label: 2,3,5-trimethacarb
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: 235Tmtcb
notation: landn

boortrichloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 31012-04-1
cas number: 10294-34-5
cas number: 37226-51-0
formula: BCl3
inchi: InChI=1S/BCl3/c2-1(3)4
iupac name: Trichloroborane @en
pubchem: 25135
smiles: B(Cl)(Cl)Cl
inchikey: FAQYAMRNWDIXMY-UHFFFAOYSA-N
broader: CHEMONTID_0000583
in scheme: Conceptschema Chemische Stoffen
notation: BTCl

cyanide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 57-12-5
cas number: 373-51-3
formula: CN-
inchi: InChI=1S/CN/c1-2/q-1
iupac name: Cyanide @en
pubchem: 5975
smiles: [C-]#N
inchikey: XFXPMWWXUTWYJX-UHFFFAOYSA-N
is referenced by: CMA 2 I C.2.3
is referenced by: WAC III C 030
is referenced by: WAC III D 036
is referenced by: CMA 2 I C.2.1
is referenced by: CMA 2 I C.2.2
broader: CHEMONTID_0000553
in scheme: Conceptschema Chemische Stoffen
notation: CN

cymoxanil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 93195-85-8
cas number: 57966-95-7
formula: C7H10N4O3
inchi: InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+
iupac name: 2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide @en
pubchem: 5364079
smiles: CCNC(=O)NC(=O)C(=NOC)C#N
inchikey: XERJKGMBORTKEO-VZUCSPMQSA-N
broader: CHEMONTID_0001010
in scheme: Conceptschema Chemische Stoffen
notation: cymOanl

bromocyclen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1715-40-8
formula: C8H5BrCl6
inchi: InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2
iupac name: 6-(bromomethyl)-1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene @en
pubchem: 15583
smiles: C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CBr
inchikey: DAASOABUJRMZAD-UHFFFAOYSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: Brccn

flucythrinaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 70124-77-5
cas number: 71611-31-9
formula: C26H23F2NO4
inchi: InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate @en
pubchem: 50980
smiles: CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
inchikey: GBIHOLCMZGAKNG-UHFFFAOYSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: fluctnt

zinkchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53917-99-0
cas number: 7646-85-7
formula: Cl2Zn
inchi: InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2
iupac name: ['Zinc dichloride', 'dichlorozinc'] @en
pubchem: 5727
smiles: Cl[Zn]Cl
inchikey: JIAARYAFYJHUJI-UHFFFAOYSA-L
broader: CHEMONTID_0000588
in scheme: Conceptschema Chemische Stoffen
notation: ZnCl

melamine, polymeer met formaldehyde en methanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 59588-07-7
cas number: 68002-21-1
cas number: 68955-24-8
cas number: 68002-24-4
cas number: 68037-27-4
cas number: 68002-20-0
cas number: 68036-97-5
cas number: 68511-75-1
cas number: 59588-08-8
cas number: 68511-73-9
cas number: 68002-25-5
formula: C4H8N6O
inchi: InChI=1S/C3H6N6.CH2O/c4-1-7-2(5)9-3(6)8-1;1-2/h(H6,4,5,6,7,8,9);1H2
iupac name: formaldehyde; 1,3,5-triazine-2,4,6-triamine @en
pubchem: 93374
smiles: C=O.C1(=NC(=NC(=N1)N)N)N
inchikey: IVJISJACKSSFGE-UHFFFAOYSA-N
broader: CHEMONTID_0001831
in scheme: Conceptschema Chemische Stoffen
notation: melmnplmmfAh

octinoxaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 155867-04-2
cas number: 5466-77-3
formula: C18H26O3
inchi: InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+
iupac name: ['2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate', '2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate'] @en
pubchem: 5355130
smiles: CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC
inchikey: YBGZDTIWKVFICR-JLHYYAGUSA-N
alternative label: 2-ethylhexyl-4-methoxycinnamaat
broader: CHEMONTID_0003480
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yC6y4C1ox

mebeverine hydrochloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2753-45-9
cas number: 3625-06-7
formula: C25H36ClNO5
inchi: InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H
iupac name: ['4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate; hydron; chloride', '4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride'] @en
pubchem: 17683
inchikey: PLGQWYOULXPJRE-UHFFFAOYSA-N
broader: CHEMONTID_0002346
in scheme: Conceptschema Chemische Stoffen
notation: mebvrnHCL

chloorpromazine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 34468-21-8
cas number: 50-53-3
formula: C17H19ClN2S
inchi: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
iupac name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine @en
pubchem: 2726
smiles: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
inchikey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N
broader: CHEMONTID_0000310
in scheme: Conceptschema Chemische Stoffen
notation: Clpmzne

4-isopropylaniline (cumidine)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 99-88-7
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
iupac name: 4-propan-2-ylaniline @en
pubchem: 7464
smiles: CC(C)C1=CC=C(C=C1)N
inchikey: LRTFPLFDLJYEKT-UHFFFAOYSA-N
alternative label: 4-isopropylaniline (Cumidine)
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: 4iC3yAn

piperonal
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 30024-74-9
cas number: 120-57-0
formula: C8H6O3
inchi: InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
iupac name: 1,3-benzodioxole-5-carbaldehyde @en
pubchem: 8438
smiles: C1OC2=C(O1)C=C(C=C2)C=O
inchikey: SATCULPHIDQDRE-UHFFFAOYSA-N
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: piprnl

o-(fenylkwikoxy)fenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 27360-58-3
formula: C12H10HgO2
inchi: InChI=1S/C6H5O2.C6H5.Hg/c7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1;/h1-2,4,7-8H;1-5H;
iupac name: (2,4-dihydroxyphenyl)-phenylmercury @en
pubchem: 33793
smiles: C1=CC=C(C=C1)[Hg]C2=C(C=C(C=C2)O)O
inchikey: DNZXWDUPPLHSQL-UHFFFAOYSA-N
broader: CHEMONTID_0000137
in scheme: Conceptschema Chemische Stoffen
notation: oFyHgOxFol

nitroglycerine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 80066-48-4
cas number: 55-63-0
cas number: 105469-31-6
cas number: 8013-23-8
cas number: 9010-02-0
formula: C3H5N3O9
inchi: InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
iupac name: 1,3-dinitrooxypropan-2-yl nitrate @en
pubchem: 4510
smiles: C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
inchikey: SNIOPGDIGTZGOP-UHFFFAOYSA-N
broader: CHEMONTID_0004091
in scheme: Conceptschema Chemische Stoffen
notation: NO2gcrne

benzo(b)fluoreen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 243-17-4
cas number: 30777-19-6
formula: C17H12
inchi: InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2
iupac name: 11H-Benzo[b]fluorene @en
pubchem: 9201
smiles: C1C2=CC=CC=C2C3=CC4=CC=CC=C4C=C31
inchikey: HAPOJKSPCGLOOD-UHFFFAOYSA-N
broader: CHEMONTID_0000020
in scheme: Conceptschema Chemische Stoffen
notation: BbFle

4-methyl-3-nitroaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 119-32-4
formula: C7H8N2O2
inchi: InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3
iupac name: 4-Methyl-3-nitroaniline @en
pubchem: 8390
smiles: CC1=C(C=C(C=C1)N)[N+](=O)[O-]
inchikey: GDIIPKWHAQGCJF-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 4C1y3NO2An

cyclododecaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 294-62-2
cas number: 46133-53-3
formula: C12H24
inchi: InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
iupac name: CYCLODODECANE @en
pubchem: 9268
smiles: C1CCCCCCCCCCC1
inchikey: DDTBPAQBQHZRDW-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: cycC12a

chloormequat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7003-89-6
formula: C5H13ClN+
inchi: InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
iupac name: 2-chloroethyl-trimethylazanium @en
pubchem: 13837
smiles: C[N+](C)(C)CCCl
inchikey: JUZXDNPBRPUIOR-UHFFFAOYSA-N
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: clmqat

oleandomycinefosfaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7060-74-4
formula: C35H64NO16P
inchi: InChI=1S/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+;/m0./s1
iupac name: (3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione; phosphoric acid @en
pubchem: 72492
inchikey: RLPCJGKQKFMBEI-UOBLTHIJSA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: oladmcnPO4

1-nonanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 143-08-8
cas number: 28473-21-4
formula: C9H20O
inchi: InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
iupac name: Nonan-1-ol @en
pubchem: 8914
smiles: CCCCCCCCCO
inchikey: ZWRUINPWMLAQRD-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 1C9ol

thallium 201
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15064-65-0
formula: Tl
inchi: InChI=1S/Tl/i1-3
iupac name: thallium-201 @en
pubchem: 5461982
smiles: [Tl]
inchikey: BKVIYDNLLOSFOA-OIOBTWANSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Tl201

3-nitrobenzeensulfonzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 98-47-5
formula: C6H5NO5S
inchi: InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)
iupac name: 3-NITROBENZENESULFONIC ACID @en
pubchem: 7387
smiles: C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-]
inchikey: ONMOULMPIIOVTQ-UHFFFAOYSA-N
broader: CHEMONTID_0000032
in scheme: Conceptschema Chemische Stoffen
notation: 3NO2Bensfzr

methylbenzoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 93-58-3
formula: C8H8O2
inchi: InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
iupac name: Methyl benzoate @en
pubchem: 7150
smiles: COC(=O)C1=CC=CC=C1
inchikey: QPJVMBTYPHYUOC-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen

trichloorfon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 66758-31-4
cas number: 37333-09-8
cas number: 50924-44-2
cas number: 52-68-6
cas number: 56042-25-2
formula: C4H8Cl3O4P
inchi: InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
iupac name: ['hydroxy-dimethoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphanium', '2,2,2-trichloro-1-dimethoxyphosphorylethanol'] @en
pubchem: 5853
smiles: COP(=O)(C(C(Cl)(Cl)Cl)O)OC
inchikey: NFACJZMKEDPNKN-UHFFFAOYSA-N
broader: CHEMONTID_0004482
in scheme: Conceptschema Chemische Stoffen
notation: TClfn

ethylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 103-69-5
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
iupac name: N-Ethylaniline @en
pubchem: 7670
smiles: CCNC1=CC=CC=C1
inchikey: OJGMBLNIHDZDGS-UHFFFAOYSA-N
broader: CHEMONTID_0003924
in scheme: Conceptschema Chemische Stoffen
notation: C2yAn

mevinfos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 243464-31-5
cas number: 26718-65-0
cas number: 298-01-1
cas number: 7786-34-7
formula: C7H13O6P
inchi: InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+
iupac name: ['methyl 3-dimethoxyphosphoryloxybut-2-enoate', 'methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate'] @en
pubchem: 5355863
smiles: CC(=CC(=O)OC)OP(=O)(OC)OC
inchikey: GEPDYQSQVLXLEU-AATRIKPKSA-N
alternative label: cis-mevinfos
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: mevfs
notation: cmevfs

ijzer(ii)sulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 56172-58-8
cas number: 7720-78-7
cas number: 8063-79-4
cas number: 8060-18-2
cas number: 139939-63-2
cas number: 16547-58-3
formula: FeO4S
inchi: InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
iupac name: iron(+2) cation sulfate @en
pubchem: 24393
smiles: [O-]S(=O)(=O)[O-].[Fe+2]
inchikey: BAUYGSIQEAFULO-UHFFFAOYSA-L
alternative label: ijzer(II)sulfaat
broader: CHEMONTID_0000858
in scheme: Conceptschema Chemische Stoffen
notation: FeSO4

dimethylamine dicamba
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 136365-67-8
cas number: 2300-66-5
formula: C10H13Cl2NO3
inchi: InChI=1S/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3
iupac name: 3,6-dichloro-2-methoxybenzoic acid; N-methylmethanamine @en
pubchem: 16811
smiles: CNC.COC1=C(C=CC(=C1C(=O)O)Cl)Cl
inchikey: JDRFUUBRGGDEIZ-UHFFFAOYSA-N
broader: CHEMONTID_0002345
in scheme: Conceptschema Chemische Stoffen
notation: DC1yAeDcba

1,2-dinitrobenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 528-29-0
formula: C6H4N2O4
inchi: InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
iupac name: 1,2-Dinitrobenzene @en
pubchem: 10707
smiles: C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]
inchikey: IZUKQUVSCNEFMJ-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 12DNO2Ben

3,7-dimethylnonaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 17302-32-8
formula: C11H24
inchi: InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3
iupac name: 3,7-DIMETHYLNONANE @en
pubchem: 28458
smiles: CCC(C)CCCC(C)CC
inchikey: YGPVLXJHRFZYJJ-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 37DC1yC9a

pyrethrin II
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 121-29-9
formula: C22H28O5
inchi: InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1
iupac name: [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 5281555
inchikey: VJFUPGQZSXIULQ-XIGJTORUSA-N
alternative label: pyrethrin ii
broader: CHEMONTID_0001724
in scheme: Conceptschema Chemische Stoffen
notation: pyrtnII

dimethylacetamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 127-19-5
formula: C4H9NO
inchi: InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
iupac name: N,N-Dimethylacetamide @en
pubchem: 31374
smiles: CC(=O)N(C)C
inchikey: FXHOOIRPVKKKFG-UHFFFAOYSA-N
broader: CHEMONTID_0001664
in scheme: Conceptschema Chemische Stoffen
notation: DC1yacAd

amitriptyline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 50-48-6
cas number: 30227-34-0
formula: C20H23N
inchi: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
iupac name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine @en
pubchem: 2160
smiles: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
inchikey: KRMDCWKBEZIMAB-UHFFFAOYSA-N
broader: CHEMONTID_0000019
in scheme: Conceptschema Chemische Stoffen
notation: amttlne

curium 243
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15757-87-6
formula: Cm
inchi: InChI=1S/Cm/i1-4
iupac name: curium-243 @en
pubchem: 105155
smiles: [Cm]
inchikey: NIWWFAAXEMMFMS-AHCXROLUSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Cm243

isocarbofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 24353-61-5
cas number: 39284-27-0
formula: C11H16NO4PS
inchi: InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)
iupac name: propan-2-yl 2-(amino-methoxyphosphinothioyl)oxybenzoate @en
pubchem: 90479
smiles: CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC
inchikey: YFVOXLJXJBQDEF-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: icbfs

mianserine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 78644-54-9
cas number: 21535-47-7
cas number: 24219-97-4
formula: C18H21ClN2
inchi: InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
iupac name: 5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride @en
pubchem: 68551
smiles: CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl
inchikey: YNPFMWCWRVTGKJ-UHFFFAOYSA-N
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: miasrne

tetrafosfor
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 12185-10-3
cas number: 51273-58-6
formula: P4
inchi: InChI=1S/P4/c1-2-3(1)4(1)2
iupac name: 1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane @en
pubchem: 123286
smiles: P12P3P1P23
inchikey: OBSZRRSYVTXPNB-UHFFFAOYSA-N
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen
notation: P4

? -chloortolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 27987-13-9
cas number: 25168-05-2
cas number: 100-44-7
formula: C7H7Cl
inchi: InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
iupac name: Chloromethylbenzene @en
pubchem: 7503
smiles: C1=CC=C(C=C1)CCl
inchikey: KCXMKQUNVWSEMD-UHFFFAOYSA-N
alternative label: alfa-chloortolueen
alternative label: alfa-chloortolueen (benzylchloride)
alternative label: benzylchloride
broader: CHEMONTID_0003980
in scheme: Conceptschema Chemische Stoffen
notation: benzCl

thorium 231
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 14932-40-2
formula: Th
inchi: InChI=1S/Th/i1-1
iupac name: thorium-231 @en
pubchem: 167210
smiles: [Th]
inchikey: ZSLUVFAKFWKJRC-BJUDXGSMSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Th231

naftaleen-2,6-disulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 581-75-9
formula: C10H8O6S2
inchi: InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)
iupac name: Naphthalene-2,6-disulfonic acid @en
pubchem: 11390
inchikey: FITZJYAVATZPMJ-UHFFFAOYSA-N
broader: CHEMONTID_0003601
in scheme: Conceptschema Chemische Stoffen
notation: Naf26Dsfzr

trimethyloctadecylammonium bromide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1120-02-1
formula: C21H46BrN
inchi: InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
iupac name: trimethyl-octadecylazanium bromide @en
pubchem: 70708
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
inchikey: SZEMGTQCPRNXEG-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: TC1yC18yNH4B

benzothiazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 128366-28-9
cas number: 95-16-9
formula: C7H5NS
inchi: InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
iupac name: 1,3-benzothiazole @en
pubchem: 7222
smiles: C1=CC=C2C(=C1)N=CS2
inchikey: IOJUPLGTWVMSFF-UHFFFAOYSA-N
alternative label: benzothiazole
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: benztazl

protactinium 230
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15766-10-6
formula: Pa
inchi: InChI=1S/Pa/i1-1
iupac name: protactinium-230 @en
pubchem: 177681
smiles: [Pa]
inchikey: XLROVYAPLOFLNU-BJUDXGSMSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Pa230

2-butoxyethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 111-76-2
cas number: 9004-77-7
formula: C6H14O2
inchi: InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
iupac name: 2-Butoxyethanol @en
pubchem: 8133
smiles: CCCCOCCO
inchikey: POAOYUHQDCAZBD-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 003
is referenced by: LUC IV 000
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 2C4oxC2ol

temazepam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 846-50-4
formula: C16H13ClN2O2
inchi: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
iupac name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one @en
pubchem: 5391
inchikey: SEQDDYPDSLOBDC-UHFFFAOYSA-N
broader: CHEMONTID_0004097
in scheme: Conceptschema Chemische Stoffen
notation: temzpm

thorium 234
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15065-10-8
formula: Th
inchi: InChI=1S/Th/i1+2
iupac name: thorium-234 @en
pubchem: 104875
smiles: [Th]
inchikey: ZSLUVFAKFWKJRC-NJFSPNSNSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Th234

octylbicyclohepteendicarboximide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 113-48-4
formula: C17H25NO2
inchi: InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3
iupac name: 4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione @en
pubchem: 8227
smiles: CCCCC(CC)CN1C(=O)C2C3CC(C2C1=O)C=C3
inchikey: WLLGXSLBOPFWQV-UHFFFAOYSA-N
broader: CHEMONTID_0001820
in scheme: Conceptschema Chemische Stoffen
notation: C8ybccC7eDcb

carbendazim
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 102040-01-7
cas number: 63278-70-6
cas number: 39413-19-9
cas number: 63090-40-4
cas number: 105268-95-9
cas number: 10605-21-7
cas number: 212384-28-6
cas number: 59758-95-1
cas number: 110342-67-1
cas number: 37953-07-4
formula: C9H9N3O2
inchi: InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
iupac name: methyl N-(1H-benzimidazol-2-yl)carbamate @en
pubchem: 25429
smiles: COC(=O)NC1=NC2=CC=CC=C2N1
inchikey: TWFZGCMQGLPBSX-UHFFFAOYSA-N
broader: CHEMONTID_0004711
in scheme: Conceptschema Chemische Stoffen
notation: carbdzm

pebulaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1114-71-2
formula: C10H21NOS
inchi: InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
iupac name: S-propyl (butyl-ethylamino)methanethioate @en
pubchem: 14215
smiles: CCCCN(CC)C(=O)SCCC
inchikey: SGEJQUSYQTVSIU-UHFFFAOYSA-N
broader: CHEMONTID_0001368
in scheme: Conceptschema Chemische Stoffen
notation: peblt

2,2',3,3',4,4',5,6'-octachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 42740-50-1
formula: C12H2Cl8
inchi: InChI=1S/C12H2Cl8/c13-4-2-6(15)9(17)11(19)7(4)3-1-5(14)10(18)12(20)8(3)16/h1-2H
iupac name: 1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenyl)benzene @en
pubchem: 39253
inchikey: BQFCCUSDZLKBJG-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB196

deltamethrin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52918-63-5
cas number: 55700-96-4
cas number: 62229-77-0
formula: C22H19Br2NO3
inchi: InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
iupac name: [(S)-cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 40585
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
inchikey: OWZREIFADZCYQD-NSHGMRRFSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: dmtn

amobarbital
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 57-43-2
formula: C11H18N2O3
inchi: InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
iupac name: 5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione @en
pubchem: 2164
smiles: CCC1(C(=O)NC(=O)NC1=O)CCC(C)C
inchikey: VIROVYVQCGLCII-UHFFFAOYSA-N
broader: CHEMONTID_0000291
in scheme: Conceptschema Chemische Stoffen
notation: ambbtl

thifensulfuron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 79277-67-1
formula: C11H11N5O6S2
inchi: InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)
iupac name: 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid @en
pubchem: 91729
inchikey: LOQQVLXUKHKNIA-UHFFFAOYSA-N
broader: CHEMONTID_0004706
in scheme: Conceptschema Chemische Stoffen
notation: thifsfrn

arseen 73
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15422-59-0
formula: As
inchi: InChI=1S/As/i1-2
iupac name: arsenic-73 @en
pubchem: 6336622
smiles: [As]
inchikey: RQNWIZPPADIBDY-YPZZEJLDSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: As73

protactinium 233
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13981-14-1
formula: Pa
inchi: InChI=1S/Pa/i1+2
iupac name: protactinium-233 @en
pubchem: 115129
smiles: [Pa]
inchikey: XLROVYAPLOFLNU-NJFSPNSNSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Pa233

fenpyroximaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 134098-61-6
cas number: 111812-58-9
formula: C24H27N3O4
inchi: InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+
iupac name: tert-butyl 4-[[[1,3-dimethyl-5-(phenoxy)pyrazol-4-yl]methylideneamino]oxymethyl]benzoate @en
pubchem: 9576412
inchikey: YYJNOYZRYGDPNH-MFKUBSTISA-N
broader: CHEMONTID_0002463
in scheme: Conceptschema Chemische Stoffen
notation: fenprxmt

propiconazol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 60207-90-1
cas number: 75881-82-2
formula: C15H17Cl2N3O2
iupac name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole @en
pubchem: 43234
inchikey: STJLVHWMYQXCPB-UHFFFAOYSA-N
alternative label: propiconazol (som cis- en trans-)
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: propcnzl

dibenz(a,j)acridine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 224-42-0
formula: C21H13N
inchi: InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H
iupac name: 13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene @en
pubchem: 9177
inchikey: ANUCHZVCBDOPOX-UHFFFAOYSA-N
broader: CHEMONTID_0003017
in scheme: Conceptschema Chemische Stoffen
notation: Dbenzajacdne

2,4-diaminoanisol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 108066-98-4
cas number: 6219-67-6
cas number: 615-05-4
cas number: 39156-41-7
formula: C7H12N2O5S
inchi: InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)
iupac name: 4-methoxybenzene-1,3-diamine; sulfuric acid @en
pubchem: 38221
smiles: COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O
inchikey: FDJQHYWUHGBBTO-UHFFFAOYSA-N
alternative label: 2,4-diaminoanisolsulfaat
broader: CHEMONTID_0004670
in scheme: Conceptschema Chemische Stoffen
notation: 24DAoansl
notation: 24DAoansSO4

7-methylcoumarin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2445-83-2
formula: C10H8O2
inchi: InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3
iupac name: 7-methylchromen-2-one @en
pubchem: 17131
smiles: CC1=CC2=C(C=C1)C=CC(=O)O2
inchikey: DLHXRDUXNVEIEY-UHFFFAOYSA-N
broader: CHEMONTID_0000145
in scheme: Conceptschema Chemische Stoffen
notation: 7C1ycmrn

butaandizuur, diethylester
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 68989-32-2
cas number: 123-25-1
formula: C8H14O4
inchi: InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
iupac name: Diethyl butanedioate @en
pubchem: 31249
smiles: CCOC(=O)CCC(=O)OCC
inchikey: DKMROQRQHGEIOW-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: C4aDzrDC2yEs

ethofenprox
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 80844-07-1
formula: C25H28O3
inchi: InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3
iupac name: 1-ethoxy-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene @en
pubchem: 71245
inchikey: YREQHYQNNWYQCJ-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: etfpx

2-methyl isoborneol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2371-42-8
cas number: 18680-50-7
cas number: 27695-81-4
cas number: 95097-54-4
cas number: 112548-27-3
formula: C11H20O
inchi: InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3
iupac name: 1,6,7,7-tetramethylbicyclo[2.2.1]heptan-6-ol @en
pubchem: 16913
smiles: CC1(C2CCC1(C(C2)(C)O)C)C
inchikey: LFYXNXGVLGKVCJ-UHFFFAOYSA-N
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yibnol

2-amino-6-nitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 603-83-8
formula: C7H8N2O2
inchi: InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
iupac name: 2-Methyl-3-nitroaniline @en
pubchem: 11783
smiles: CC1=C(C=CC=C1[N+](=O)[O-])N
inchikey: HFCFJYRLBAANKN-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 2Ao6NO2Tol

waterstof
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1333-74-0
formula: H
inchi: InChI=1S/H
iupac name: Hydrogen @en
pubchem: 5362549
smiles: [H]
inchikey: YZCKVEUIGOORGS-UHFFFAOYSA-N
broader: CHEMONTID_0000552
in scheme: Conceptschema Chemische Stoffen
notation: H

4-dimethylaminopyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1122-58-3
formula: C7H11N2+
inchi: InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3/p+1
iupac name: N,N-dimethylpyridin-1-ium-4-amine @en
pubchem: 2735020
smiles: CN(C)C1=CC=[NH+]C=C1
inchikey: VHYFNPMBLIVWCW-UHFFFAOYSA-O
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: 4DC1yAoprdne

4-nitroaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 100-01-6
cas number: 38013-32-0
formula: C6H6N2O2
inchi: InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
iupac name: ['4-Nitroaniline', 'N,N-dihydroxybenzene-1,4-diamine'] @en
pubchem: 7475
smiles: C1=CC(=CC=C1N)[N+](=O)[O-]
inchikey: TYMLOMAKGOJONV-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 4NO2An

scandium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7440-20-2
cas number: 14391-83-4
cas number: 195161-76-3
formula: Sc
inchi: InChI=1S/Sc
iupac name: SCANDIUM @en
pubchem: 23952
smiles: [Sc]
inchikey: SIXSYDAISGFNSX-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Sc

traseolide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68140-48-7
formula: C18H26O
inchi: InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3
iupac name: 1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone @en
pubchem: 91696
inchikey: IMRYETFJNLKUHK-UHFFFAOYSA-N
broader: CHEMONTID_0000027
in scheme: Conceptschema Chemische Stoffen
notation: ATTI

prednicarbaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 73771-04-7
formula: C27H36O8
inchi: InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3
iupac name: [2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] propanoate @en
pubchem: 52421
inchikey: FNPXMHRZILFCKX-UHFFFAOYSA-N
broader: CHEMONTID_0001468
in scheme: Conceptschema Chemische Stoffen
notation: predncbt

flutolanil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 66332-96-5
cas number: 84461-35-8
formula: C17H16F3NO2
inchi: InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
iupac name: N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide @en
pubchem: 47898
inchikey: PTCGDEVVHUXTMP-UHFFFAOYSA-N
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: flutlnl

3,4-dichloorbenzeencarbonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 51-44-5
formula: C7H4Cl2O2
inchi: InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
iupac name: 3,4-Dichlorobenzoic acid @en
pubchem: 5817
smiles: C1=CC(=C(C=C1C(=O)O)Cl)Cl
inchikey: VPHHJAOJUJHJKD-UHFFFAOYSA-N
broader: CHEMONTID_0002611
in scheme: Conceptschema Chemische Stoffen
notation: 34DClBencbzr

dibroomchloormethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 124-48-1
formula: CHBr2Cl
inchi: InChI=1S/CHBr2Cl/c2-1(3)4/h1H
iupac name: dibromo-chloromethane @en
pubchem: 31296
smiles: C(Cl)(Br)Br
inchikey: GATVIKZLVQHOMN-UHFFFAOYSA-N
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: DBrClC1a

2,4'-methoxychloor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 30667-99-3
formula: C16H15Cl3O2
inchi: InChI=1S/C16H15Cl3O2/c1-20-12-9-7-11(8-10-12)15(16(17,18)19)13-5-3-4-6-14(13)21-2/h3-10,15H,1-2H3
iupac name: 1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene @en
pubchem: 35405
inchikey: KNLLPAOBVIKLDE-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 24C1oxCl

o-toluidine hydrochloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 636-21-5
formula: C7H10ClN
inchi: InChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H
iupac name: 2-METHYLANILINE HYDROCHLORIDE @en
pubchem: 12484
smiles: CC1=CC=CC=C1N.Cl
inchikey: OGVXWEOZQMAAIM-UHFFFAOYSA-N
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: otolidnHCl

thiofanaat-ethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 37359-51-6
cas number: 23564-06-9
cas number: 39300-54-4
cas number: 37233-54-8
formula: C14H18N4O4S2
inchi: InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)
iupac name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate @en
pubchem: 31991
inchikey: YFNCATAIYKQPOO-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: tofnC2y

propafos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7292-16-2
formula: C13H21O4PS
inchi: InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3
iupac name: (4-methylsulfanylphenyl) dipropyl phosphate @en
pubchem: 23717
smiles: CCCOP(=O)(OCCC)OC1=CC=C(C=C1)SC
inchikey: PWYIUEFFPNVCMW-UHFFFAOYSA-N
broader: CHEMONTID_0004742
in scheme: Conceptschema Chemische Stoffen
notation: propfs

octylfenoxypolyethoxyethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53663-54-0
cas number: 77137-66-7
cas number: 63172-50-9
cas number: 54834-97-8
cas number: 39341-03-2
cas number: 52628-05-4
cas number: 50815-48-0
cas number: 71538-51-7
cas number: 39316-46-6
cas number: 141443-66-5
cas number: 11130-43-1
cas number: 59112-84-4
cas number: 9036-19-5
cas number: 188612-22-8
cas number: 68310-57-6
cas number: 9081-83-8
cas number: 55600-46-9
cas number: 58056-95-4
cas number: 120026-27-9
cas number: 53858-66-5
cas number: 1336-60-3
cas number: 12679-74-2
cas number: 39320-65-5
cas number: 39283-49-3
cas number: 73904-96-8
formula: C18H30O3
inchi: InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
iupac name: 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol @en
pubchem: 24775
smiles: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO
inchikey: LBCZOTMMGHGTPH-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: C8yfOxplC2ox

azaconazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 60207-31-0
formula: C12H11Cl2N3O2
iupac name: 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole @en
pubchem: 43233
inchikey: AKNQMEBLVAMSNZ-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: azacnzl

eprinomectin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 159628-36-1
cas number: 123997-26-2
formula: C49H73NO14
inchi: InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1
iupac name: N-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide @en
pubchem: 6450531
inchikey: WPNHOHPRXXCPRA-TVXIRPTOSA-N
broader: CHEMONTID_0000147
in scheme: Conceptschema Chemische Stoffen
notation: epnmtn

1-chloor-1,1,2,2-tetrafluorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 354-25-6
formula: C2HClF4
inchi: InChI=1S/C2HClF4/c3-2(6,7)1(4)5/h1H
iupac name: 1-Chloro-1,1,2,2-tetrafluoroethane @en
pubchem: 9632
smiles: C(C(F)(F)Cl)(F)F
inchikey: JQZFYIGAYWLRCC-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK124a

fensulfothion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 115-90-2
formula: C11H17O4PS2
inchi: InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3
iupac name: diethoxy-(4-methylsulfinylphenoxy)-sulfanylidenephosphorane @en
pubchem: 8292
smiles: CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C
inchikey: XDNBJTQLKCIJBV-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: fensfton

benomyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52683-56-4
cas number: 39357-40-9
cas number: 17804-35-2
formula: C14H18N4O3
inchi: InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)
iupac name: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate @en
pubchem: 28780
smiles: CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC
inchikey: RIOXQFHNBCKOKP-UHFFFAOYSA-N
broader: CHEMONTID_0004711
in scheme: Conceptschema Chemische Stoffen
notation: benml

1,2,3,6,7,8-hexachloordibenzofuraan (hxcdf)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 57117-44-9
formula: C12H2Cl6O
inchi: InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H
iupac name: 1,2,3,6,7,8-HEXACHLORODIBENZOFURAN @en
pubchem: 42140
inchikey: JEYJJJXOFWNEHN-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,6,7,8-hexachloordibenzofuran
alternative label: 1,2,3,6,7,8-hexachloordibenzofuraan
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF121

3-hydroxynaftaleen-2,7-disulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 135-51-3
cas number: 148-75-4
cas number: 39301-76-3
formula: C10H6Na2O7S2
inchi: InChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
iupac name: disodium 3-hydroxynaphthalene-2,7-disulfonate @en
pubchem: 8673
smiles: C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
inchikey: VNEBWJSWMVTSHK-UHFFFAOYSA-L
broader: CHEMONTID_0003601
in scheme: Conceptschema Chemische Stoffen
notation: 3HOxNaf27Dsf

1,2-dichloor-1,1-difluorethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1649-08-7
cas number: 25915-78-0
formula: C2H2Cl2F2
inchi: InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2
iupac name: 1,2-DICHLORO-1,1-DIFLUOROETHANE @en
pubchem: 15442
smiles: C(C(F)(F)Cl)Cl
inchikey: SKDFWEPBABSFMG-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK132b

3,3’-dichloorbenzidine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 91-94-1
cas number: 86349-58-8
formula: C12H10Cl2N2
inchi: InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
iupac name: 4-(4-amino-3-chlorophenyl)-2-chloroaniline @en
pubchem: 7070
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N
inchikey: HUWXDEQWWKGHRV-UHFFFAOYSA-N
alternative label: 3,3'-dichloorbenzidine
broader: CHEMONTID_0003956
in scheme: Conceptschema Chemische Stoffen
notation: 33DClbzdne

PCB 156
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 38380-08-4
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H
iupac name: 1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene @en
pubchem: 38019
inchikey: LCXMEXLGMKFLQO-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: pcb 156
alternative label: 2,3,3',4,4',5-hexachloorbifenyl
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB156

tramadol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 27203-92-5
formula: C16H25NO2
inchi: InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
iupac name: (1R,2R)-2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol @en
pubchem: 33741
smiles: CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O
inchikey: TVYLLZQTGLZFBW-ZBFHGGJFSA-N
broader: CHEMONTID_0000138
in scheme: Conceptschema Chemische Stoffen
notation: tramdl

6:2 fluortelomeerfosfaat monoester
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 57678-01-0
formula: C8H6F13O4P
inchi: InChI=1S/C8H6F13O4P/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate @en
pubchem: 14250578
inchikey: FZTRDYSPWWJCOF-UHFFFAOYSA-N
broader: CHEMONTID_0003458
in scheme: Conceptschema Chemische Stoffen
notation: 6:2 PAP

4-chloor-2-nitrotolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 89-59-8
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
iupac name: 4-chloro-1-methyl-2-nitrobenzene @en
pubchem: 6975
smiles: CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
inchikey: SQFLFRQWPBEDHM-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl2NO2Tol

8-hydroxypennelic acid
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3053-85-8
formula: C9H12N2O5S
inchi: InChI=1S/C9H12N2O5S/c1-9(2)4(7(14)15)11-5(17-9)3(6(12)13)10-8(11)16/h3-5H,1-2H3,(H,10,16)(H,12,13)(H,14,15)
iupac name: 2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid @en
pubchem: 6451507
smiles: CC1(C(N2C(S1)C(NC2=O)C(=O)O)C(=O)O)C
inchikey: RXVCHKFNBPFYCC-UHFFFAOYSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: 8-HPA

dimethyltrisulfide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3658-80-8
cas number: 85931-54-0
formula: C2H6S3
inchi: InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3
iupac name: methylsulfanyldisulfanylmethane @en
pubchem: 19310
smiles: CSSSC
inchikey: YWHLKYXPLRWGSE-UHFFFAOYSA-N
broader: CHEMONTID_0002799
in scheme: Conceptschema Chemische Stoffen
notation: DC1yTS

acefaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 115096-11-2
cas number: 30560-19-1
formula: C4H10NO3PS
inchi: InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
iupac name: N-(methoxy-methylsulfanylphosphoryl)acetamide @en
pubchem: 1982
smiles: CC(=O)NP(=O)(OC)SC
inchikey: YASYVMFAVPKPKE-UHFFFAOYSA-N
broader: CHEMONTID_0001438
in scheme: Conceptschema Chemische Stoffen
notation: acft

methylmethacrylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 80-62-6
cas number: 162221-54-7
cas number: 220713-32-6
cas number: 9065-11-6
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
iupac name: methyl 2-methylprop-2-enoate @en
pubchem: 6658
smiles: CC(=C)C(=O)OC
inchikey: VVQNEPGJFQJSBK-UHFFFAOYSA-N
is referenced by: LUC IV 004
is referenced by: LUC IV 012
is referenced by: LUC IV 000
broader: CHEMONTID_0003626
in scheme: Conceptschema Chemische Stoffen
notation: C1ymtclt

2,3-dichloorbenzeencarbonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 50-45-3
formula: C7H4Cl2O2
inchi: InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
iupac name: 2,3-DICHLOROBENZOIC ACID @en
pubchem: 5765
smiles: C1=CC(=C(C(=C1)Cl)Cl)C(=O)O
inchikey: QAOJBHRZQQDFHA-UHFFFAOYSA-N
broader: CHEMONTID_0002611
in scheme: Conceptschema Chemische Stoffen
notation: 23DClBencbzr

1,5-pentaandiamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 462-94-2
formula: C5H14N2
inchi: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
iupac name: PENTANE-1,5-DIAMINE @en
pubchem: 273
smiles: C(CCN)CCN
inchikey: VHRGRCVQAFMJIZ-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: 15C5aDAe

beta-sitosterol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 83-46-5
formula: C29H50O
inchi: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
iupac name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
pubchem: 222284
inchikey: KZJWDPNRJALLNS-VJSFXXLFSA-N
broader: CHEMONTID_0002031
in scheme: Conceptschema Chemische Stoffen
notation: bsitsrl

hexamethylfosforamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51557-01-8
cas number: 24992-55-0
cas number: 630-31-9
cas number: 680-31-9
formula: C6H18N3OP
inchi: InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
iupac name: ['N-bis(dimethylamino)phosphoryl-N-methylmethanamine', 'tris(dimethylamino)-hydroxyphosphanium'] @en
pubchem: 12679
smiles: CN(C)P(=O)(N(C)C)N(C)C
inchikey: GNOIPBMMFNIUFM-UHFFFAOYSA-N
broader: CHEMONTID_0001204
in scheme: Conceptschema Chemische Stoffen
notation: HxC1yPAd

4,5-dichloor-2-octyl-2H-isothiazool-3-on
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 64359-81-5
formula: C11H17Cl2NOS
inchi: InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3
iupac name: 4,5-dichloro-2-octyl-1,2-thiazol-3-one @en
pubchem: 91688
smiles: CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl
inchikey: PORQOHRXAJJKGK-UHFFFAOYSA-N
alternative label: 4,5-dichloor-2-octyl-2h-isothiazool-3-on
broader: CHEMONTID_0001030
in scheme: Conceptschema Chemische Stoffen
notation: 45DCl2C8y2Hi

2-anisidine hydrochloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 134-29-2
formula: C7H10ClNO
inchi: InChI=1S/C7H9NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H
iupac name: 2-Methoxyaniline hydrochloride @en
pubchem: 8638
smiles: COC1=CC=CC=C1N.Cl
inchikey: XCZCWGVXRBJCCD-UHFFFAOYSA-N
broader: CHEMONTID_0004670
in scheme: Conceptschema Chemische Stoffen
notation: 2ansdnHCl

ethylazinfos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2642-71-9
formula: C12H16N3O3PS2
iupac name: 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one @en
pubchem: 17531
smiles: CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1
inchikey: RQVGAIADHNPSME-UHFFFAOYSA-N
alternative label: azinfos-ethyl
broader: CHEMONTID_0004660
in scheme: Conceptschema Chemische Stoffen
notation: C2yazfs

danofloxacin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 112398-08-0
formula: C19H20FN3O3
inchi: InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1
iupac name: 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid @en
pubchem: 71335
inchikey: QMLVECGLEOSESV-RYUDHWBXSA-N
alternative label: danofloxacine
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: danfxcn

dinotefuran
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 165252-70-0
formula: C7H14N4O3
inchi: InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)
iupac name: 2-methyl-3-nitro-1-(oxolan-3-ylmethyl)guanidine @en
pubchem: 197701
smiles: CN=C(NCC1CCOC1)N[N+](=O)[O-]
inchikey: YKBZOVFACRVRJN-UHFFFAOYSA-N
broader: CHEMONTID_0004667
in scheme: Conceptschema Chemische Stoffen
notation: Dntfrn

4-chloorfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 106-48-9
formula: C6H5ClO
inchi: InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
iupac name: 4-Chlorophenol @en
pubchem: 4684
smiles: C1=CC(=CC=C1O)Cl
inchikey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N
broader: CHEMONTID_0002772
in scheme: Conceptschema Chemische Stoffen
notation: 4ClFol

verapamil
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 52-53-9
cas number: 56949-77-0
formula: C27H38N2O4
inchi: InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
iupac name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile @en
pubchem: 2520
smiles: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
inchikey: SGTNSNPWRIOYBX-UHFFFAOYSA-N
broader: CHEMONTID_0000014
in scheme: Conceptschema Chemische Stoffen
notation: verpml

5-methyl-1H-benzotriazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 136-85-6
cas number: 49636-02-4
formula: C7H7N3
inchi: InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
iupac name: 5-methyl-2H-benzotriazole @en
pubchem: 8705
smiles: CC1=CC2=NNN=C2C=C1
inchikey: LRUDIIUSNGCQKF-UHFFFAOYSA-N
broader: CHEMONTID_0000315
in scheme: Conceptschema Chemische Stoffen
notation: 5C1y1Hbztazl

fipronil-sulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 120068-36-2
formula: C12H4Cl2F6N4O2S
iupac name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile @en
pubchem: 3078139
smiles: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F
inchikey: LGHZJDKSVUTELU-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: fipnsfn

benodanil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15310-01-7
formula: C13H10INO
inchi: InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
iupac name: 2-Iodo-N-phenylbenzamide @en
pubchem: 27195
smiles: C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2I
inchikey: LJOZMWRYMKECFF-UHFFFAOYSA-N
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: benodnl

aceton
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 67-64-1
formula: C3H6O
inchi: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
iupac name: propan-2-one @en
pubchem: 180
smiles: CC(=O)C
inchikey: CSCPPACGZOOCGX-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 012
is referenced by: LUC IV 007
is referenced by: LUC IV 011
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: actn

oxamyl-oxime
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 30558-43-1
formula: C5H10N2O2S
inchi: InChI=1S/C5H10N2O2S/c1-7(2)5(8)4(6-9)10-3/h9H,1-3H3/b6-4+
iupac name: (2E)-2-hydroxyimino-N,N-dimethyl-2-methylsulfanylacetamide @en
pubchem: 6399420
smiles: CN(C)C(=O)C(=NO)SC
inchikey: KIDWGGCIROEJJW-GQCTYLIASA-N
broader: CHEMONTID_0001664
in scheme: Conceptschema Chemische Stoffen
notation: OamOxme

2-fenoxy-1-propanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 157967-88-9
cas number: 4169-04-4
cas number: 38600-05-4
formula: C9H12O2
inchi: InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
iupac name: 2-(phenoxy)propan-1-ol @en
pubchem: 20129
smiles: CC(CO)OC1=CC=CC=C1
inchikey: LOJHHQNEBFCTQK-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: 2fenOx1C3ol

trifenylfosfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 115-86-6
cas number: 402955-02-6
formula: C18H15O4P
inchi: InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
iupac name: ['Triphenyl phosphate', 'hydroxy-tris(phenoxy)phosphanium'] @en
pubchem: 8289
inchikey: XZZNDPSIHUTMOC-UHFFFAOYSA-N
broader: CHEMONTID_0004619
in scheme: Conceptschema Chemische Stoffen
notation: TFyPO4

azadirachtin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 11141-17-6
formula: C35H44O16
inchi: InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1
iupac name: dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate @en
pubchem: 5281303
inchikey: FTNJWQUOZFUQQJ-NDAWSKJSSA-N
broader: CHEMONTID_0002380
in scheme: Conceptschema Chemische Stoffen
notation: azdrtn

imibenconazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 86598-92-7
formula: C17H13Cl3N4S
inchi: InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2
iupac name: 1-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine @en
pubchem: 93483
inchikey: AGKSTYPVMZODRV-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: imbcnzl

diisobutylftalaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68955-80-6
cas number: 84-69-5
cas number: 68951-39-3
formula: C16H22O4
inchi: InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
iupac name: bis(2-methylpropyl) benzene-1,2-dicarboxylate @en
pubchem: 6782
smiles: CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
inchikey: MGWAVDBGNNKXQV-UHFFFAOYSA-N
alternative label: di-isobutylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DiC4yFt

perfluordodecaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 307-55-1
formula: C12HF23O2
inchi: InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid @en
pubchem: 67545
inchikey: CXGONMQFMIYUJR-UHFFFAOYSA-N
alternative label: perfluor-n-dodecaanzuur (pfdoda)
alternative label: perfluor-n-dodecaanzuur
alternative label: perfluordodecaanzuur (pfdoda)
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFDoA
notation: PFDoDA

jopromide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 73334-07-3
formula: C18H24I3N3O8
inchi: InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)
iupac name: N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N'-methylbenzene-1,3-dicarboxamide @en
pubchem: 3736
inchikey: DGAIEPBNLOQYER-UHFFFAOYSA-N
broader: CHEMONTID_0003100
in scheme: Conceptschema Chemische Stoffen
notation: jopmde

propanil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 709-98-8
cas number: 11096-32-5
cas number: 110343-36-7
formula: C9H9Cl2NO
inchi: InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
iupac name: N-(3,4-Dichlorophenyl)propanamide @en
pubchem: 4933
smiles: CCC(=O)NC1=CC(=C(C=C1)Cl)Cl
inchikey: LFULEKSKNZEWOE-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: propnl

ofloxacine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 83380-47-6
cas number: 85344-55-4
cas number: 82419-36-1
formula: C18H20FN3O4
inchi: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
iupac name: 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid @en
pubchem: 4583
inchikey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: ofxcne

propyzamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 66393-62-2
cas number: 11097-12-4
cas number: 23950-58-5
cas number: 11097-11-3
formula: C12H11Cl2NO
inchi: InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
iupac name: 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide @en
pubchem: 32154
smiles: CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
inchikey: PHNUZKMIPFFYSO-UHFFFAOYSA-N
broader: CHEMONTID_0003099
in scheme: Conceptschema Chemische Stoffen
notation: propAd

arseen (driewaardig)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 22541-54-4
formula: As+3
inchi: InChI=1S/As/q+3
iupac name: arsenic(+3) cation @en
pubchem: 104734
smiles: [As+3]
inchikey: LULLIKNODDLMDQ-UHFFFAOYSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: AsIII

PER (perchloorethyleen)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'tetrachloorethyleen'
comment: VLAR II Art. 5.4.3.1.4 'perchloorethyleen'
comment: (PER bij droogkuis), 'tetrachloorethyleen', 'tetrachloorethyleen'
cas number: 127-18-4
formula: C2Cl4
inchi: InChI=1S/C2Cl4/c3-1(4)2(5)6
iupac name: 1,1,2,2-Tetrachloroethene @en
pubchem: 31373
smiles: C(=C(Cl)Cl)(Cl)Cl
inchikey: CYTYCFOTNPOANT-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC II 002
is referenced by: LUC IV 000
is referenced by: LUC IV 002
alternative label: tetrachlooretheen
alternative label: per (perchloorethyleen)
alternative label: tetrachlooretheen (per)
alternative label: tetrachloorethyleen (per)
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: T4ClC2e

zwavelzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'
comment: VLAR III (D3) 'zwavelzuur'
cas number: 13537-15-0
cas number: 7664-93-9
cas number: 12772-98-4
cas number: 140623-70-7
cas number: 119540-51-1
cas number: 127529-01-5
formula: H2O4S
inchi: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
iupac name: Sulfuric acid @en
pubchem: 1118
smiles: OS(=O)(=O)O
inchikey: QAOWNCQODCNURD-UHFFFAOYSA-N
is referenced by: LUC III 008
alternative label: zwavelzuur (H2SO4)
broader: CHEMONTID_0001077
in scheme: Conceptschema Chemische Stoffen
notation: H2SO4

5-chloor-2-methylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-79-4
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
iupac name: 5-Chloro-2-methylaniline @en
pubchem: 7260
smiles: CC1=C(C=C(C=C1)Cl)N
inchikey: WRZOMWDJOLIVQP-UHFFFAOYSA-N
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 5Cl2C1yAn

mecarbam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2595-54-2
formula: C10H20NO5PS2
inchi: InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3
iupac name: ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate @en
pubchem: 17434
smiles: CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
inchikey: KLGMSAOQDHLCOS-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: mecbm

1-chloorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 540-54-5
formula: C3H7Cl
inchi: InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
iupac name: 1-CHLOROPROPANE @en
pubchem: 10899
smiles: CCCCl
inchikey: SNMVRZFUUCLYTO-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 1ClC3a

tetrabutylammonium bromide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 65129-09-1
cas number: 1643-19-2
cas number: 65129-13-7
formula: C16H36BrN
inchi: InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
iupac name: tetrabutylazanium bromide @en
pubchem: 74236
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
inchikey: JRMUNVKIHCOMHV-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: T4C4yNH4Br

morfine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6211-15-0
cas number: 92004-19-8
cas number: 57-27-2
cas number: 66591-53-5
formula: C17H31NO12S
inchi: InChI=1S/C17H19NO3.H2O4S.5H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t10-,11+,13-,16-,17-;;;;;;/m0....../s1
iupac name: (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;sulfuric acid;pentahydrate @en
pubchem: 6436139
inchikey: XJIXIEBYTLLFCV-FAISOMDOSA-N
broader: CHEMONTID_0000058
in scheme: Conceptschema Chemische Stoffen
notation: morfne

ijzer(ii)chloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7758-94-3
cas number: 13478-10-9
formula: Cl2FeH8O4
inchi: InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2
iupac name: iron(2+);dichloride;tetrahydrate @en
pubchem: 26063
smiles: O.O.O.O.[Cl-].[Cl-].[Fe+2]
inchikey: WSSMOXHYUFMBLS-UHFFFAOYSA-L
alternative label: ijzer(II)chloride
broader: CHEMONTID_0000588
in scheme: Conceptschema Chemische Stoffen
notation: FeCl2

valproinezuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 99-66-1
cas number: 117039-65-3
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
iupac name: 2-Propylpentanoic acid @en
pubchem: 3121
smiles: CCCC(CCC)C(=O)O
inchikey: NIJJYAXOARWZEE-UHFFFAOYSA-N
broader: CHEMONTID_0003544
in scheme: Conceptschema Chemische Stoffen
notation: valpinzr

sulfinol d
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 63665-16-7
formula: C10H25NO5S
inchi: InChI=1S/C6H15NO2.C4H8O2S.H2O/c1-5(8)3-7-4-6(2)9;5-7(6)3-1-2-4-7;/h5-9H,3-4H2,1-2H3;1-4H2;1H2
iupac name: 1-(2-hydroxypropylamino)propan-2-ol; thiolane 1,1-dioxide; hydrate @en
pubchem: 190009
smiles: CC(CNCC(C)O)O.C1CCS(=O)(=O)C1.O
inchikey: JCVAWLVWQDNEGS-UHFFFAOYSA-N
alternative label: sulfinol D
broader: CHEMONTID_0000233
in scheme: Conceptschema Chemische Stoffen
notation: sulfnD

1-chloor-4-(methylsulfonyl)benzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 98-57-7
formula: C7H7ClO2S
inchi: InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
iupac name: 1-chloro-4-methylsulfonylbenzene @en
pubchem: 7395
smiles: CS(=O)(=O)C1=CC=C(C=C1)Cl
inchikey: LMCOQDVJBWVNNI-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: 1Cl4C1ysfnBe

carfentrazon-ethyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 128639-02-1
formula: C15H14Cl2F3N3O3
iupac name: ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate @en
pubchem: 86222
inchikey: MLKCGVHIFJBRCD-UHFFFAOYSA-N
broader: CHEMONTID_0003314
in scheme: Conceptschema Chemische Stoffen
notation: carftznC2y

2,2-dichloor-1,1,1-trifluorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 306-83-2
formula: C2HCl2F3
inchi: InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H
iupac name: 2,2-DICHLORO-1,1,1-TRIFLUOROETHANE @en
pubchem: 9385
smiles: C(C(F)(F)F)(Cl)Cl
inchikey: OHMHBGPWCHTMQE-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK123

rimexolon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 49697-38-3
formula: C24H34O3
inchi: InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1
iupac name: (10R,11S,13S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one @en
pubchem: 39507
inchikey: QTTRZHGPGKRAFB-PAIWTFDUSA-N
broader: CHEMONTID_0003058
in scheme: Conceptschema Chemische Stoffen
notation: rimoln

1,2,3-benzotriazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 94160-69-7
cas number: 95-14-7
cas number: 25377-81-5
cas number: 28880-01-5
cas number: 116421-31-9
cas number: 70644-74-5
cas number: 27556-51-0
cas number: 273-02-9
formula: C6H5N3
inchi: InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
iupac name: 2H-Benzotriazole @en
pubchem: 7220
smiles: C1=CC2=NNN=C2C=C1
inchikey: QRUDEWIWKLJBPS-UHFFFAOYSA-N
alternative label: benzotriazool
broader: CHEMONTID_0000315
in scheme: Conceptschema Chemische Stoffen
notation: 123benztazl

trans-deltamethrin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 64363-96-8
formula: C22H19Br2NO3
inchi: InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 47354
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
inchikey: OWZREIFADZCYQD-DXCJPMOASA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: tdmtn

2-chloor-6-fluorbenzamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 66073-54-9
formula: C7H5ClFNO
inchi: InChI=1S/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
iupac name: 2-Chloro-6-fluorobenzamide @en
pubchem: 98564
smiles: C1=CC(=C(C(=C1)Cl)C(=O)N)F
inchikey: KLOZZZNFJYMTNE-UHFFFAOYSA-N
broader: CHEMONTID_0003098
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl6FBenAd

3-methylbutan-1-ol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6423-06-9
cas number: 123-51-3
formula: C5H12O
inchi: InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
iupac name: 3-Methylbutan-1-ol @en
pubchem: 31260
smiles: CC(C)CCO
inchikey: PHTQWCKDNZKARW-UHFFFAOYSA-N
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
notation: 3C1y1C4ol

peroxyazijnzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 89370-71-8
cas number: 79-21-0
formula: C2H4O3
inchi: InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3
iupac name: Ethaneperoxoic acid @en
pubchem: 6585
smiles: CC(=O)OO
inchikey: KFSLWBXXFJQRDL-UHFFFAOYSA-N
broader: CHEMONTID_0002446
in scheme: Conceptschema Chemische Stoffen
notation: perOxHAc

2-chloor-4-tert-butylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 98-28-2
formula: C10H13ClO
inchi: InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
iupac name: 4-tert-Butyl-2-chlorophenol @en
pubchem: 7380
smiles: CC(C)(C)C1=CC(=C(C=C1)O)Cl
inchikey: PRLINSMUYJWPBL-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen

1,4-dichloorbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 106-46-7
cas number: 73513-56-1
formula: C6H4Cl2
inchi: InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
iupac name: 1,4-Dichlorobenzene @en
pubchem: 4685
smiles: C1=CC(=CC=C1Cl)Cl
inchikey: OCJBOOLMMGQPQU-UHFFFAOYSA-N
is referenced by: LUC IV 011
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 14DClBen

einsteinium 254
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15840-03-6
formula: Es
inchi: InChI=1S/Es/i1+2
iupac name: einsteinium-254 @en
pubchem: 167472
smiles: [Es]
inchikey: CKBRQZNRCSJHFT-NJFSPNSNSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Es254

methylbutylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 623-42-7
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
iupac name: Methyl butanoate @en
pubchem: 12180
smiles: CCCC(=O)OC
inchikey: UUIQMZJEGPQKFD-UHFFFAOYSA-N
broader: CHEMONTID_0003417
in scheme: Conceptschema Chemische Stoffen
notation: C1yC4yat

bentazon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 12705-05-4
cas number: 25057-89-0
cas number: 58856-82-9
cas number: 21723-40-0
formula: C10H12N2O3S
inchi: InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
iupac name: 2,2-dioxo-3-propan-2-yl-1H-benzo[d][1,2,6]thiadiazin-4-one @en
pubchem: 2328
smiles: CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O
inchikey: ZOMSMJKLGFBRBS-UHFFFAOYSA-N
alternative label: bentazone
broader: CHEMONTID_0002448
in scheme: Conceptschema Chemische Stoffen
notation: bentzn

fosgeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 75-44-5
formula: CCl2O
inchi: InChI=1S/CCl2O/c2-1(3)4
iupac name: Carbonyl dichloride @en
pubchem: 6371
smiles: C(=O)(Cl)Cl
inchikey: YGYAWVDWMABLBF-UHFFFAOYSA-N
broader: CHEMONTID_0000550
in scheme: Conceptschema Chemische Stoffen
notation: fosgn

dibenzylamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 306991-23-1
cas number: 103-49-1
formula: C14H15N
inchi: InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
iupac name: 1-phenyl-N-(phenylmethyl)methanamine @en
pubchem: 7656
smiles: C1=CC=C(C=C1)CNCC2=CC=CC=C2
inchikey: BWLUMTFWVZZZND-UHFFFAOYSA-N
broader: CHEMONTID_0000185
in scheme: Conceptschema Chemische Stoffen
notation: DbenzAe

(R)-1-fenylethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 98-85-1
cas number: 1517-69-7
cas number: 13323-81-4
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
iupac name: 1-Phenylethanol @en
pubchem: 7409
smiles: CC(C1=CC=CC=C1)O
inchikey: WAPNOHKVXSQRPX-UHFFFAOYSA-N
alternative label: (r)-1-fenylethanol
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: R1FyC2ol

1,4-diaminobenzeen dihydrochloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 624-18-0
formula: C6H10Cl2N2
inchi: InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H
iupac name: benzene-1,4-diamine dihydrochloride @en
pubchem: 12205
smiles: C1=CC(=CC=C1N)N.Cl.Cl
inchikey: IYXMNTLBLQNMLM-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 14DAoBenDHCl

N-methylperfluorbutaansulfonamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68298-12-4
formula: C5H4F9NO2S
inchi: InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3
iupac name: 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide @en
pubchem: 109968
inchikey: GFZPUWKGPNHWHD-UHFFFAOYSA-N
alternative label: n-methylperfluor-n-butaansulfonamide (mepfbsa)
alternative label: n-methylperfluor-n-butaansulfonamide
broader: CHEMONTID_0001585
in scheme: Conceptschema Chemische Stoffen
notation: MePFBSA
notation: NC1yPFC4asfA

coumarin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 91-64-5
formula: C9H6O2
inchi: InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
iupac name: chromen-2-one @en
pubchem: 323
smiles: C1=CC=C2C(=C1)C=CC(=O)O2
inchikey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
broader: CHEMONTID_0000145
in scheme: Conceptschema Chemische Stoffen
notation: coumrn

4-aminoazobenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 60-09-3
cas number: 81691-68-1
cas number: 25548-34-9
formula: C12H11N3
inchi: InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2
iupac name: 4-phenyldiazenylaniline @en
pubchem: 6051
smiles: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N
inchikey: QPQKUYVSJWQSDY-UHFFFAOYSA-N
broader: CHEMONTID_0003370
in scheme: Conceptschema Chemische Stoffen
notation: 4AoazBen

4-(dimethylbutylamino)-difenylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 76600-84-5
cas number: 793-24-8
cas number: 50809-58-0
formula: C18H24N2
inchi: InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3
iupac name: N-(4-methylpentan-2-yl)-N'-phenylbenzene-1,4-diamine @en
pubchem: 13101
smiles: CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
inchikey: ZZMVLMVFYMGSMY-UHFFFAOYSA-N
broader: CHEMONTID_0003924
in scheme: Conceptschema Chemische Stoffen
notation: 4DC1yC4yAoDF

butafenacil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 134605-64-4
formula: C20H18ClF3N2O6
iupac name: (2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate @en
pubchem: 11826859
inchikey: JEDYYFXHPAIBGR-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: butfncl

caffeine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 95789-13-2
cas number: 58-08-2
cas number: 71701-02-5
formula: C8H10N4O2
inchi: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
iupac name: 1,3,7-trimethylpurine-2,6-dione @en
pubchem: 2519
smiles: CN1C=NC2=C1C(=O)N(C(=O)N2C)C
inchikey: RYYVLZVUVIJVGH-UHFFFAOYSA-N
broader: CHEMONTID_0000247
in scheme: Conceptschema Chemische Stoffen
notation: caffine

N-acetyl-4-aminoantipyrine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 83-15-8
formula: C13H15N3O2
inchi: InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
iupac name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide @en
pubchem: 65743
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C
inchikey: OIAGWXKSCXPNNZ-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: Nact4Aoatprn

fluazifop-P
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 83066-88-0
formula: C15H12F3NO4
inchi: InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1
iupac name: (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid @en
pubchem: 91733
inchikey: YUVKUEAFAVKILW-SECBINFHSA-N
alternative label: fluazifop-p
broader: CHEMONTID_0004674
in scheme: Conceptschema Chemische Stoffen
notation: fluazfpP

demefion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8065-62-1
formula: C10H26O6P2S4
inchi: InChI=1S/2C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3;1-6-9(10,7-2)8-4-5-11-3/h2*4-5H2,1-3H3
iupac name: dimethoxy-(2-methylsulfanylethoxy)-sulfanylidenephosphorane; 1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane @en
pubchem: 115122
smiles: COP(=O)(OC)SCCSC.COP(=S)(OC)OCCSC
inchikey: ZIBCESDMUREVIU-UHFFFAOYSA-N
broader: CHEMONTID_0003384
in scheme: Conceptschema Chemische Stoffen
notation: demfon

2,4-xylidine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 95-68-1
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
iupac name: 2,4-Dimethylaniline @en
pubchem: 7250
smiles: CC1=CC(=C(C=C1)N)C
inchikey: CZZZABOKJQXEBO-UHFFFAOYSA-N
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: 24xyldne

chloorpropylaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 5836-10-2
formula: C17H16Cl2O3
inchi: InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
iupac name: propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate @en
pubchem: 22094
inchikey: AXGUBXVWZBFQGA-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: ClC3yat

silafluofen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 105024-66-6
formula: C25H29FO2Si
inchi: InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3
iupac name: (4-ethoxyphenyl)-[3-[4-fluoro-3-(phenoxy)phenyl]propyl]-dimethylsilane @en
pubchem: 92430
inchikey: HPYNBECUCCGGPA-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: silfofn

4-chloor-2-methylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1570-64-5
formula: C7H7ClO
inchi: InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
iupac name: 4-Chloro-2-methylphenol @en
pubchem: 14855
smiles: CC1=C(C=CC(=C1)Cl)O
inchikey: RHPUJHQBPORFGV-UHFFFAOYSA-N
broader: CHEMONTID_0001274
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl2C1yFol

tributylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 102-82-9
cas number: 168153-19-3
formula: C12H27N
inchi: InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
iupac name: N,N-dibutylbutan-1-amine @en
pubchem: 7622
smiles: CCCCN(CCCC)CCCC
inchikey: IMFACGCPASFAPR-UHFFFAOYSA-N
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
notation: TC4yAe

fluacrypyrim
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 229977-93-9
formula: C20H21F3N2O5
inchi: InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+
iupac name: methyl (E)-3-methoxy-2-[2-[[2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate @en
pubchem: 9954185
inchikey: MXWAGQASUDSFBG-RVDMUPIBSA-N
broader: CHEMONTID_0004203
in scheme: Conceptschema Chemische Stoffen
notation: fluacprm

methyloctacosanoaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 55682-92-3
formula: C29H58O2
iupac name: METHYL OCTACOSANOATE @en
pubchem: 41518
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
inchikey: ZKHOYAKAFALNQD-UHFFFAOYSA-N
broader: CHEMONTID_0003417
in scheme: Conceptschema Chemische Stoffen
notation: C1yC28aoat

isodrin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 465-73-6
formula: C12H8Cl6
inchi: InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10-,11+
iupac name: (1S,2R,3R,6S,7S,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene @en
pubchem: 222548
inchikey: QBYJBZPUGVGKQQ-SEIHLVFNSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: idn

1,3-dichloorbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 63697-17-6
cas number: 541-73-1
formula: C6H4Cl2
inchi: InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
iupac name: 1,3-Dichlorobenzene @en
pubchem: 10943
smiles: C1=CC(=CC(=C1)Cl)Cl
inchikey: ZPQOPVIELGIULI-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 13DClBen

paraoxon-ethyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 311-45-5
formula: C10H14NO6P
inchi: InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
iupac name: diethyl (4-nitrophenyl) phosphate @en
pubchem: 9395
smiles: CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
inchikey: WYMSBXTXOHUIGT-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: paroonC2y

tetramethylammoniumchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 75-57-0
cas number: 79098-37-6
cas number: 51-92-3
formula: C4H12ClN
inchi: InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
iupac name: tetramethylazanium chloride @en
pubchem: 6379
smiles: C[N+](C)(C)C.[Cl-]
inchikey: OKIZCWYLBDKLSU-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: T4C1yNH4Cl

3,4-methyleendioxyamfetamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 4764-17-4
formula: C10H13NO2
inchi: InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
iupac name: 1-(1,3-benzodioxol-5-yl)propan-2-amine @en
pubchem: 1614
smiles: CC(CC1=CC2=C(C=C1)OCO2)N
inchikey: NGBBVGZWCFBOGO-UHFFFAOYSA-N
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: 34C1yeDoxafA

2,2,4-trimethylpentaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 31921-36-5
cas number: 540-84-1
formula: C8H18
inchi: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
iupac name: 2,2,4-Trimethylpentane @en
pubchem: 10907
smiles: CC(C)CC(C)(C)C
inchikey: NHTMVDHEPJAVLT-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 224TC1yC5a

oleandomycin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3922-90-5
formula: C35H61NO12
inchi: InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1
iupac name: (3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione @en
pubchem: 72493
inchikey: RZPAKFUAFGMUPI-QESOVKLGSA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: oladmcn

osmium 185
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15766-50-4
formula: Os
inchi: InChI=1S/Os/i1-5
iupac name: osmium-185 @en
pubchem: 167423
smiles: [Os]
inchikey: SYQBFIAQOQZEGI-FTXFMUIASA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Os185

codlemon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 76600-88-9
cas number: 33956-49-9
formula: C12H22O
inchi: InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+
iupac name: ['(8E,10E)-dodeca-8,10-dien-1-ol', 'dodeca-8,10-dien-1-ol'] @en
pubchem: 1787910
smiles: CC=CC=CCCCCCCCO
inchikey: CSWBSLXBXRFNST-MQQKCMAXSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: codlmn

meprobamaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 57-53-4
formula: C9H18N2O4
inchi: InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
iupac name: [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate @en
pubchem: 4064
smiles: CCCC(C)(COC(=O)N)COC(=O)N
inchikey: NPPQSCRMBWNHMW-UHFFFAOYSA-N
broader: CHEMONTID_0001162
in scheme: Conceptschema Chemische Stoffen
notation: mepbmt

tetramethrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 52556-74-8
cas number: 7696-12-0
cas number: 5284-41-3
cas number: 28643-67-6
cas number: 1166-46-7
formula: C19H25NO4
inchi: InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15+/m1/s1
iupac name: (1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 24365
inchikey: CXBMCYHAMVGWJQ-CABCVRRESA-N
broader: CHEMONTID_0001820
in scheme: Conceptschema Chemische Stoffen
notation: T4mtn

1-hexanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 220713-27-9
cas number: 111-27-3
cas number: 25917-35-5
formula: C6H14O
inchi: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
iupac name: HEXAN-1-OL @en
pubchem: 8103
smiles: CCCCCCO
inchikey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 1C6Ol

2-methyl-3-butyn-2-ol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 115-19-5
cas number: 140705-79-9
cas number: 67539-62-2
formula: C5H8O
inchi: InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
iupac name: 2-Methylbut-3-yn-2-ol @en
pubchem: 8258
smiles: CC(C)(C#C)O
inchikey: CEBKHWWANWSNTI-UHFFFAOYSA-N
broader: CHEMONTID_0001373
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y3C4yn2ol

esfenvaleraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 67890-40-8
cas number: 66230-04-4
cas number: 72650-28-3
formula: C25H22ClNO3
inchi: InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m0/s1
iupac name: [(R)-cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate @en
pubchem: 5361514
smiles: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
inchikey: NYPJDWWKZLNGGM-BJKOFHAPSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: esfvlrt

chloordaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 53637-13-1
cas number: 5103-71-9
cas number: 17436-70-3
cas number: 33442-85-2
cas number: 39400-80-1
cas number: 52917-96-1
cas number: 5103-74-2
cas number: 28181-89-7
cas number: 67672-92-8
cas number: 26703-86-6
cas number: 52002-35-4
cas number: 57-74-9
cas number: 28140-46-7
cas number: 12789-03-6
cas number: 22212-52-8
formula: C10H6Cl8
inchi: InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2
iupac name: 1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene @en
pubchem: 5993
inchikey: BIWJNBZANLAXMG-UHFFFAOYSA-N
alternative label: cis-chloordaan
alternative label: cis-chloordaan trans-chloordaan
alternative label: trans-chloordaan
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: cCldn
notation: Cldn
notation: tCldn

benzocaine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 71123-91-6
cas number: 94-09-7
formula: C9H11NO2
inchi: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
iupac name: Ethyl 4-aminobenzoate @en
pubchem: 2337
smiles: CCOC(=O)C1=CC=C(C=C1)N
inchikey: BLFLLBZGZJTVJG-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: benzcine

dotriacontaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 544-85-4
formula: C32H66
iupac name: DOTRIACONTANE @en
pubchem: 11008
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: QHMGJGNTMQDRQA-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C32a

fenobarbital
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 50-06-6
cas number: 46755-67-3
cas number: 11097-06-6
formula: C12H12N2O3
inchi: InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
iupac name: 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione @en
pubchem: 4763
smiles: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
inchikey: DDBREPKUVSBGFI-UHFFFAOYSA-N
broader: CHEMONTID_0000292
in scheme: Conceptschema Chemische Stoffen
notation: fenbbtl

tetraconazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 112281-77-3
formula: C13H11Cl2F4N3O
iupac name: 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole @en
pubchem: 80277
inchikey: LQDARGUHUSPFNL-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: T4cnzl

morfoline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 147366-31-2
cas number: 99108-56-2
cas number: 61791-40-0
cas number: 110-91-8
cas number: 88542-81-8
cas number: 96122-95-1
formula: C4H9NO
inchi: InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
iupac name: Morpholine @en
pubchem: 8083
smiles: C1COCCN1
inchikey: YNAVUWVOSKDBBP-UHFFFAOYSA-N
broader: CHEMONTID_0000392
in scheme: Conceptschema Chemische Stoffen
notation: morflne

cumafos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 56-72-4
formula: C14H16ClO5PS
inchi: InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
iupac name: 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one @en
pubchem: 2871
inchikey: BXNANOICGRISHX-UHFFFAOYSA-N
broader: CHEMONTID_0000145
in scheme: Conceptschema Chemische Stoffen
notation: cumfs

sotalol, waterstofchloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 959-24-0
formula: C12H21ClN2O3S
inchi: InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H
iupac name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride @en
pubchem: 66245
smiles: CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl
inchikey: VIDRYROWYFWGSY-UHFFFAOYSA-N
broader: CHEMONTID_0000038
in scheme: Conceptschema Chemische Stoffen

safrol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 94-59-7
cas number: 1406-55-9
cas number: 8022-92-2
formula: C10H10O2
inchi: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
iupac name: 5-prop-2-enyl-1,3-benzodioxole @en
pubchem: 5144
smiles: C=CCC1=CC2=C(C=C1)OCO2
inchikey: ZMQAAUBTXCXRIC-UHFFFAOYSA-N
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: safl

1,2,3,4,7,8-hexachloordibenzofuraan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
cas number: 70648-26-9
formula: C12H2Cl6O
inchi: InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H
iupac name: 1,2,3,4,7,8-HEXACHLORODIBENZOFURAN @en
pubchem: 51130
inchikey: LVYBAQIVPKCOEE-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,4,7,8-hexachloordibenzofuran
alternative label: 1,2,3,4,7,8-hexachloordibenzofuraan (hxcdf)
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF118

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-on
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14901-07-6
cas number: 79-77-6
cas number: 35031-06-2
formula: C13H20O
inchi: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
iupac name: ['4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one', '(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one'] @en
pubchem: 638014
smiles: CC1=C(C(CCC1)(C)C)C=CC(=O)C
inchikey: PSQYTAPXSHCGMF-BQYQJAHWSA-N
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: 4266TC1y1ccC

t-butylacetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 540-88-5
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
iupac name: tert-Butyl acetate @en
pubchem: 10908
smiles: CC(=O)OC(C)(C)C
inchikey: WMOVHXAZOJBABW-UHFFFAOYSA-N
is referenced by: LUC IV 004
is referenced by: LUC IV 012
alternative label: tertiair-butylacetaat
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: ttC4yactt

2,3,3'-trichloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 38444-84-7
formula: C12H7Cl3
inchi: InChI=1S/C12H7Cl3/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H
iupac name: 1,2-dichloro-3-(3-chlorophenyl)benzene @en
pubchem: 38034
smiles: C1=CC(=CC(=C1)Cl)C2=C(C(=CC=C2)Cl)Cl
inchikey: SXHLTVKPNQVZGL-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB20

hexachloorcyclohexaan, alle isomeren
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 60291-32-9
cas number: 6108-11-8
cas number: 20437-97-2
cas number: 608-73-1
cas number: 89609-19-8
cas number: 6108-13-0
cas number: 39284-22-5
cas number: 6108-12-9
formula: C6H6Cl6
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
iupac name: 1,2,3,4,5,6-Hexachlorocyclohexane @en
pubchem: 727
smiles: C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
inchikey: JLYXXMFPNIAWKQ-UHFFFAOYSA-N
alternative label: lindaan
alternative label: som hexachloorcyclohexaan-isomeren
broader: CHEMONTID_0004485
in scheme: Conceptschema Chemische Stoffen
notation: HCH

dichloorprop
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 120-36-5
cas number: 7547-66-2
formula: C9H8Cl2O3
inchi: InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
iupac name: 2-(2,4-Dichlorophenoxy)propanoic acid @en
pubchem: 8427
smiles: CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
inchikey: MZHCENGPTKEIGP-UHFFFAOYSA-N
alternative label: dichlorprop
alternative label: 2,4-dichloorfenoxypropionzuur
broader: CHEMONTID_0004676
in scheme: Conceptschema Chemische Stoffen
notation: 24DP

chloorxylenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 88-04-0
formula: C8H9ClO
inchi: InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
iupac name: 4-Chloro-3,5-dimethylphenol @en
pubchem: 2723
smiles: CC1=CC(=CC(=C1Cl)C)O
inchikey: OSDLLIBGSJNGJE-UHFFFAOYSA-N
alternative label: 4-chloor-3,5-dimethylfenol
broader: CHEMONTID_0001273
in scheme: Conceptschema Chemische Stoffen
notation: clxlnl

genistein
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 446-72-0
formula: C15H10O5
inchi: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
iupac name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one @en
pubchem: 5280961
inchikey: TZBJGXHYKVUXJN-UHFFFAOYSA-N
broader: CHEMONTID_0000494
in scheme: Conceptschema Chemische Stoffen
notation: gensn

2-isopropylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 88-69-7
cas number: 25168-06-3
formula: C9H12O
inchi: InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
iupac name: 2-propan-2-ylphenol @en
pubchem: 6943
smiles: CC(C)C1=CC=CC=C1O
inchikey: CRBJBYGJVIBWIY-UHFFFAOYSA-N
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: 2iC3yFol

paraquat-dichloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 136338-65-3
cas number: 57593-74-5
cas number: 65982-50-5
cas number: 1910-42-5
cas number: 247050-57-3
cas number: 3765-78-4
cas number: 205105-68-6
formula: C12H14Cl2N2
inchi: InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2
iupac name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride @en
pubchem: 15938
smiles: C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]
inchikey: FIKAKWIAUPDISJ-UHFFFAOYSA-L
broader: CHEMONTID_0000326
in scheme: Conceptschema Chemische Stoffen
notation: pqtDCl

3-chloor-1,1,1-trifluorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 673-93-8
cas number: 460-35-5
formula: C3H4ClF3
inchi: InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2
iupac name: ['3-Chloro-1,1,1-trifluoropropane', '1-chloro-3,3,3-trifluoroprop-1-yne'] @en
pubchem: 10000
smiles: C(CCl)C(F)(F)F
inchikey: ZPIFKCVYZBVZIV-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK253fb

tantalum 182
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13982-00-8
formula: Ta
inchi: InChI=1S/Ta/i1+1
iupac name: tantalum-182 @en
pubchem: 161013
smiles: [Ta]
inchikey: GUVRBAGPIYLISA-OUBTZVSYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ta182

4-chloor-2,6-dinitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5388-62-5
formula: C6H4ClN3O4
inchi: InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2
iupac name: 4-Chloro-2,6-dinitroaniline @en
pubchem: 21484
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Cl
inchikey: CLMQUEQFVUMDPC-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl26DNO2An

dodecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 93924-07-3
cas number: 112-40-3
cas number: 129813-67-8
formula: C12H26
inchi: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
iupac name: Dodecane @en
pubchem: 8182
smiles: CCCCCCCCCCCC
inchikey: SNRUBQQJIBEYMU-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C12a

n-nitrosomorfoline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 67587-56-8
cas number: 59-89-2
formula: C4H8N2O2
inchi: InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2
iupac name: 4-Nitrosomorpholine @en
pubchem: 6046
smiles: C1COCCN1N=O
inchikey: ZKXDGKXYMTYWTB-UHFFFAOYSA-N
alternative label: N-nitrosomorfoline
broader: CHEMONTID_0000392
in scheme: Conceptschema Chemische Stoffen
notation: NNO2smflne

octachloornaftaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2234-13-1
formula: C10Cl8
iupac name: 1,2,3,4,5,6,7,8-Octachloronaphthalene @en
pubchem: 16692
inchikey: RTNLUFLDZOAXIC-UHFFFAOYSA-N
broader: CHEMONTID_0004794
in scheme: Conceptschema Chemische Stoffen
notation: OcClNaf

methoxychloor
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 72-43-5
formula: C16H15Cl3O2
inchi: InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3
iupac name: 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene @en
pubchem: 4115
inchikey: IAKOZHOLGAGEJT-UHFFFAOYSA-N
alternative label: p,p’-methoxychlor
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: C1oxCl

ertapenem
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 153832-46-3
formula: C22H25N3O7S
iupac name: (4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid @en
pubchem: 150610
inchikey: JUZNIMUFDBIJCM-ANEDZVCMSA-N
broader: CHEMONTID_0002362
in scheme: Conceptschema Chemische Stoffen
notation: ertpnm

acetylhexamethyltetrahydronaftaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 131433-13-1
cas number: 21145-77-7
cas number: 1506-02-1
formula: C18H26O
inchi: InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
iupac name: 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone @en
pubchem: 89440
inchikey: DNRJTBAOUJJKDY-UHFFFAOYSA-N
alternative label: tonalide
broader: CHEMONTID_0000048
in scheme: Conceptschema Chemische Stoffen
notation: AHTN
notation: ATHN

waterstofchloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'HCl'
comment: VLAR II bijl. 2.5.1 'chloorwaterstof'
comment: VLAR III (D3) 'waterstofchloride (HCl)'
comment: VLAR II (D5, diverse art) 'HCl'
cas number: 7647-01-0
cas number: 113962-65-5
cas number: 51005-19-7
cas number: 61674-62-2
cas number: 218625-68-4
formula: ClH
inchi: InChI=1S/ClH/h1H
iupac name: ['hydrogen chloride', 'hydron chloride'] @en
pubchem: 313
smiles: Cl
inchikey: VEXZGXHMUGYJMC-UHFFFAOYSA-N
is referenced by: LUC III 001
alternative label: zoutzuur
broader: CHEMONTID_0000548
in scheme: Conceptschema Chemische Stoffen
notation: HCl

aluminiumsulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10043-01-3
cas number: 131315-49-6
cas number: 10043-67-1
formula: AlKO8S2
inchi: InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4
iupac name: Aluminum potassium disulfate @en
pubchem: 24856
smiles: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+]
inchikey: GRLPQNLYRHEGIJ-UHFFFAOYSA-J
in scheme: Conceptschema Chemische Stoffen
notation: AlSO4

1,2,3,4,6,7,8,9-octachloordibenzo-p-dioxine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
cas number: 3268-87-9
formula: C12Cl8O2
inchi: InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10
iupac name: 1,2,3,4,6,7,8,9-octachlorooxanthrene @en
pubchem: 18636
inchikey: FOIBFBMSLDGNHL-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: octachloordibenzo-para-dioxine
alternative label: octachloordibenzodioxine
alternative label: octachloordibenzodioxine (ocdd)
broader: CHEMONTID_0000420
in scheme: Conceptschema Chemische Stoffen
notation: PCDD75

carbazol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 86-74-8
formula: C12H9N
inchi: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
iupac name: 9H-Carbazole @en
pubchem: 6854
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3N2
inchikey: UJOBWOGCFQCDNV-UHFFFAOYSA-N
broader: CHEMONTID_0000210
in scheme: Conceptschema Chemische Stoffen
notation: carbzl

undecylbenzoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6316-30-9
formula: C18H28O2
inchi: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3
iupac name: Undecyl benzoate @en
pubchem: 229159
smiles: CCCCCCCCCCCOC(=O)C1=CC=CC=C1
inchikey: YEHGKFOTJWYCBN-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: C11ybzat

chlozolinaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 84332-86-5
cas number: 72391-46-9
formula: C13H11Cl2NO5
inchi: InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3
iupac name: ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate @en
pubchem: 51574
inchikey: IGUYEXXAGBDLLX-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: chlozlnt

bromuconazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 116255-48-2
formula: C13H12BrCl2N3O
iupac name: 1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole @en
pubchem: 3444
inchikey: HJJVPARKXDDIQD-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: bromcnzl

pirimicarb-desmethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 30614-22-3
formula: C10H16N4O2
inchi: InChI=1S/C10H16N4O2/c1-6-7(2)12-9(11-3)13-8(6)16-10(15)14(4)5/h1-5H3,(H,11,12,13)
iupac name: (5,6-dimethyl-2-methylaminopyrimidin-4-yl) N,N-dimethylcarbamate @en
pubchem: 93139
smiles: CC1=C(N=C(N=C1OC(=O)N(C)C)NC)C
inchikey: GTKRZJVAXAQBMB-UHFFFAOYSA-N
broader: CHEMONTID_0001262
in scheme: Conceptschema Chemische Stoffen
notation: pirmcdC1y

mesosulfuron-methyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 208465-21-8
formula: C17H21N5O9S2
inchi: InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)
iupac name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate @en
pubchem: 11409499
inchikey: NIFKBBMCXCMCAO-UHFFFAOYSA-N
broader: CHEMONTID_0004705
in scheme: Conceptschema Chemische Stoffen
notation: messfrnC1y

4-methylquinazoline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 700-46-9
formula: C9H8N2
inchi: InChI=1S/C9H8N2/c1-7-8-4-2-3-5-9(8)11-6-10-7/h2-6H,1H3
iupac name: 4-Methylquinazoline @en
pubchem: 241520
smiles: CC1=NC=NC2=CC=CC=C12
inchikey: JWEOEZZCZCCPJL-UHFFFAOYSA-N
broader: CHEMONTID_0000485
in scheme: Conceptschema Chemische Stoffen
notation: 4C1yqnzlne

isoprocarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2631-40-5
formula: C11H15NO2
inchi: InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)
iupac name: (2-propan-2-ylphenyl) N-methylcarbamate @en
pubchem: 17517
smiles: CC(C)C1=CC=CC=C1OC(=O)NC
inchikey: QBSJMKIUCUGGNG-UHFFFAOYSA-N
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: ipcb

cyclamaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 45951-45-9
cas number: 100-88-9
formula: C6H13NO3S
inchi: InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
iupac name: Cyclohexylsulfamic acid @en
pubchem: 7533
smiles: C1CCC(CC1)NS(=O)(=O)O
inchikey: HCAJEUSONLESMK-UHFFFAOYSA-N
broader: CHEMONTID_0000365
in scheme: Conceptschema Chemische Stoffen
notation: cycmt

2,3,4,6-tetrachlooraniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 654-36-4
formula: C6H3Cl4N
inchi: InChI=1S/C6H3Cl4N/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2
iupac name: 2,3,4,6-Tetrachloroaniline @en
pubchem: 3013925
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)N)Cl
inchikey: LXCLPHJRGDTDDB-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 2346T4ClAn

mangaan 54
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 13966-31-9
formula: Mn
inchi: InChI=1S/Mn/i1-1
iupac name: manganese-54 @en
pubchem: 104743
smiles: [Mn]
inchikey: PWHULOQIROXLJO-BJUDXGSMSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Mn54

thorium 227
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15623-47-9
formula: Th
inchi: InChI=1S/Th/i1-5
iupac name: thorium-227 @en
pubchem: 61806
smiles: [Th]
inchikey: ZSLUVFAKFWKJRC-FTXFMUIASA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Th227

cis-5-butyldihydro-4-methyl-2(3H)furanon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 55013-32-6
formula: C9H16O2
inchi: InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
iupac name: (4R,5R)-5-butyl-4-methyloxolan-2-one @en
pubchem: 41285
smiles: CCCCC1C(CC(=O)O1)C
inchikey: WNVCMFHPRIBNCW-HTQZYQBOSA-N
alternative label: cis-5-butyldihydro-4-methyl-2(3h)furanon
broader: CHEMONTID_0001245
in scheme: Conceptschema Chemische Stoffen
notation: c5C4yH4C1y23

1-methyldodecylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 4534-53-6
formula: C19H32
inchi: InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3
iupac name: tridecan-2-ylbenzene @en
pubchem: 20636
smiles: CCCCCCCCCCCC(C)C1=CC=CC=C1
inchikey: FCXPVFLEDIQLLO-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 1C1yC12yBen

neodecaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 26896-20-8
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
iupac name: 2-ethyl-2,5-dimethylhexanoic acid @en
pubchem: 62817
smiles: CCC(C)(CCC(C)C)C(=O)O
inchikey: PKJSRUTWBDIWAR-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: neoC10azr

ethyleenimine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 9077-52-5
cas number: 99932-76-0
cas number: 66456-64-2
cas number: 96956-22-8
cas number: 96956-23-9
cas number: 145379-92-6
cas number: 151-56-4
cas number: 39289-19-5
cas number: 81210-09-5
cas number: 81210-07-3
cas number: 69522-69-6
cas number: 92047-44-4
cas number: 68130-98-3
cas number: 9002-98-6
cas number: 68130-99-4
cas number: 81210-08-4
cas number: 96956-24-0
formula: C2H5N
inchi: InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2
iupac name: Aziridine @en
pubchem: 9033
smiles: C1CN1
inchikey: NOWKCMXCCJGMRR-UHFFFAOYSA-N
broader: CHEMONTID_0000103
in scheme: Conceptschema Chemische Stoffen
notation: C2yeimne

azinfos-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 54182-73-9
cas number: 86-50-0
formula: C10H12N3O3PS2
pubchem: 2268
smiles: COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1
inchikey: CJJOSEISRRTUQB-UHFFFAOYSA-N
alternative label: methylazinfos
broader: CHEMONTID_0004660
in scheme: Conceptschema Chemische Stoffen
notation: C1yazfs

diethyleendiamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 8057-14-5
cas number: 81546-15-8
cas number: 8027-81-4
cas number: 110-85-0
cas number: 8017-90-1
formula: C4H10N2
inchi: InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
iupac name: Piperazine @en
pubchem: 4837
smiles: C1CNCCN1
inchikey: GLUUGHFHXGJENI-UHFFFAOYSA-N
broader: CHEMONTID_0000189
in scheme: Conceptschema Chemische Stoffen
notation: DC2yeDAe

C9-rijk di-C8-10-vertakt alkylftalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 28553-12-0
cas number: 68515-48-0
formula: C26H42O4
inchi: InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
iupac name: bis(7-methyloctyl) benzene-1,2-dicarboxylate @en
pubchem: 590836
inchikey: HBGGXOJOCNVPFY-UHFFFAOYSA-N
alternative label: di-isononylftalaat (mix van isomeren)
alternative label: diisononylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: C9D810akFt
notation: DiC9yFt

2-ethylhexaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 56006-48-5
cas number: 61788-37-2
cas number: 149-57-5
cas number: 202054-39-5
cas number: 83829-68-9
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
iupac name: 2-Ethylhexanoic acid @en
pubchem: 8697
smiles: CCCCC(CC)C(=O)O
inchikey: OBETXYAYXDNJHR-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yC6azr

boscalid
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 188425-85-6
formula: C18H12Cl2N2O
inchi: InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
iupac name: 2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide @en
pubchem: 213013
inchikey: WYEMLYFITZORAB-UHFFFAOYSA-N
broader: CHEMONTID_0004712
in scheme: Conceptschema Chemische Stoffen
notation: boscld

triclopyr-butoxyethylester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 64700-56-7
cas number: 64470-88-8
formula: C13H16Cl3NO4
inchi: InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3
iupac name: 2-butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate @en
pubchem: 47455
smiles: CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl
inchikey: IVDRCZNHVGQBHZ-UHFFFAOYSA-N
broader: CHEMONTID_0003971
in scheme: Conceptschema Chemische Stoffen
notation: TcpC4OxC2yEs

2,4,6-trichlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 634-93-5
formula: C6H4Cl3N
inchi: InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
iupac name: 2,4,6-Trichloroaniline @en
pubchem: 12471
smiles: C1=C(C=C(C(=C1Cl)N)Cl)Cl
inchikey: NATVSFWWYVJTAZ-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 246TClAn

bis(2-ethylhexyl)tereftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 6422-86-2
cas number: 144981-82-8
formula: C24H38O4
inchi: InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
iupac name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate @en
pubchem: 22932
inchikey: RWPICVVBGZBXNA-UHFFFAOYSA-N
broader: CHEMONTID_0004012
in scheme: Conceptschema Chemische Stoffen
notation: DEHTP

ronidazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7681-76-7
formula: C6H8N4O4
inchi: InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)
iupac name: (1-Methyl-5-nitroimidazol-2-yl)methyl carbamate @en
pubchem: 5094
smiles: CN1C(=CN=C1COC(=O)N)[N+](=O)[O-]
inchikey: PQFRTXSWDXZRRS-UHFFFAOYSA-N
broader: CHEMONTID_0000242
in scheme: Conceptschema Chemische Stoffen
notation: rondzl

etoxazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 153233-91-1
formula: C21H23F2NO2
inchi: InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3
iupac name: 4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole @en
pubchem: 153974
inchikey: IXSZQYVWNJNRAL-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: etxzl

oxadixyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 77732-09-3
formula: C14H18N2O4
inchi: InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3
iupac name: N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide @en
pubchem: 53735
smiles: CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O
inchikey: UWVQIROCRJWDKL-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: OaDxl

wolfraam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7440-33-7
cas number: 37374-90-6
cas number: 22541-98-6
formula: W
inchi: InChI=1S/W
iupac name: Tungsten @en
pubchem: 23964
smiles: [W]
inchikey: WFKWXMTUELFFGS-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: W

trichostatin A
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 58880-19-6
formula: C17H22N2O3
inchi: InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+
iupac name: ['7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide', '(2E,4E)-7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide'] @en
pubchem: 6376322
inchikey: RTKIYFITIVXBLE-WKWSCTOISA-N
alternative label: trichostatin a
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: TcstnA

2-methoxy-1-propanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1589-47-5
cas number: 148616-44-8
cas number: 28677-93-2
formula: C4H10O2
inchi: InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3
iupac name: 2-methoxypropan-1-ol @en
pubchem: 14846
smiles: CC(CO)OC
inchikey: YTTFFPATQICAQN-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 2C1ox1C3ol

4-broomfenylfenylether
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 101-55-3
formula: C12H9BrO
inchi: InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
iupac name: 1-bromo-4-(phenoxy)benzene @en
pubchem: 7565
smiles: C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
inchikey: JDUYPUMQALQRCN-UHFFFAOYSA-N
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen
notation: 4BrFyFyEtr

dimethylchloorthiofosfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2524-03-0
formula: C2H6ClO2PS
inchi: InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3
iupac name: chloro-dimethoxy-sulfanylidenephosphorane @en
pubchem: 17304
smiles: COP(=S)(OC)Cl
inchikey: XFBJRFNXPUCPKU-UHFFFAOYSA-N
broader: CHEMONTID_0001572
in scheme: Conceptschema Chemische Stoffen
notation: DC1yCltoPO4

pcb 180
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 35065-29-3
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H
iupac name: 1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene @en
pubchem: 37036
inchikey: WBHQEUPUMONIKF-UHFFFAOYSA-N
is referenced by: LUC VI 002
is referenced by: CMA 3 I
alternative label: PCB-180
alternative label: 2,2',3,4,4',5,5'-heptachloorbifenyl
alternative label: 2,2',3,4,4',5,5'-heptachloorbifenyl (pcb180)
alternative label: pcb-180
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB180

allopurinol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 184856-42-6
cas number: 315-30-0
cas number: 39464-14-7
cas number: 22767-92-6
formula: C5H4N4O
inchi: InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
iupac name: 1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one @en
pubchem: 2094
smiles: C1=C2C(=NC=NC2=O)NN1
inchikey: OFCNXPDARWKPPY-UHFFFAOYSA-N
broader: CHEMONTID_0004387
in scheme: Conceptschema Chemische Stoffen
notation: allprnl

n-butylmetacrylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55126-77-7
cas number: 37226-35-0
cas number: 122526-41-4
cas number: 97-88-1
cas number: 51568-49-1
cas number: 9003-63-8
cas number: 180254-70-0
cas number: 62169-30-6
cas number: 106152-15-2
cas number: 55922-77-5
cas number: 53801-42-6
cas number: 79331-93-4
cas number: 102135-84-2
cas number: 159172-35-7
cas number: 9011-15-8
cas number: 66828-11-3
formula: C8H14O2
inchi: InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3
iupac name: butyl 2-methylprop-2-enoate @en
pubchem: 7354
smiles: CCCCOC(=O)C(=C)C
inchikey: SOGAXMICEFXMKE-UHFFFAOYSA-N
alternative label: butylmethacrylaat
broader: CHEMONTID_0003626
in scheme: Conceptschema Chemische Stoffen
notation: C4ymtclt

fenoxycarb
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 79127-80-3
cas number: 72490-01-8
formula: C17H19NO4
inchi: InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
iupac name: ethyl N-[2-[4-(phenoxy)phenoxy]ethyl]carbamate @en
pubchem: 51605
smiles: CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2
inchikey: HJUFTIJOISQSKQ-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: fenOxcb

kwik 203
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13982-78-0
formula: Hg
inchi: InChI=1S/Hg/i1+2
iupac name: mercury-203 @en
pubchem: 104771
smiles: [Hg]
inchikey: QSHDDOUJBYECFT-NJFSPNSNSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Hg203

4-chloor-3-methylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7149-75-9
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
iupac name: 4-Chloro-3-methylaniline @en
pubchem: 23536
smiles: CC1=C(C=CC(=C1)N)Cl
inchikey: HIHCTGNZNHSZPP-UHFFFAOYSA-N
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl3C1yAn

17-alfa-ethinylestradiol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 57-63-6
cas number: 77538-56-8
formula: C20H24O2
inchi: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
iupac name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol @en
pubchem: 5991
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
inchikey: BFPYWIDHMRZLRN-SLHNCBLASA-N
alternative label: ethinylestradiol
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
notation: etnetDol

benalaxyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 71626-11-4
formula: C20H23NO3
inchi: InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
iupac name: methyl 2-[(2,6-dimethylphenyl)-(2-phenylacetyl)amino]propanoate @en
pubchem: 51369
inchikey: CJPQIRJHIZUAQP-UHFFFAOYSA-N
broader: CHEMONTID_0000394
in scheme: Conceptschema Chemische Stoffen
notation: benlxl

lysergide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 50-37-3
formula: C20H25N3O
inchi: InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
iupac name: (6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide @en
pubchem: 5761
inchikey: VAYOSLLFUXYJDT-RDTXWAMCSA-N
broader: CHEMONTID_0002680
in scheme: Conceptschema Chemische Stoffen
notation: LSD

fosfolan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 99910-17-5
cas number: 947-02-4
formula: C7H14NO3PS2
inchi: InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3
iupac name: N-diethoxyphosphoryl-1,3-dithiolan-2-imine @en
pubchem: 13689
smiles: CCOP(=O)(N=C1SCCS1)OCC
inchikey: ILBONRFSLATCRE-UHFFFAOYSA-N
broader: CHEMONTID_0000408
in scheme: Conceptschema Chemische Stoffen
notation: fosfln

kalium N-methyldithiocarbamaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 137-41-7
formula: C2H4KNS2
inchi: InChI=1S/C2H5NS2.K/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1
iupac name: potassium methylaminomethanedithioate @en
pubchem: 8725
smiles: CN=C(S)[S-].[K+]
inchikey: DQRQIQZHRCRSDB-UHFFFAOYSA-M
alternative label: kalium n-methyldithiocarbamaat
broader: CHEMONTID_0004099
in scheme: Conceptschema Chemische Stoffen
notation: KNC1yDtocbmt

diethatylethyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 38727-55-8
cas number: 51142-20-2
cas number: 52002-01-4
cas number: 62180-86-3
formula: C16H22ClNO3
inchi: InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3
iupac name: ethyl 2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetate @en
pubchem: 38090
smiles: CCC1=C(C(=CC=C1)CC)N(CC(=O)OCC)C(=O)CCl
inchikey: WFKSADNZWSKCRZ-UHFFFAOYSA-N
broader: CHEMONTID_0000394
in scheme: Conceptschema Chemische Stoffen
notation: DettC2y

7H-dibenzo(c,g)carbazol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 194-59-2
cas number: 28641-62-5
formula: C20H13N
inchi: InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H
iupac name: 12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene @en
pubchem: 9134
inchikey: STJXCDGCXVZHDU-UHFFFAOYSA-N
alternative label: 7h-dibenzo(c,g)carbazol
broader: CHEMONTID_0000210
in scheme: Conceptschema Chemische Stoffen
notation: 7HDbzcgcbzl

chloorpyrifos-ethyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 12768-48-8
cas number: 39475-55-3
cas number: 2921-88-2
formula: C9H11Cl3NO3PS
iupac name: diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane @en
pubchem: 2730
smiles: CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
inchikey: SBPBAQFWLVIOKP-UHFFFAOYSA-N
alternative label: ethylchloorpyrifos
alternative label: chloorpyrifos
alternative label: chlorpyrifos
broader: CHEMONTID_0004623
in scheme: Conceptschema Chemische Stoffen
notation: C2yClprfs

acetamiprid
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 160430-64-8
cas number: 135410-20-7
formula: C10H11ClN4
inchi: InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3
iupac name: N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide @en
pubchem: 213021
smiles: CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl
inchikey: WCXDHFDTOYPNIE-UHFFFAOYSA-N
broader: CHEMONTID_0004532
in scheme: Conceptschema Chemische Stoffen
notation: actmpd

alfa-cypermethrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 67375-30-8
cas number: 70982-02-4
formula: C22H19Cl2NO3
inchi: InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 49833
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
inchikey: KAATUXNTWXVJKI-DXCJPMOASA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: acpmtn

natriumsilicaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 12001-15-9
cas number: 10213-79-3
cas number: 1344-09-8
formula: H10Na2O8Si
inchi: InChI=1S/2Na.O3Si.5H2O/c;;1-4(2)3;;;;;/h;;;5*1H2/q2*+1;-2;;;;;
iupac name: disodium dioxido-oxosilane pentahydrate @en
pubchem: 61495
smiles: O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]
inchikey: ADPGKKZKGXANON-UHFFFAOYSA-N
broader: CHEMONTID_0000901
in scheme: Conceptschema Chemische Stoffen
notation: NaSiO2

isobutylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 78-81-9
formula: C4H11N
inchi: InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
iupac name: 2-methylpropan-1-amine @en
pubchem: 6558
smiles: CC(C)CN
inchikey: KDSNLYIMUZNERS-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: iC4yAe

captafol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2425-06-1
cas number: 2939-80-2
cas number: 61913-12-0
cas number: 30017-05-1
formula: C10H9Cl4NO2S
inchi: InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2
iupac name: 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione @en
pubchem: 17038
smiles: C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl
inchikey: JHRWWRDRBPCWTF-UHFFFAOYSA-N
broader: CHEMONTID_0001820
in scheme: Conceptschema Chemische Stoffen
notation: captfl

perfluor-n-tetradecaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 376-06-7
formula: C14HF27O2
inchi: InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid @en
pubchem: 67822
inchikey: RUDINRUXCKIXAJ-UHFFFAOYSA-N
alternative label: perfluor-n-tetradecaanzuur (pfteda)
alternative label: perfluortetradecaanzuur
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: PFTeDA

2-chloortolueen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 95-49-8
formula: C7H7Cl
inchi: InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
iupac name: 1-Chloro-2-methylbenzene @en
pubchem: 7238
smiles: CC1=CC=CC=C1Cl
inchikey: IBSQPLPBRSHTTG-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: 2ClTol

gadoxeetzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 135326-11-3
formula: C23H30GdN3O11
inchi: InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/t17-;/m0./s1
iupac name: 2-[[(2S)-2-[bis(2-oxido-2-oxoethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation; hydron @en
pubchem: 219084
smiles: [H+].[H+].CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]
inchikey: PCZHWPSNPWAQNF-LMOVPXPDSA-K
broader: CHEMONTID_0002995
in scheme: Conceptschema Chemische Stoffen
notation: gadxzr

ijzerpentacarbonyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 37220-42-1
cas number: 36823-35-5
cas number: 540770-45-4
cas number: 13463-40-6
formula: C5FeO5
inchi: InChI=1S/5CO.Fe/c5*1-2;
iupac name: carbon monoxide; iron @en
pubchem: 26040
smiles: C=O.C=O.C=O.C=O.C=O.[Fe]
inchikey: FYOFOKCECDGJBF-UHFFFAOYSA-N
broader: CHEMONTID_0001270
in scheme: Conceptschema Chemische Stoffen
notation: FePecbnl

1,2-butyleenoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1331-08-4
cas number: 106-88-7
cas number: 55555-96-9
cas number: 26249-20-7
cas number: 59915-64-9
cas number: 26140-56-7
cas number: 38721-59-4
cas number: 28347-41-3
formula: C4H8O
inchi: InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
iupac name: 2-Ethyloxirane @en
pubchem: 7834
smiles: CCC1CO1
inchikey: RBACIKXCRWGCBB-UHFFFAOYSA-N
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
notation: 12C4yeO

1,4-di-isopropylbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 100-18-5
cas number: 700-18-5
formula: C12H18
inchi: InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
iupac name: 1,4-di(propan-2-yl)benzene @en
pubchem: 7486
smiles: CC(C)C1=CC=C(C=C1)C(C)C
inchikey: SPPWGCYEYAMHDT-UHFFFAOYSA-N
broader: CHEMONTID_0000051
in scheme: Conceptschema Chemische Stoffen
notation: 14DiC3yeBen

dodecaanamide N,N-bis2-hydroxyethyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 72968-36-6
cas number: 83590-20-9
cas number: 39341-48-5
cas number: 15517-64-3
cas number: 83452-99-7
cas number: 92680-75-6
cas number: 120-40-1
formula: C16H33NO3
inchi: InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3
iupac name: N,N-Bis(2-hydroxyethyl)dodecanamide @en
pubchem: 8430
smiles: CCCCCCCCCCCC(=O)N(CCO)CCO
inchikey: AOMUHOFOVNGZAN-UHFFFAOYSA-N
alternative label: dodecaanamide n,n-bis2-hydroxyethyl
broader: CHEMONTID_0001096
in scheme: Conceptschema Chemische Stoffen
notation: C12aAdNNb2Ho

texanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 25134-27-4
cas number: 80525-37-7
cas number: 77-68-9
cas number: 141136-23-4
cas number: 25265-77-4
cas number: 129383-05-7
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
iupac name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate @en
pubchem: 6490
smiles: CC(C)C(C(C)(C)COC(=O)C(C)C)O
inchikey: DAFHKNAQFPVRKR-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: texanl

n-acetyl-3,4-methyleendioxyamfetamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 36209-71-9
formula: C12H15NO3
inchi: InChI=1S/C12H15NO3/c1-8(13-9(2)14)5-10-3-4-11-12(6-10)16-7-15-11/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)
iupac name: N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]acetamide @en
pubchem: 297310
smiles: CC(CC1=CC2=C(C=C1)OCO2)NC(=O)C
inchikey: RSXXYTIHSOOFBG-UHFFFAOYSA-N
alternative label: N-acetyl-3,4-methyleendioxyamfetamine
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: Nact34C1yeDO

methylisothiocyanaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 556-61-6
formula: C2H3NS
inchi: InChI=1S/C2H3NS/c1-3-2-4/h1H3
iupac name: methylimino-sulfanylidenemethane @en
pubchem: 11167
smiles: CN=C=S
inchikey: LGDSHSYDSCRFAB-UHFFFAOYSA-N
broader: CHEMONTID_0001234
in scheme: Conceptschema Chemische Stoffen
notation: C1yitoCN

1,3,5-trimethylcyclohexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1795-27-3
cas number: 1839-63-0
cas number: 1795-26-2
formula: C9H18
inchi: InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3
iupac name: 1,3,5-Trimethylcyclohexane @en
pubchem: 35364
smiles: CC1CC(CC(C1)C)C
inchikey: ODNRTOSCFYDTKF-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: 135TC1yccC6a

2-(2,4,6-trichloorfenoxy)propion zuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 778-83-6
formula: C9H7Cl3O3
inchi: InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-6(11)2-5(10)3-7(8)12/h2-4H,1H3,(H,13,14)
iupac name: 2-(2,4,6-trichlorophenoxy)propanoic acid @en
pubchem: 248472
smiles: CC(C(=O)O)OC1=C(C=C(C=C1Cl)Cl)Cl
inchikey: HNDLJIIQWDVRRI-UHFFFAOYSA-N
broader: CHEMONTID_0004676
in scheme: Conceptschema Chemische Stoffen
notation: 2246TClfOxpp

tetrasul
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2227-13-6
formula: C12H6Cl4S
inchi: InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H
iupac name: 1,2,4-trichloro-5-(4-chlorophenyl)sulfanylbenzene @en
pubchem: 16685
smiles: C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl
inchikey: QUWSDLYBOVGOCW-UHFFFAOYSA-N
broader: CHEMONTID_0003864
in scheme: Conceptschema Chemische Stoffen
notation: T4sl

chloordimethylether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 107-30-2
formula: C2H5ClO
inchi: InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3
iupac name: chloro-methoxymethane @en
pubchem: 7864
smiles: COCCl
inchikey: XJUZRXYOEPSWMB-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: ClDC1yEtr

ethylacetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 141-78-6
formula: C4H8O2
inchi: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
iupac name: Ethyl acetate @en
pubchem: 8857
smiles: CCOC(=O)C
inchikey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 000
is referenced by: LUC IV 004
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: C2yactt

acetaminophen sulfaatester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 129396-21-0
cas number: 32113-41-0
cas number: 10066-90-7
formula: C8H8KNO5S
inchi: InChI=1S/C8H9NO5S.K/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13;/h2-5H,1H3,(H,9,10)(H,11,12,13);/q;+1/p-1
iupac name: potassium (4-acetamidophenyl) sulfate @en
pubchem: 6365369
smiles: CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
inchikey: AJYPYWFCUWHZMZ-UHFFFAOYSA-M
broader: CHEMONTID_0002626
in scheme: Conceptschema Chemische Stoffen
notation: actmnpSO4Esr

etrimfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 38260-54-7
formula: C10H17N2O4PS
inchi: InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3
iupac name: (6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidenephosphorane @en
pubchem: 37995
smiles: CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC
inchikey: FGIWFCGDPUIBEZ-UHFFFAOYSA-N
broader: CHEMONTID_0004771
in scheme: Conceptschema Chemische Stoffen
notation: etfs

methoxyazijnzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 625-45-6
formula: C3H6O3
inchi: InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
iupac name: 2-Methoxyacetic acid @en
pubchem: 12251
smiles: COCC(=O)O
inchikey: RMIODHQZRUFFFF-UHFFFAOYSA-N
broader: CHEMONTID_0001205
in scheme: Conceptschema Chemische Stoffen
notation: C1oxHAc

1,1-dibroomethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 557-91-5
cas number: 25620-62-6
formula: C2H4Br2
inchi: InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3
iupac name: 1,1-DIBROMOETHANE @en
pubchem: 11201
smiles: CC(Br)Br
inchikey: APQIUTYORBAGEZ-UHFFFAOYSA-N
broader: CHEMONTID_0001515
in scheme: Conceptschema Chemische Stoffen
notation: 11DBrC2a

anilazine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 101-05-3
formula: C9H5Cl3N4
inchi: InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
iupac name: 4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine @en
pubchem: 7541
smiles: C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl
inchikey: IMHBYKMAHXWHRP-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: anlzne

ethiofencarbsulfon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 53380-23-7
formula: C11H15NO4S
inchi: InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
iupac name: [2-(ethylsulfonylmethyl)phenyl] N-methylcarbamate @en
pubchem: 119490
smiles: CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC
inchikey: IOPTXXRNXCPJGO-UHFFFAOYSA-N
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: etofcbsfn

1,2,3,5-tetrachloorbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 634-90-2
cas number: 63697-21-2
formula: C6H2Cl4
inchi: InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
iupac name: 1,2,3,5-Tetrachlorobenzene @en
pubchem: 12468
smiles: C1=C(C=C(C(=C1Cl)Cl)Cl)Cl
inchikey: QZYNWJQFTJXIRN-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: 1235T4ClBen

1-methoxypropylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 84540-57-8
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-4-6(8-3)9-5(2)7/h6H,4H2,1-3H3
iupac name: 1-methoxypropyl acetate @en
pubchem: 3033863
smiles: CCC(OC)OC(=O)C
inchikey: ZAXXZBQODQDCOW-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: C1oxC3yactt

trifenyltinchloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 639-58-7
formula: 0
inchi: InChI=1S/3C6H5.Cl.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;;
iupac name: chloro-tri(phenyl)stannane @en
smiles: 0
inchikey: NRNWARROUIEBPJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

bitertanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55179-31-2
formula: C20H23N3O2
inchi: InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
iupac name: 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol @en
pubchem: 91656
inchikey: VGPIBGGRCVEHQZ-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: bittnl

nafcilline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 147-52-4
cas number: 985-16-0
formula: C21H21N2NaO5S
inchi: InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1
iupac name: sodium (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate @en
pubchem: 64712
inchikey: AYAPZOUDXCDGIF-FRFVDRIFSA-M
broader: CHEMONTID_0001189
in scheme: Conceptschema Chemische Stoffen
notation: nafclne

methylkwikbenzoaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3626-13-9
formula: C8H8HgO2
inchi: InChI=1S/C7H6O2.CH3.Hg/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;;+1/p-1
iupac name: benzoyloxy-methylmercury @en
pubchem: 16683944
smiles: C[Hg]OC(=O)C1=CC=CC=C1
inchikey: WKDZZKIPDBZSRW-UHFFFAOYSA-M
broader: CHEMONTID_0002565
in scheme: Conceptschema Chemische Stoffen
notation: C1yHgbzat

metconazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 125116-23-6
formula: C17H22ClN3O
inchi: InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
iupac name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol @en
pubchem: 86210
inchikey: XWPZUHJBOLQNMN-UHFFFAOYSA-N
broader: CHEMONTID_0001565
in scheme: Conceptschema Chemische Stoffen
notation: metcnzl

n,n'-bis(1,1-dimethylethyl)ureum
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5336-24-3
formula: C9H20N2O
inchi: InChI=1S/C9H20N2O/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)
iupac name: 1,3-ditert-butylurea @en
pubchem: 21420
smiles: CC(C)(C)NC(=O)NC(C)(C)C
inchikey: WSABLXKFAPKFSO-UHFFFAOYSA-N
alternative label: N,N'-bis(1,1-dimethylethyl)ureum
broader: CHEMONTID_0000517
in scheme: Conceptschema Chemische Stoffen
notation: NNb11DC1yC2y

triazichon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8059-32-3
cas number: 68-76-8
formula: C12H13N3O2
inchi: InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2
iupac name: 2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione @en
pubchem: 6235
smiles: C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4
inchikey: PXSOHRWMIRDKMP-UHFFFAOYSA-N
broader: CHEMONTID_0002494
in scheme: Conceptschema Chemische Stoffen
notation: Tazcn

2,5-dichloor-4-nitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6627-34-5
formula: C6H4Cl2N2O2
inchi: InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2
iupac name: 2,5-Dichloro-4-nitroaniline @en
pubchem: 23108
smiles: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])Cl)N
inchikey: JBXZCPXEYAEMJS-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 25DCl4NO2An

2,2',3,4',5,5',6-heptachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52663-68-0
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-11(18)8(16)3-9(17)12(10)19/h1-3H
iupac name: 1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenyl)benzene @en
pubchem: 40475
inchikey: UDMZPLROONOSEF-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB187

mecoprop-P
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 16484-77-8
formula: C10H11ClO3
inchi: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1
iupac name: (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid @en
pubchem: 185588
smiles: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O
inchikey: WNTGYJSOUMFZEP-SSDOTTSWSA-N
alternative label: mecoprop-p
broader: CHEMONTID_0004676
in scheme: Conceptschema Chemische Stoffen
notation: mecppP

1,2,3,7,8-pentachloordibenzodioxine (pecdd)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 40321-76-4
formula: C12H3Cl5O2
inchi: InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H
iupac name: 1,2,3,7,8-pentachlorooxanthrene @en
pubchem: 38439
inchikey: FSPZPQQWDODWAU-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,7,8-pentachloordibenzodioxine
alternative label: 1,2,3,7,8-pentachloordibenzo-p-dioxine
alternative label: 1,2,3,7,8-pentachloordibenzo-para-dioxine
broader: CHEMONTID_0000420
in scheme: Conceptschema Chemische Stoffen
notation: PCDD54

1,6-dimethylnaftaleen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 575-43-9
formula: C12H12
inchi: InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3
iupac name: 1,6-Dimethylnaphthalene @en
pubchem: 11328
smiles: CC1=CC2=CC=CC(=C2C=C1)C
inchikey: CBMXCNPQDUJNHT-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 16DC1yNaf

sulfaquinoxaline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 8027-68-7
cas number: 59-40-5
formula: C14H12N4O2S
inchi: InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)
iupac name: 4-amino-N-quinoxalin-2-ylbenzenesulfonamide @en
pubchem: 5338
inchikey: NHZLNPMOSADWGC-UHFFFAOYSA-N
broader: CHEMONTID_0000486
in scheme: Conceptschema Chemische Stoffen
notation: sulfqoxlne

p-chlooraniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 106-47-8
formula: C6H6ClN
inchi: InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
iupac name: 4-Chloroaniline @en
pubchem: 7812
smiles: C1=CC(=CC=C1N)Cl
inchikey: QSNSCYSYFYORTR-UHFFFAOYSA-N
alternative label: 4-chlooraniline
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 4ClAn

cesium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 24347-12-4
cas number: 7440-46-2
formula: Cs
inchi: InChI=1S/Cs
iupac name: CESIUM @en
pubchem: 5354618
smiles: [Cs]
inchikey: TVFDJXOCXUVLDH-UHFFFAOYSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Cs

flufenoxuron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 101463-69-8
formula: C21H11ClF6N2O3
iupac name: N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide @en
pubchem: 91766
inchikey: RYLHNOVXKPXDIP-UHFFFAOYSA-N
broader: CHEMONTID_0004513
in scheme: Conceptschema Chemische Stoffen
notation: flufnxrn

4-nitrodifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 92-93-3
cas number: 28984-85-2
formula: C12H9NO2
inchi: InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
iupac name: 1-Nitro-4-phenylbenzene @en
pubchem: 7114
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
inchikey: BAJQRLZAPXASRD-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: 4NO2DFy

musk-xyleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 81-15-2
formula: C12H15N3O6
inchi: InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
iupac name: 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene @en
pubchem: 62329
smiles: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
inchikey: XMWRWTSZNLOZFN-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: muskxln

pendimethalin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 64667-17-0
cas number: 39336-60-2
cas number: 155421-40-2
cas number: 64719-41-1
cas number: 40487-42-1
formula: C13H19N3O4
inchi: InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
iupac name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline @en
pubchem: 38479
smiles: CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
inchikey: CHIFOSRWCNZCFN-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: pendmtln

n,n'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55525-54-7
formula: C23H38N4O3
inchi: InChI=1S/C23H38N4O3/c1-20(2)7-17(26-15-28)9-22(5,11-20)13-24-19(30)25-14-23(6)10-18(27-16-29)8-21(3,4)12-23/h17-18H,7-14H2,1-6H3,(H2,24,25,30)
iupac name: 1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea @en
pubchem: 108344
inchikey: SLSSBKMDWYZIRQ-UHFFFAOYSA-N
alternative label: N,N'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum
broader: CHEMONTID_0000517
in scheme: Conceptschema Chemische Stoffen
notation: NNb5iCN133TC

narasine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 55134-13-9
formula: C43H72O11
inchi: InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1
iupac name: (2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid @en
pubchem: 65452
inchikey: VHKXXVVRRDYCIK-CWCPJSEDSA-N
broader: CHEMONTID_0001755
in scheme: Conceptschema Chemische Stoffen
notation: narsne

trans-fosfamidon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13170-92-8
cas number: 297-99-4
formula: C10H19ClNO5P
inchi: InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8+
iupac name: [(E)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate @en
pubchem: 3033834
smiles: CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl
inchikey: RGCLLPNLLBQHPF-CMDGGOBGSA-N
broader: CHEMONTID_0003459
in scheme: Conceptschema Chemische Stoffen
notation: tfosfmdn

etonogestrel
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 165050-21-5
cas number: 54048-10-1
formula: C22H28O2
inchi: InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17?,18?,19?,20?,21?,22-/m0/s1
iupac name: (17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one @en
pubchem: 40976
smiles: CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
inchikey: GCKFUYQCUCGESZ-KIIRVTSASA-N
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
notation: etngtl

monomethylarseenzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 124-58-3
cas number: 35745-11-0
cas number: 4950-59-8
formula: CH5AsO3
inchi: InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)
iupac name: Methylarsonic acid @en
pubchem: 8948
smiles: C[As](=O)(O)O
inchikey: QYPPRTNMGCREIM-UHFFFAOYSA-N
alternative label: monomethyl arseenzuur
broader: CHEMONTID_0004239
in scheme: Conceptschema Chemische Stoffen
notation: MC1yAszr

4-(1,1-dimethylethyl)-2-methyl-fenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 98-27-1
formula: C11H16O
inchi: InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3
iupac name: 4-tert-Butyl-2-methylphenol @en
pubchem: 7379
smiles: CC1=C(C=CC(=C1)C(C)(C)C)O
inchikey: SNKLPZOJLXDZCW-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 411DC1yC2y2C

campesterol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 474-62-4
formula: C28H48O
inchi: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3
iupac name: 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
pubchem: 312822
inchikey: SGNBVLSWZMBQTH-UHFFFAOYSA-N
broader: CHEMONTID_0001403
in scheme: Conceptschema Chemische Stoffen
notation: campEsrol

simvastatine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 79902-63-9
formula: C25H38O5
inchi: InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
iupac name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate @en
pubchem: 54454
inchikey: RYMZZMVNJRMUDD-HGQWONQESA-N
broader: CHEMONTID_0001244
in scheme: Conceptschema Chemische Stoffen
notation: simvstne

quizalofop
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 76578-12-6
cas number: 95977-28-9
formula: C17H13ClN2O4
inchi: InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)
iupac name: 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid @en
pubchem: 178795
inchikey: ABOOPXYCKNFDNJ-UHFFFAOYSA-N
broader: CHEMONTID_0004674
in scheme: Conceptschema Chemische Stoffen
notation: quizlfp

deoxycorticosteron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 64-85-7
formula: C21H30O3
inchi: InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
iupac name: (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 6166
inchikey: ZESRJSPZRDMNHY-YFWFAHHUSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: dOxctctrn

3-ethyl-4-methylpyrrol-2,5-dion
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 20189-42-8
formula: C7H9NO2
inchi: InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)
iupac name: 3-ethyl-4-methylpyrrole-2,5-dione @en
pubchem: 29995
smiles: CCC1=C(C(=O)NC1=O)C
inchikey: CUBICSJJYOPOIA-UHFFFAOYSA-N
broader: CHEMONTID_0003203
in scheme: Conceptschema Chemische Stoffen
notation: 3C2y4C1yprl2

camphorsulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3144-16-9
formula: C10H15O4S-
inchi: InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1/t7-,10-/m0/s1
iupac name: [(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate @en
pubchem: 6992131
smiles: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C
inchikey: MIOPJNTWMNEORI-XVKPBYJWSA-M
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
notation: campsfzr

musk keton
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 81-14-1
formula: C14H18N2O5
inchi: InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
iupac name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone @en
pubchem: 6669
smiles: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
inchikey: WXCMHFPAUCOJIG-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: muskketn

goud 198
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 10043-49-9
formula: Au
inchi: InChI=1S/Au/i1+1
iupac name: gold-198 @en
pubchem: 66274
smiles: [Au]
inchikey: PCHJSUWPFVWCPO-OUBTZVSYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Au198

Conceptschema Chemische Stoffen
type: ConceptScheme
belongs to: codelijst-chemische stof
definition: Een stof is in de scheikunde een vorm van materie die een gelijke chemische samenstelling heeft, een chemisch zuivere stof. Deze wordt gekenmerkt door specifieke, uniforme stofeigenschappen, zoals dichtheid, geleidbaarheid en smeltpunt.

nitrofen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 51274-07-8
cas number: 1836-75-5
formula: C12H7Cl2NO3
inchi: InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
iupac name: 2,4-Dichloro-1-(4-nitrophenoxy)benzene @en
pubchem: 15787
smiles: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
inchikey: XITQUSLLOSKDTB-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: NO2fn

distikstof
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7727-37-9
cas number: 161728-27-4
cas number: 93037-13-9
cas number: 156457-45-3
formula: N2
inchi: InChI=1S/N2/c1-2
iupac name: molecular nitrogen @en
pubchem: 947
smiles: N#N
inchikey: IJGRMHOSHXDMSA-UHFFFAOYSA-N
broader: CHEMONTID_0000553
in scheme: Conceptschema Chemische Stoffen
notation: N2

2,4,6-trimethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 88-05-1
cas number: 6334-11-8
formula: C9H14ClN
inchi: InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H
iupac name: (2,4,6-trimethylphenyl)azanium chloride @en
pubchem: 22796
smiles: CC1=CC(=C(C(=C1)C)[NH3+])C.[Cl-]
inchikey: WUYJXWRFOUCHEB-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 246TC1yAn

3,5-dichloornitrobenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 618-62-2
cas number: 33150-95-7
formula: C6H3Cl2NO2
inchi: InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
iupac name: 1,3-Dichloro-5-nitrobenzene @en
pubchem: 12064
smiles: C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]
inchikey: RNABGKOKSBUFHW-UHFFFAOYSA-N
alternative label: 1,3-dichloor-5-nitrobenzeen
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 13DCl5NO2Ben

1,1,2,2-tetrachloor-1,2-difluorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 76-12-0
formula: C2Cl4F2
inchi: InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8
iupac name: 1,1,2,2-Tetrachloro-1,2-difluoroethane @en
pubchem: 6427
smiles: C(C(F)(Cl)Cl)(F)(Cl)Cl
inchikey: UGCSPKPEHQEOSR-UHFFFAOYSA-N
broader: CHEMONTID_0004521
in scheme: Conceptschema Chemische Stoffen
notation: CFK112

tetraethyllood
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 78-00-2
formula: C8H20Pb
inchi: InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;
iupac name: Tetraethylplumbane @en
pubchem: 6511
smiles: CC[Pb](CC)(CC)CC
inchikey: MRMOZBOQVYRSEM-UHFFFAOYSA-N
broader: CHEMONTID_0004289
in scheme: Conceptschema Chemische Stoffen
notation: T4C2yPb

oseltamivir
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 196618-13-0
formula: C16H28N2O4
inchi: InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
iupac name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate @en
pubchem: 65028
smiles: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC
inchikey: VSZGPKBBMSAYNT-RRFJBIMHSA-N
broader: CHEMONTID_0001880
in scheme: Conceptschema Chemische Stoffen
notation: ostmvr

1,3,5-triallylisocyanuraat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 109521-50-8
cas number: 196519-94-5
cas number: 123339-46-8
cas number: 1025-15-6
formula: C12H15N3O3
inchi: InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
iupac name: 1,3,5-tri(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione @en
pubchem: 13931
smiles: C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
inchikey: KOMNUTZXSVSERR-UHFFFAOYSA-N
broader: CHEMONTID_0001920
in scheme: Conceptschema Chemische Stoffen
notation: 135Talicaurt

thiosemicarbazide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 79-19-6
formula: CH5N3S
inchi: InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
iupac name: aminothiourea @en
pubchem: 6583
smiles: C(=NN)(N)S
inchikey: BRWIZMBXBAOCCF-UHFFFAOYSA-N
broader: CHEMONTID_0001207
in scheme: Conceptschema Chemische Stoffen
notation: tosmcbzde

3-nitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 99-08-1
formula: C7H7NO2
inchi: InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
iupac name: 1-Methyl-3-nitrobenzene @en
pubchem: 7422
smiles: CC1=CC(=CC=C1)[N+](=O)[O-]
inchikey: QZYHIOPPLUPUJF-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 3NO2Tol

1,6-naftaleendisulfonzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 525-37-1
formula: C10H8O6S2
inchi: InChI=1S/C10H8O6S2/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
iupac name: NAPHTHALENE-1,6-DISULFONIC ACID @en
pubchem: 10676
inchikey: HEWDOWUUTBCVJP-UHFFFAOYSA-N
broader: CHEMONTID_0003601
in scheme: Conceptschema Chemische Stoffen
notation: 16NafDsfzr

2,2-dichloordiethylether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 92091-28-6
cas number: 111-44-4
formula: C4H8Cl2O
inchi: InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
iupac name: 1-chloro-2-(2-chloroethoxy)ethane @en
pubchem: 8115
smiles: C(CCl)OCCCl
inchikey: ZNSMNVMLTJELDZ-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 22DClDC2yEtr

(3-chloor-4-methylfenyl)urea
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13142-64-8
formula: C8H9ClN2O
inchi: InChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
iupac name: (3-CHLORO-4-METHYLPHENYL)UREA @en
pubchem: 25741
smiles: CC1=C(C=C(C=C1)NC(=O)N)Cl
inchikey: GAFWRUXZGSUTHS-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: 3Cl4C1yFyura

alfa,alfa'-dihydroxy-1,3-diisopropylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1999-85-5
formula: C12H18O2
inchi: InChI=1S/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3
iupac name: 2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol @en
pubchem: 74816
smiles: CC(C)(C1=CC(=CC=C1)C(C)(C)O)O
inchikey: UGPWRRVOLLMHSC-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: aaDHOxDiC3yB

2-methylnonaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 34464-38-5
cas number: 68551-17-7
cas number: 63335-88-6
cas number: 68551-16-6
cas number: 871-83-0
formula: C10H22
inchi: InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3
iupac name: 2-Methylnonane @en
pubchem: 13379
smiles: CCCCCCCC(C)C
inchikey: SGVYKUFIHHTIFL-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC9a

molybdeen 99
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14119-15-4
formula: Mo
inchi: InChI=1S/Mo/i1+3
iupac name: molybdenum-99 @en
pubchem: 104976
smiles: [Mo]
inchikey: ZOKXTWBITQBERF-AKLPVKDBSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Mo99

1-methoxy-4-(1-propenyl)benzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 57131-42-7
cas number: 109957-71-3
cas number: 4180-23-8
cas number: 8022-08-0
cas number: 50770-19-9
cas number: 104-46-1
cas number: 12002-40-3
formula: C10H12O
inchi: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
iupac name: ['1-methoxy-4-[(E)-prop-1-enyl]benzene', '1-methoxy-4-prop-1-enylbenzene'] @en
pubchem: 637563
smiles: CC=CC1=CC=C(C=C1)OC
inchikey: RUVINXPYWBROJD-ONEGZZNKSA-N
broader: CHEMONTID_0000138
in scheme: Conceptschema Chemische Stoffen
notation: 1C1ox41C3yeb

lidocaine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 8059-42-5
cas number: 91484-71-8
cas number: 137-58-6
cas number: 8059-66-3
formula: C14H22N2O
inchi: InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
iupac name: 2-diethylamino-N-(2,6-dimethylphenyl)acetamide @en
pubchem: 3676
smiles: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C
inchikey: NNJVILVZKWQKPM-UHFFFAOYSA-N
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: lidcine

spiramycine III
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1405-27-2
cas number: 24916-52-7
cas number: 33299-71-7
cas number: 11001-07-3
cas number: 13429-99-7
cas number: 13441-33-3
cas number: 1403-59-4
cas number: 13445-44-8
cas number: 23410-82-4
cas number: 203005-19-0
formula: C46H78N2O15
inchi: InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28+,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1
iupac name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate @en
pubchem: 6440708
inchikey: HSZLKTCKAYXVBX-DCAGQSADSA-N
alternative label: spiramycine iii
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: spirmcIII

dichloorvos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 55819-32-4
cas number: 116788-91-1
cas number: 62139-95-1
cas number: 8076-16-2
cas number: 62655-59-8
cas number: 12772-40-6
cas number: 95828-55-0
cas number: 11095-17-3
cas number: 11126-72-0
cas number: 8072-21-7
cas number: 8023-22-1
cas number: 62-73-7
cas number: 11096-21-2
cas number: 11111-31-2
cas number: 8072-39-7
formula: C4H7Cl2O4P
inchi: InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
iupac name: ['2,2-Dichloroethenyl dimethyl phosphate', '2,2-dichloroethenoxy-hydroxy-dimethoxyphosphanium'] @en
pubchem: 3039
smiles: COP(=O)(OC)OC=C(Cl)Cl
inchikey: OEBRKCOSUFCWJD-UHFFFAOYSA-N
broader: CHEMONTID_0003459
in scheme: Conceptschema Chemische Stoffen
notation: DClvs

barium 133
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13981-41-4
formula: Ba
inchi: InChI=1S/Ba/i1-4
iupac name: barium-133 @en
pubchem: 5491664
smiles: [Ba]
inchikey: DSAJWYNOEDNPEQ-AHCXROLUSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Ba133

indol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 120-72-9
formula: C8H7N
inchi: InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
iupac name: 1H-Indole @en
pubchem: 798
smiles: C1=CC=C2C(=C1)C=CN2
inchikey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
broader: CHEMONTID_0002497
in scheme: Conceptschema Chemische Stoffen
notation: indl

4-hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 38274-01-0
formula: C13H20O3
inchi: InChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,10,15H,7-8H2,1-4H3/b6-5+
iupac name: (E)-4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one @en
pubchem: 5371267
smiles: CC(=O)C=CC12C(CC(CC1(O2)C)O)(C)C
inchikey: VYKLRWGPNUVKNC-AATRIKPKSA-N
broader: CHEMONTID_0001729
in scheme: Conceptschema Chemische Stoffen
notation: 4HOx12DHbjnn

malaoxon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1634-78-2
formula: C10H19O7PS
inchi: InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3
iupac name: ['(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxy-dimethoxyphosphanium', 'diethyl 2-dimethoxyphosphorylsulfanylbutanedioate'] @en
pubchem: 15415
smiles: CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC
inchikey: WSORODGWGUUOBO-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: malOon

bromophos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2104-96-3
cas number: 12778-42-6
cas number: 12778-41-5
formula: C8H8BrCl2O3PS
iupac name: (4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidenephosphorane @en
pubchem: 16422
smiles: COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl
inchikey: NYQDCVLCJXRDSK-UHFFFAOYSA-N
alternative label: bromofos-methyl
alternative label: methylbromofos
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: C1yBrfs

chloorpicrine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 76-06-2
formula: CCl3NO2
inchi: InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
iupac name: trichloro-nitromethane @en
pubchem: 6423
smiles: C([N+](=O)[O-])(Cl)(Cl)Cl
inchikey: LFHISGNCFUNFFM-UHFFFAOYSA-N
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: Clpcne

succimer
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 304-55-2
cas number: 2418-14-6
formula: C4H6O4S2
inchi: InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)
iupac name: 2,3-bis-sulfanylbutanedioic acid @en
pubchem: 9354
smiles: C(C(C(=O)O)S)(C(=O)O)S
inchikey: ACTRVOBWPAIOHC-UHFFFAOYSA-N
broader: CHEMONTID_0001423
in scheme: Conceptschema Chemische Stoffen
notation: succmr

fosetyl-aluminium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 39148-24-8
formula: C6H15AlO9P3+3
inchi: InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3
iupac name: aluminum ethoxy-oxido-oxophosphanium @en
pubchem: 6328269
smiles: CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3]
inchikey: OIPMQULDKWSNGX-UHFFFAOYSA-N
broader: CHEMONTID_0000323
in scheme: Conceptschema Chemische Stoffen
notation: fosC2yAl

benzo(g,h,i)pery-leen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 191-24-2
formula: C22H12
inchi: InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
iupac name: hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene @en
pubchem: 9117
inchikey: GYFAGKUZYNFMBN-UHFFFAOYSA-N
is referenced by: LUC VI 001
alternative label: benzo(g,h,i)peryleen (b)
alternative label: benzo(ghi)peryleen
alternative label: benzo(g,h,i)peryleen
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
notation: BghiPe

2,4,6-tribroomfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 118-79-6
formula: C6H3Br3O
inchi: InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
iupac name: 2,4,6-Tribromophenol @en
pubchem: 1483
smiles: C1=C(C=C(C(=C1Br)O)Br)Br
inchikey: BSWWXRFVMJHFBN-UHFFFAOYSA-N
broader: CHEMONTID_0002769
in scheme: Conceptschema Chemische Stoffen
notation: 246TBrFol

mefluidide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53780-34-0
cas number: 55584-91-3
cas number: 55599-99-0
formula: C11H13F3N2O3S
pubchem: 40896
inchikey: OKIBNKKYNPBDRS-UHFFFAOYSA-N
broader: CHEMONTID_0000038
in scheme: Conceptschema Chemische Stoffen
notation: mefidde

spiramycine ii
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 23684-35-7
cas number: 1405-26-1
cas number: 23684-34-6
cas number: 18810-02-1
cas number: 1403-58-3
cas number: 24916-51-6
formula: C45H76N2O15
inchi: InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27+,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
iupac name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate @en
pubchem: 5282173
inchikey: ZPCCSZFPOXBNDL-RSMXASMKSA-N
alternative label: spiramycine II
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: spirmcII

bupirimaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 58694-46-5
cas number: 41483-43-6
formula: C13H24N4O3S
inchi: InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)
iupac name: (5-butyl-2-ethylamino-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate @en
pubchem: 38884
smiles: CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C
inchikey: DSKJPMWIHSOYEA-UHFFFAOYSA-N
broader: CHEMONTID_0001262
in scheme: Conceptschema Chemische Stoffen
notation: buprmt

1,2-dichloor-1,2-difluorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 431-06-1
formula: C2H2Cl2F2
inchi: InChI=1S/C2H2Cl2F2/c3-1(5)2(4)6/h1-2H
iupac name: 1,2-Dichloro-1,2-difluoroethane @en
pubchem: 33241
smiles: C(C(F)Cl)(F)Cl
inchikey: IDSKMUOSMAUASS-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK132

tetramethyl-1,4-benzeendiamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 27215-51-6
cas number: 100-22-1
formula: C10H16N2
inchi: InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3
iupac name: N,N,N',N'-tetramethylbenzene-1,4-diamine @en
pubchem: 7490
smiles: CN(C)C1=CC=C(C=C1)N(C)C
inchikey: CJAOGUFAAWZWNI-UHFFFAOYSA-N
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: TMPD

1-(3-chloorallyl)-3,5,7-triaza-1-azoniaadamantaanchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 60789-82-4
cas number: 4080-31-3
cas number: 103638-29-5
formula: C9H16Cl2N4
inchi: InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1+;
iupac name: 1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride @en
pubchem: 6433396
smiles: C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-]
inchikey: UKHVLWKBNNSRRR-TYYBGVCCSA-M
broader: CHEMONTID_0002798
in scheme: Conceptschema Chemische Stoffen
notation: 13Clal357Taz

thiocyanaten
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 37223-05-5
cas number: 60168-45-8
cas number: 1111-68-8
cas number: 60773-55-9
cas number: 71048-69-6
cas number: 302-04-5
cas number: 70874-95-2
cas number: 81210-01-7
cas number: 62476-95-3
cas number: 69924-38-5
formula: CNS-
inchi: InChI=1S/CHNS/c2-1-3/h3H/p-1
iupac name: thiocyanate @en
pubchem: 9322
smiles: C(#N)[S-]
inchikey: ZMZDMBWJUHKJPS-UHFFFAOYSA-M
broader: CHEMONTID_0001201
in scheme: Conceptschema Chemische Stoffen

2,6-di-tert-butyl-4-ethylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 4130-92-1
cas number: 4130-42-1
formula: C16H26O
inchi: InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3
iupac name: 2,6-ditert-butyl-4-ethylphenol @en
pubchem: 20087
smiles: CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
inchikey: BVUXDWXKPROUDO-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 26DttC4y4C2y

hexakis(methoxymethyl)melamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 11098-24-1
cas number: 66565-50-2
cas number: 174805-33-5
cas number: 3089-11-0
cas number: 37331-82-1
formula: C15H30N6O6
inchi: InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3
iupac name: N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine @en
pubchem: 62479
inchikey: BNCADMBVWNPPIZ-UHFFFAOYSA-N
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: HxkC1oxC1yml

isopropylcyclohexaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 696-29-7
formula: C9H18
inchi: InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
iupac name: propan-2-ylcyclohexane @en
pubchem: 12763
smiles: CC(C)C1CCCCC1
inchikey: GWESVXSMPKAFAS-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: iC3yccC6a

naftaleen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 72931-45-4
cas number: 68412-25-9
cas number: 91-20-3
formula: C10H8
inchi: InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
iupac name: NAPHTHALENE @en
pubchem: 931
smiles: C1=CC=C2C=CC=CC2=C1
inchikey: UFWIBTONFRDIAS-UHFFFAOYSA-N
is referenced by: LUC VI 001
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: Naf

heptaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
cas number: 8031-33-2
cas number: 142-82-5
cas number: 44607-13-8
formula: C7H16
inchi: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
iupac name: HEPTANE @en
pubchem: 8900
smiles: CCCCCCC
inchikey: IMNFDUFMRHMDMM-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 006
is referenced by: WAC IV A 016
alternative label: n-heptaan
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C7a

fluoreen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 86-73-7
cas number: 84987-80-4
cas number: 2299-68-5
formula: C13H10
inchi: InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
iupac name: 9H-Fluorene @en
pubchem: 6853
smiles: C1C2=CC=CC=C2C3=CC=CC=C31
inchikey: NIHNNTQXNPWCJQ-UHFFFAOYSA-N
is referenced by: LUC VI 001
broader: CHEMONTID_0000020
in scheme: Conceptschema Chemische Stoffen
notation: Fle

2-chloor-4,6-diamino-1,3,5-triazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3397-62-4
formula: C3H4ClN5
inchi: InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
iupac name: 6-Chloro-1,3,5-triazine-2,4-diamine @en
pubchem: 18831
smiles: C1(=NC(=NC(=N1)Cl)N)N
inchikey: FVFVNNKYKYZTJU-UHFFFAOYSA-N
broader: CHEMONTID_0004721
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl46Daotazn

benfuracarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 88650-68-4
cas number: 82560-54-1
formula: C20H30N2O5S
inchi: InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3
iupac name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate @en
pubchem: 54886
inchikey: FYZBOYWSHKHDMT-UHFFFAOYSA-N
broader: CHEMONTID_0004189
in scheme: Conceptschema Chemische Stoffen
notation: benfrcb

crimidine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 535-89-7
formula: C7H10ClN3
inchi: InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3
iupac name: 2-chloro-N,N,6-trimethylpyrimidin-4-amine @en
pubchem: 10813
smiles: CC1=CC(=NC(=N1)Cl)N(C)C
inchikey: HJIUPFPIEBPYIE-UHFFFAOYSA-N
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: crimdne

triethyleentetramine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 110670-33-2
cas number: 71124-11-3
cas number: 14175-14-5
cas number: 112-24-3
cas number: 105093-20-7
cas number: 39421-77-7
formula: C6H18N4
inchi: InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
iupac name: N,N'-bis(2-aminoethyl)ethane-1,2-diamine @en
pubchem: 5565
smiles: C(CNCCNCCN)N
inchikey: VILCJCGEZXAXTO-UHFFFAOYSA-N
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: TC2yeT4Ae

diethylftalaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 84-66-2
cas number: 68988-18-1
formula: C12H14O4
inchi: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
iupac name: diethyl benzene-1,2-dicarboxylate @en
pubchem: 6781
smiles: CCOC(=O)C1=CC=CC=C1C(=O)OCC
inchikey: FLKPEMZONWLCSK-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC2yFt

4-chloorfenoxyazijnzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 122-88-3
formula: C8H7ClO3
inchi: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
iupac name: 2-(4-chlorophenoxy)acetic acid @en
pubchem: 26229
smiles: C1=CC(=CC=C1OCC(=O)O)Cl
inchikey: SODPIMGUZLOIPE-UHFFFAOYSA-N
broader: CHEMONTID_0004525
in scheme: Conceptschema Chemische Stoffen
notation: 4CPA

trifenylfosfine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 112771-47-8
cas number: 603-35-0
formula: C18H15P
inchi: InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
iupac name: tri(phenyl)phosphane @en
pubchem: 11776
smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
inchikey: RIOQSEWOXXDEQQ-UHFFFAOYSA-N
broader: CHEMONTID_0001814
in scheme: Conceptschema Chemische Stoffen
notation: Tfyffne

1,8-diazacyclotetradecaan-2,9-dion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 56403-09-9
formula: C12H22N2O2
inchi: InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
iupac name: 1,8-Diazacyclotetradecane-2,9-dione @en
pubchem: 16
smiles: C1CCC(=O)NCCCCCC(=O)NCC1
inchikey: HERSSAVMHCMYSQ-UHFFFAOYSA-N
broader: CHEMONTID_0000064
in scheme: Conceptschema Chemische Stoffen
notation: 18DazccC14a2

carvon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 99-49-0
cas number: 22327-39-5
formula: C10H14O
inchi: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
iupac name: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one @en
pubchem: 7439
smiles: CC1=CCC(CC1=O)C(=C)C
inchikey: ULDHMXUKGWMISQ-UHFFFAOYSA-N
broader: CHEMONTID_0001401
in scheme: Conceptschema Chemische Stoffen
notation: carvn

n,n-dibutylformamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 761-65-9
formula: C9H19NO
inchi: InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
iupac name: N,N-DIBUTYLFORMAMIDE @en
pubchem: 12975
smiles: CCCCN(CCCC)C=O
inchikey: NZMAJUHVSZBJHL-UHFFFAOYSA-N
alternative label: N,N-dibutylformamide
broader: CHEMONTID_0001664
in scheme: Conceptschema Chemische Stoffen
notation: NNDC4yfAd

2,5-dimethyl-1,4-dioxaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1331-15-3
cas number: 25136-55-4
cas number: 15176-21-3
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3
iupac name: 2,5-dimethyl-1,4-dioxane @en
pubchem: 32803
smiles: CC1COC(CO1)C
inchikey: AWBIJARKDOFDAN-UHFFFAOYSA-N
broader: CHEMONTID_0001313
in scheme: Conceptschema Chemische Stoffen
notation: 25DC1y14DOxa

mebendazol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 31431-39-7
formula: C16H13N3O3
inchi: InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
iupac name: methyl N-[6-(benzoyl)-1H-benzimidazol-2-yl]carbamate @en
pubchem: 4030
inchikey: OPXLLQIJSORQAM-UHFFFAOYSA-N
broader: CHEMONTID_0000120
in scheme: Conceptschema Chemische Stoffen
notation: mebdzl

1-(4-chloorfenyl)ureum
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1967-26-6
cas number: 140-38-5
formula: C7H7ClN2O
inchi: InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
iupac name: (4-CHLOROPHENYL)UREA @en
pubchem: 8796
smiles: C1=CC(=CC=C1NC(=O)N)Cl
inchikey: RECCURWJDVZHIH-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: 14ClFyurum

beta-copaene
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 18252-44-3
formula: C15H24
inchi: InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14+,15+/m0/s1
iupac name: (1R,2S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane @en
pubchem: 87529
smiles: CC(C)C1CCC2(C3C1C2C(=C)CC3)C
inchikey: UPVZPMJSRSWJHQ-HTXSYXIBSA-N
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: bcpene

trihexyfenidyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 144-11-6
formula: C20H31NO
inchi: InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
iupac name: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol @en
pubchem: 5572
smiles: C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O
inchikey: HWHLPVGTWGOCJO-UHFFFAOYSA-N
broader: CHEMONTID_0003899
in scheme: Conceptschema Chemische Stoffen
notation: Thxfidl

europium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 110123-53-0
cas number: 7440-53-1
formula: Eu
inchi: InChI=1S/Eu
iupac name: EUROPIUM @en
pubchem: 23981
smiles: [Eu]
inchikey: OGPBJKLSAFTDLK-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Eu

1,4-diaminobenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 106-50-3
cas number: 56481-76-6
formula: C6H8N2
inchi: InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
iupac name: benzene-1,4-diamine @en
pubchem: 7814
smiles: C1=CC(=CC=C1N)N
inchikey: CBCKQZAAMUWICA-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 14DAoBen

aldrin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 309-00-2
formula: C12H8Cl6
inchi: InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2
iupac name: 1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene @en
pubchem: 2087
inchikey: QBYJBZPUGVGKQQ-UHFFFAOYSA-N
is referenced by: WAC IV B 010
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: aldn

methylcyclopenteen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 27476-50-2
cas number: 693-89-0
formula: C6H10
inchi: InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
iupac name: 1-Methylcyclopentene @en
pubchem: 12746
smiles: CC1=CCCC1
inchikey: ATQUFXWBVZUTKO-UHFFFAOYSA-N
broader: CHEMONTID_0004622
in scheme: Conceptschema Chemische Stoffen
notation: C1yccC5e

2,2',4,5'-tetrachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 110866-20-1
cas number: 41464-40-8
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H
iupac name: 2,4-dichloro-1-(2,5-dichlorophenyl)benzene @en
pubchem: 38876
smiles: C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2)Cl)Cl
inchikey: ZWPVHELAQPIZHO-UHFFFAOYSA-N
alternative label: 2,2',4,5'-tetrachloorbifenyl (pcb49)
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB49

terbutaline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 46719-29-3
cas number: 23031-25-6
formula: C12H19NO3
inchi: InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
iupac name: 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol @en
pubchem: 5403
smiles: CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O
inchikey: XWTYSIMOBUGWOL-UHFFFAOYSA-N
broader: CHEMONTID_0000137
in scheme: Conceptschema Chemische Stoffen
notation: terbtlne

methaanthiol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 17719-48-1
cas number: 74-93-1
cas number: 63933-47-1
formula: CH4S
inchi: InChI=1S/CH4S/c1-2/h2H,1H3
iupac name: METHANETHIOL @en
pubchem: 878
smiles: CS
inchikey: LSDPWZHWYPCBBB-UHFFFAOYSA-N
broader: CHEMONTID_0001212
in scheme: Conceptschema Chemische Stoffen
notation: C1atol

pencycuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 66063-05-6
formula: C19H21ClN2O
inchi: InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
iupac name: 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea @en
pubchem: 91692
inchikey: OGYFATSSENRIKG-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: penccrn

a-fenylethylamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 618-36-0
cas number: 98-84-0
cas number: 3886-69-9
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
iupac name: 1-Phenylethanamine @en
pubchem: 7408
smiles: CC(C1=CC=CC=C1)N
inchikey: RQEUFEKYXDPUSK-UHFFFAOYSA-N
broader: CHEMONTID_0003899
in scheme: Conceptschema Chemische Stoffen
notation: 1FyC2yAe

perfluor-n-decaanzuur (pfda)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 335-76-2
formula: C10HF19O2
inchi: InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid @en
pubchem: 9555
inchikey: PCIUEQPBYFRTEM-UHFFFAOYSA-N
alternative label: perfluordecaanzuur (pfda)
alternative label: perfluordecaanzuur
alternative label: perfluor-n-decaanzuur
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFDA

folpet
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52306-33-9
cas number: 133-07-3
formula: C9H4Cl3NO2S
inchi: InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
iupac name: 2-(trichloromethylsulfanyl)isoindole-1,3-dione @en
pubchem: 8607
smiles: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl
inchikey: HKIOYBQGHSTUDB-UHFFFAOYSA-N
broader: CHEMONTID_0004749
in scheme: Conceptschema Chemische Stoffen
notation: folpt

tributylacetylcitraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 37070-91-0
cas number: 77-90-7
formula: C20H34O8
inchi: InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
iupac name: 1,2,3-tributyl 2-acetyloxypropane-1,2,3-tricarboxylate @en
pubchem: 6505
inchikey: QZCLKYGREBVARF-UHFFFAOYSA-N
broader: CHEMONTID_0002966
in scheme: Conceptschema Chemische Stoffen
notation: TC4yactcitt

2,2',3,4,4',5'-hexachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 35065-28-2
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H
iupac name: 1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene @en
pubchem: 37035
inchikey: RPUMZMSNLZHIGZ-UHFFFAOYSA-N
is referenced by: CMA 3 I
is referenced by: LUC VI 002
alternative label: pcb 138
alternative label: pcb-138
alternative label: 2,2',3,4,4',5'-hexachloorbifenyl (pcb138)
alternative label: PCB-138
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB138

2-propyl-1-heptanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10042-59-8
formula: C10H22O
inchi: InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3
iupac name: 2-Propylheptan-1-ol @en
pubchem: 24847
smiles: CCCCCC(CCC)CO
inchikey: YLQLIQIAXYRMDL-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 2C3y1C7ol

1-fenyl-2-ethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 60-12-8
cas number: 1321-27-3
formula: C8H10O
inchi: InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
iupac name: 2-PHENYLETHANOL @en
pubchem: 6054
smiles: C1=CC=C(C=C1)CCO
inchikey: WRMNZCZEMHIOCP-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 1Fy2C2ol

koolstoftetrachloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
comment: VLAR III (D3)
cas number: 56-23-5
formula: CCl4
inchi: InChI=1S/CCl4/c2-1(3,4)5
iupac name: Tetrachloromethane @en
pubchem: 5943
smiles: C(Cl)(Cl)(Cl)Cl
inchikey: VZGDMQKNWNREIO-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 002
is referenced by: LUC IV 000
alternative label: tetrachloormethaan (tetra)
alternative label: tetrachloormethaan
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: T4ClC1a

methylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 100-61-8
formula: C7H9N
inchi: InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
iupac name: N-Methylaniline @en
pubchem: 7515
smiles: CNC1=CC=CC=C1
inchikey: AFBPFSWMIHJQDM-UHFFFAOYSA-N
broader: CHEMONTID_0003924
in scheme: Conceptschema Chemische Stoffen
notation: C1yAn

tribroommethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 75-25-2
cas number: 4471-18-5
formula: CHBr3
inchi: InChI=1S/CHBr3/c2-1(3)4/h1H
iupac name: Bromoform @en
pubchem: 5558
smiles: C(Br)(Br)Br
inchikey: DIKBFYAXUHHXCS-UHFFFAOYSA-N
alternative label: bromoform
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: TBrC1a

thiamethoxam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 153719-23-4
formula: C8H10ClN5O3S
inchi: InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+
iupac name: ['(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide', 'N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide'] @en
pubchem: 5821911
smiles: CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl
inchikey: NWWZPOKUUAIXIW-DHZHZOJOSA-N
broader: CHEMONTID_0002635
in scheme: Conceptschema Chemische Stoffen
notation: thiamtxm

diacetylmorfine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2078-90-2
cas number: 561-27-3
formula: C21H23NO5
inchi: InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1
iupac name: [(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate @en
pubchem: 5462328
inchikey: GVGLGOZIDCSQPN-PVHGPHFFSA-N
broader: CHEMONTID_0000058
in scheme: Conceptschema Chemische Stoffen
notation: Dactmfne

flucofuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 370-50-3
formula: C15H8Cl2F6N2O
iupac name: 1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea @en
pubchem: 67788
inchikey: ABOVRDBEJDIBMZ-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: flucfrn

2,6-dichloorbenzoezuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 50-30-6
formula: C7H4Cl2O2
inchi: InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
iupac name: 2,6-Dichlorobenzoic acid @en
pubchem: 5758
smiles: C1=CC(=C(C(=C1)Cl)C(=O)O)Cl
inchikey: MRUDNSFOFOQZDA-UHFFFAOYSA-N
broader: CHEMONTID_0002611
in scheme: Conceptschema Chemische Stoffen
notation: 26DClbenzzr

tiamuline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 55297-95-5
formula: C28H47NO4S
inchi: InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1
iupac name: [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate @en
pubchem: 656958
inchikey: UURAUHCOJAIIRQ-QGLSALSOSA-N
alternative label: thiamuline
broader: CHEMONTID_0002003
in scheme: Conceptschema Chemische Stoffen
notation: tiamlne

2,2',3,5,5'-pentachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52663-61-3
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-6-1-2-10(15)8(3-6)9-4-7(14)5-11(16)12(9)17/h1-5H
iupac name: 1,2,5-trichloro-3-(2,5-dichlorophenyl)benzene @en
pubchem: 40469
inchikey: CRCBRZBVCDKPGA-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB92

dichloorfeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1322-43-6
cas number: 8017-86-5
cas number: 97-23-4
formula: C13H10Cl2O2
inchi: InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
iupac name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol @en
pubchem: 3037
smiles: C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
inchikey: MDNWOSOZYLHTCG-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: DClfn

1,1,2-tribroomethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 78-74-0
formula: C2H3Br3
inchi: InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2
iupac name: 1,1,2-Tribromoethane @en
pubchem: 66222
smiles: C(C(Br)Br)Br
inchikey: QUMDOMSJJIFTCA-UHFFFAOYSA-N
broader: CHEMONTID_0001515
in scheme: Conceptschema Chemische Stoffen
notation: 112TBrC2a

methamfetamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 45952-89-4
cas number: 1690-86-4
cas number: 14611-50-8
cas number: 537-46-2
cas number: 139-47-9
formula: C10H15N
inchi: InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
iupac name: (2S)-N-methyl-1-phenylpropan-2-amine @en
pubchem: 10836
smiles: CC(CC1=CC=CC=C1)NC
inchikey: MYWUZJCMWCOHBA-VIFPVBQESA-N
broader: CHEMONTID_0000188
in scheme: Conceptschema Chemische Stoffen
notation: methafAe

cinnamaldehyde
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14371-10-9
cas number: 104-55-2
formula: C9H8O
inchi: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
iupac name: ['(E)-3-phenylprop-2-enal', '3-phenylprop-2-enal'] @en
pubchem: 637511
smiles: C1=CC=C(C=C1)C=CC=O
inchikey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N
broader: CHEMONTID_0000029
in scheme: Conceptschema Chemische Stoffen
notation: cinnAh

desfenylchloridazon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 6339-19-1
formula: C4H4ClN3O
inchi: InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)
iupac name: 5-amino-4-chloro-2H-pyridazin-3-one @en
pubchem: 95827
smiles: C1=NNC(=O)C(=C1N)Cl
inchikey: FEWPCPCEGBPTAL-UHFFFAOYSA-N
broader: CHEMONTID_0001924
in scheme: Conceptschema Chemische Stoffen
notation: desFyClidzn

tripropyleenglycolmonomethylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 109201-64-1
cas number: 20324-33-8
cas number: 1335-22-4
formula: C10H22O4
inchi: InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3
iupac name: 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol @en
pubchem: 30111
smiles: CC(COC(C)COC(C)COC)O
inchikey: HPFDGTFXAVIVTH-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: TC3yegcC1yEt

2,4-dichloor-6-nitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2683-43-4
formula: C6H4Cl2N2O2
inchi: InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
iupac name: 2,4-Dichloro-6-nitroaniline @en
pubchem: 75893
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)Cl
inchikey: IZEZAMILKKYOPW-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 24DCl6NO2An

(1-ethylnonyl)-benzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4536-87-2
formula: C17H28
inchi: InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3
iupac name: undecan-3-ylbenzene @en
pubchem: 20655
smiles: CCCCCCCCC(CC)C1=CC=CC=C1
inchikey: NVHBFHMWJJMQTG-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 1C2yC9yBen

2-nonadecanon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 629-66-3
formula: C19H38O
inchi: InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3
iupac name: Nonadecan-2-one @en
pubchem: 69423
smiles: CCCCCCCCCCCCCCCCCC(=O)C
inchikey: IEDKVDCIEARIIU-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 2C19on

8:2 fluortelomeerfosfaat monoester
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 57678-03-2
formula: C10H6F17O4P
inchi: InChI=1S/C10H6F17O4P/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl dihydrogen phosphate @en
pubchem: 10143739
inchikey: MIABSAQIFYEDJP-UHFFFAOYSA-N
broader: CHEMONTID_0003458
in scheme: Conceptschema Chemische Stoffen
notation: 8:2 PAP

joxitalaminezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 33954-26-6
cas number: 28179-44-4
formula: C12H10I3N2NaO5
inchi: InChI=1S/C12H11I3N2O5.Na/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);/q;+1/p-1
iupac name: sodium 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoate @en
pubchem: 36637
smiles: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NCCO)I.[Na+]
inchikey: PZTAFRMXSAAHMQ-UHFFFAOYSA-M
broader: CHEMONTID_0004361
in scheme: Conceptschema Chemische Stoffen
notation: joxtlmnzr

tin 113
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13966-06-8
formula: Sn
inchi: InChI=1S/Sn/i1-6
iupac name: tin-113 @en
pubchem: 6335514
smiles: [Sn]
inchikey: ATJFFYVFTNAWJD-VENIDDJXSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Sn113

tridecaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 638-53-9
cas number: 68002-90-4
formula: C13H26O2
inchi: InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
iupac name: Tridecanoic acid @en
pubchem: 12530
smiles: CCCCCCCCCCCCC(=O)O
inchikey: SZHOJFHSIKHZHA-UHFFFAOYSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: C13azr

orthofosfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 264888-19-9
cas number: 14265-44-2
cas number: 68891-72-5
formula: O4P-3
inchi: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
iupac name: phosphate @en
pubchem: 1061
smiles: [O-]P(=O)([O-])[O-]
inchikey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
is referenced by: WAC III C 010
alternative label: fosfaat
broader: CHEMONTID_0001073
in scheme: Conceptschema Chemische Stoffen
notation: PO4

dimethyldisulfide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 624-92-0
cas number: 68920-64-9
formula: C2H6S2
inchi: InChI=1S/C2H6S2/c1-3-4-2/h1-2H3
iupac name: Methyldisulfanylmethane @en
pubchem: 12232
smiles: CSSC
inchikey: WQOXQRCZOLPYPM-UHFFFAOYSA-N
broader: CHEMONTID_0004089
in scheme: Conceptschema Chemische Stoffen
notation: DC1yDS

ketoprofen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 22161-86-0
cas number: 172964-50-0
cas number: 22071-15-4
formula: C16H14O3
inchi: InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
iupac name: 2-[3-(benzoyl)phenyl]propanoic acid @en
pubchem: 3825
smiles: CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
inchikey: DKYWVDODHFEZIM-UHFFFAOYSA-N
broader: CHEMONTID_0000120
in scheme: Conceptschema Chemische Stoffen
notation: ketpfn

2,3,4,5 tetrachlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 634-83-3
formula: C6H3Cl4N
inchi: InChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2
iupac name: 2,3,4,5-TETRACHLOROANILINE @en
pubchem: 12466
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N
inchikey: GBKZRUCVLTWAML-UHFFFAOYSA-N
alternative label: 2,3,4,5-tetrachlooraniline
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 2345T4ClAn

4-nitrodifenylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 836-30-6
formula: C12H10N2O2
inchi: InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
iupac name: 4-Nitro-N-phenylaniline @en
pubchem: 13271
smiles: C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-]
inchikey: XXYMSQQCBUKFHE-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 4NO2DFyAe

pentachlooraniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 527-20-8
formula: C6H2Cl5N
inchi: InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
iupac name: 2,3,4,5,6-Pentachloroaniline @en
pubchem: 10693
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N
inchikey: KHCZSJXTDDHLGJ-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: PeClAn

1,2,3-trichloorpropeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13116-57-9
cas number: 96-19-5
formula: C3H3Cl3
inchi: InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-
iupac name: ['(Z)-1,2,3-trichloroprop-1-ene', '1,2,3-trichloroprop-1-ene'] @en
pubchem: 5370144
smiles: C(C(=CCl)Cl)Cl
inchikey: HIILBTHBHCLUER-IWQZZHSRSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: 123TClC3e

2,2',3,4,4',5,6,6'-octachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 74472-52-9
formula: C12H2Cl8
inchi: InChI=1S/C12H2Cl8/c13-3-1-4(14)6(5(15)2-3)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H
iupac name: 1,2,3,4,5-pentachloro-6-(2,4,6-trichlorophenyl)benzene @en
pubchem: 91721
inchikey: JDZUWXRNKHXZFE-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB204

natriumthiocyanaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13249-87-1
cas number: 104345-12-2
cas number: 540-72-7
formula: CNNaS
inchi: InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1
iupac name: ['SODIUM THIOCYANATE', 'Sodium isothiocyanate'] @en
pubchem: 10905
smiles: C(#N)[S-].[Na+]
inchikey: VGTPCRGMBIAPIM-UHFFFAOYSA-M
broader: CHEMONTID_0004611
in scheme: Conceptschema Chemische Stoffen
notation: NatoCN

ethyleenoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
comment: VLAR III (D3) 'ethyleenoxide'
cas number: 184288-32-2
cas number: 99932-75-9
cas number: 19034-08-3
cas number: 9072-62-2
cas number: 75-21-8
cas number: 37341-05-2
formula: C2H4O
inchi: InChI=1S/C2H4O/c1-2-3-1/h1-2H2
iupac name: ['Oxirane', '1-oxacycloprop-2-yne'] @en
pubchem: 6354
smiles: C1CO1
inchikey: IAYPIBMASNFSPL-UHFFFAOYSA-N
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
notation: C2yeO

3-chloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2051-61-8
formula: C12H9Cl
inchi: InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
iupac name: 1-chloro-3-phenylbenzene @en
pubchem: 16322
smiles: C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
inchikey: NMWSKOLWZZWHPL-UHFFFAOYSA-N
broader: CHEMONTID_0000500
in scheme: Conceptschema Chemische Stoffen
notation: PCB2

methyldihydrojasmonaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 80450-69-7
cas number: 24851-98-7
cas number: 29852-02-6
cas number: 2630-39-9
formula: C13H22O3
inchi: InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
iupac name: methyl 2-(3-oxo-2-pentylcyclopentyl)acetate @en
pubchem: 102861
smiles: CCCCCC1C(CCC1=O)CC(=O)OC
inchikey: KVWWIYGFBYDJQC-UHFFFAOYSA-N
broader: CHEMONTID_0000512
in scheme: Conceptschema Chemische Stoffen
notation: C1yDHjasmnt

foraat-oxon-sulfoxide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2588-05-8
formula: C7H17O4PS2
inchi: InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3
pubchem: 17426
smiles: CCOP(=O)(OCC)SCS(=O)CC
inchikey: RCRHKXGEYNVPDK-UHFFFAOYSA-N
broader: CHEMONTID_0000491
in scheme: Conceptschema Chemische Stoffen
notation: forOonSO

risperidone
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 106266-06-2
formula: C23H27FN4O2
inchi: InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
iupac name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one @en
pubchem: 5073
inchikey: RAPZEAPATHNIPO-UHFFFAOYSA-N
broader: CHEMONTID_0001859
in scheme: Conceptschema Chemische Stoffen
notation: risprdne

dimetridazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 551-92-8
formula: C5H7N3O2
inchi: InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3
iupac name: 1,2-Dimethyl-5-nitroimidazole @en
pubchem: 3090
smiles: CC1=NC=C(N1C)[N+](=O)[O-]
inchikey: IBXPYPUJPLLOIN-UHFFFAOYSA-N
broader: CHEMONTID_0000242
in scheme: Conceptschema Chemische Stoffen
notation: DmTdzl

PCB-28
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7012-37-5
formula: C12H7Cl3
inchi: InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
iupac name: 2,4-dichloro-1-(4-chlorophenyl)benzene @en
pubchem: 23448
smiles: C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl
inchikey: BZTYNSQSZHARAZ-UHFFFAOYSA-N
is referenced by: CMA 3 I
is referenced by: LUC VI 002
alternative label: pcb-28
alternative label: pcb 28
alternative label: 2,4,4'-trichloorbifenyl
alternative label: 2,4,4'-trichloorbifenyl (pcb28)
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB28

dibroomchloorazijnzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 5278-95-5
formula: C2HBr2ClO2
inchi: InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)
iupac name: 2,2-dibromo-2-chloroacetic acid @en
pubchem: 115266
smiles: C(=O)(C(Cl)(Br)Br)O
inchikey: UCZDDMGNCJJAHK-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: DBrClHAc

chlorofyl-b
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 519-62-0
formula: C55H70MgN4O6
inchi: InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32?,33?,36-,40-,51?;/m0./s1
iupac name: magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate @en
pubchem: 11953851
inchikey: NSMUHPMZFPKNMZ-FCFLHPMBSA-M
in scheme: Conceptschema Chemische Stoffen
notation: CHLFb

isoforon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 78-59-1
formula: C9H14O
inchi: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
iupac name: 3,5,5-trimethylcyclohex-2-en-1-one @en
pubchem: 6544
smiles: CC1=CC(=O)CC(C1)(C)C
inchikey: HJOVHMDZYOCNQW-UHFFFAOYSA-N
broader: CHEMONTID_0004325
in scheme: Conceptschema Chemische Stoffen
notation: ifrn

naftaleen-1-carbonitril
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 25551-35-3
cas number: 86-53-3
formula: C11H7N
inchi: InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H
iupac name: Naphthalene-1-carbonitrile @en
pubchem: 6846
smiles: C1=CC=C2C(=C1)C=CC=C2C#N
inchikey: YJMNOKOLADGBKA-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: Naf1cbntl

4-methylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 106-44-5
cas number: 72269-62-6
cas number: 1319-77-3
cas number: 2876-02-0
formula: C7H8O
inchi: InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
iupac name: 4-Methylphenol @en
pubchem: 2879
smiles: CC1=CC=C(C=C1)O
inchikey: IWDCLRJOBJJRNH-UHFFFAOYSA-N
alternative label: p-cresol
alternative label: 4-methylfenol (p-cresol)
broader: CHEMONTID_0001275
in scheme: Conceptschema Chemische Stoffen
notation: pcresl
notation: scresl

5-alfa-cholestan-3-one
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15600-08-5
formula: C27H46O
inchi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3
iupac name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 85881
inchikey: PESKGJQREUXSRR-UHFFFAOYSA-N
broader: CHEMONTID_0001469
in scheme: Conceptschema Chemische Stoffen
notation: 5acholet3on

biperiden
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 514-65-8
formula: C21H29NO
inchi: InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2
iupac name: 1-(6-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol @en
pubchem: 2381
inchikey: YSXKPIUOCJLQIE-UHFFFAOYSA-N
broader: CHEMONTID_0003899
in scheme: Conceptschema Chemische Stoffen
notation: biprdn

seleniet
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14124-67-5
formula: O3Se-2
inchi: InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2
iupac name: selenite @en
pubchem: 1090
smiles: [O-][Se](=O)[O-]
inchikey: MCAHWIHFGHIESP-UHFFFAOYSA-L
broader: CHEMONTID_0001076
in scheme: Conceptschema Chemische Stoffen
notation: SeO3

europium 152
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 14683-23-9
formula: Eu
inchi: InChI=1S/Eu/i1+0
iupac name: europium-152 @en
pubchem: 104907
smiles: [Eu]
inchikey: OGPBJKLSAFTDLK-IGMARMGPSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Eu152

ofurace
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 58810-48-3
cas number: 75789-32-1
formula: C14H16ClNO3
inchi: InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3
iupac name: 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide @en
pubchem: 42850
smiles: CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl
inchikey: OWDLFBLNMPCXSD-UHFFFAOYSA-N
broader: CHEMONTID_0000394
in scheme: Conceptschema Chemische Stoffen
notation: ofrce

2-benzylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 534-83-8
cas number: 28994-41-4
cas number: 1322-51-6
formula: C13H12O
inchi: InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
iupac name: 2-(phenylmethyl)phenol @en
pubchem: 24216
smiles: C1=CC=C(C=C1)CC2=CC=CC=C2O
inchikey: CDMGNVWZXRKJNS-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen

dimethenamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 87674-68-8
formula: C12H18ClNO2S
inchi: InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3
iupac name: 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide @en
pubchem: 91744
smiles: CC1=CSC(=C1N(C(C)COC)C(=O)CCl)C
inchikey: JLYFCTQDENRSOL-UHFFFAOYSA-N
alternative label: dimethenamid
broader: CHEMONTID_0004144
in scheme: Conceptschema Chemische Stoffen
notation: DmtAd

methylfenylsulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3112-85-4
formula: C7H8O2S
inchi: InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
iupac name: methylsulfonylbenzene @en
pubchem: 18369
smiles: CS(=O)(=O)C1=CC=CC=C1
inchikey: JCDWETOKTFWTHA-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: C1yFysfn

ethyleenglycoldinitraat (egdn)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 121749-11-9
cas number: 628-96-6
formula: C2H4N2O6
inchi: InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2
iupac name: 2-nitrooxyethyl nitrate @en
pubchem: 40818
smiles: C(CO[N+](=O)[O-])O[N+](=O)[O-]
inchikey: UQXKXGWGFRWILX-UHFFFAOYSA-N
alternative label: ethyleenglycoldinitraat (EGDN)
broader: CHEMONTID_0004091
in scheme: Conceptschema Chemische Stoffen
notation: C2yegcDNO3

2,6-dimethylheptaan-4-on
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 68514-40-9
cas number: 108-83-8
formula: C9H18O
inchi: InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
iupac name: 2,6-Dimethylheptan-4-one @en
pubchem: 7958
smiles: CC(C)CC(=O)CC(C)C
inchikey: PTTPXKJBFFKCEK-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 012
is referenced by: LUC IV 007
alternative label: 2,6-dimethyl-4-heptanon
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 26DC1y4C7on

alachloor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 15972-60-8
formula: C14H20ClNO2
inchi: InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
iupac name: 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide @en
pubchem: 2078
smiles: CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl
inchikey: XCSGPAVHZFQHGE-UHFFFAOYSA-N
alternative label: alachlor
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: alCl

4-methylcyclohexanon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 1331-22-2
cas number: 589-92-4
formula: C7H12O
inchi: InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
iupac name: 4-methylcyclohexan-1-one @en
pubchem: 11525
smiles: CC1CCC(=O)CC1
inchikey: VGVHNLRUAMRIEW-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 007
alternative label: methylcyclohexanon
broader: CHEMONTID_0003487
in scheme: Conceptschema Chemische Stoffen
notation: 4Cy1cycC6on

cefalexine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15686-71-2
cas number: 105879-42-3
formula: C16H20ClN3O5S
inchi: InChI=1S/C16H17N3O4S.ClH.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H;1H2/t10-,11-,15-;;/m1../s1
iupac name: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate hydrochloride @en
pubchem: 62979
inchikey: YHJDZIQOCSDIQU-OEDJVVDHSA-N
broader: CHEMONTID_0000173
in scheme: Conceptschema Chemische Stoffen
notation: ceflxne

1,7-naftyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 253-69-0
formula: C8H6N2
inchi: InChI=1S/C8H6N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-6H
iupac name: 1,7-NAPHTHYRIDINE @en
pubchem: 9209
smiles: C1=CC2=C(C=NC=C2)N=C1
inchikey: MXBVNILGVJVVMH-UHFFFAOYSA-N
broader: CHEMONTID_0001857
in scheme: Conceptschema Chemische Stoffen
notation: 17naftrdne

2-hydroxy-cyclohexanon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 114818-70-1
cas number: 30282-14-5
cas number: 533-60-8
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2
iupac name: 2-Hydroxycyclohexan-1-one @en
pubchem: 10785
smiles: C1CCC(=O)C(C1)O
inchikey: ODZTXUXIYGJLMC-UHFFFAOYSA-N
broader: CHEMONTID_0001292
in scheme: Conceptschema Chemische Stoffen
notation: 2HOxccC6on

lanthaan 140
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13981-28-7
formula: La
inchi: InChI=1S/La/i1+1
iupac name: lanthanum-140 @en
pubchem: 104882
smiles: [La]
inchikey: FZLIPJUXYLNCLC-OUBTZVSYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: La140

tebupirimfos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 96182-53-5
formula: C13H23N2O3PS
inchi: InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3
iupac name: (2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidenephosphorane @en
pubchem: 93516
smiles: CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C
inchikey: AWYOMXWDGWUJHS-UHFFFAOYSA-N
broader: CHEMONTID_0004771
in scheme: Conceptschema Chemische Stoffen
notation: tebprfs

octacosaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 630-02-4
formula: C28H58
iupac name: Octacosane @en
pubchem: 12408
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: ZYURHZPYMFLWSH-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C28a

2-naftaleensulfonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 120-18-3
cas number: 54257-18-0
formula: C10H8O3S
inchi: InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
iupac name: naphthalene-2-sulfonic acid @en
pubchem: 8420
smiles: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O
inchikey: KVBGVZZKJNLNJU-UHFFFAOYSA-N
broader: CHEMONTID_0003601
in scheme: Conceptschema Chemische Stoffen
notation: 2Nafsfzr

1,2-dichloor-1,1,2-trifluorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 354-23-4
formula: C2HCl2F3
inchi: InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H
iupac name: 1,2-Dichloro-1,1,2-trifluoroethane @en
pubchem: 9631
smiles: C(C(F)(F)Cl)(F)Cl
inchikey: YMRMDGSNYHCUCL-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK123a

hexaflumuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 86479-06-3
formula: C16H8Cl2F6N2O3
iupac name: N-[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide @en
pubchem: 91741
inchikey: RGNPBRKPHBKNKX-UHFFFAOYSA-N
broader: CHEMONTID_0004513
in scheme: Conceptschema Chemische Stoffen
notation: Hxfmrn

stikstofdioxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II diverse art.
comment: VLAR II bijl. 4.4.2
comment: VLAR bijl. 2.5.3. 'NO2'
cas number: 127999-62-6
cas number: 78246-05-6
cas number: 56003-83-9
cas number: 119990-11-3
cas number: 50443-93-1
cas number: 66252-28-6
cas number: 10102-44-0
formula: NO2
inchi: InChI=1S/NO2/c2-1-3
iupac name: Nitrogen dioxide @en
pubchem: 3032552
smiles: N(=O)[O]
inchikey: JCXJVPUVTGWSNB-UHFFFAOYSA-N
is referenced by: LUC II 001
alternative label: stikstofdioxide (NO2)
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen

2,6,10,14-tetramethylpentadecaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1921-70-6
formula: C19H40
inchi: InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3
iupac name: 2,6,10,14-Tetramethylpentadecane @en
pubchem: 15979
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)C
inchikey: XOJVVFBFDXDTEG-UHFFFAOYSA-N
broader: CHEMONTID_0001357
in scheme: Conceptschema Chemische Stoffen
notation: 261014T4C1yC

antimoon 122
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14374-79-9
formula: Sb
inchi: InChI=1S/Sb/i1+0
iupac name: antimony-122 @en
pubchem: 6335836
smiles: [Sb]
inchikey: WATWJIUSRGPENY-IGMARMGPSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Sb122

chlorpyrifos-methyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 5598-13-0
formula: C7H7Cl3NO3PS
inchi: InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
iupac name: dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane @en
pubchem: 21803
smiles: COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl
inchikey: HRBKVYFZANMGRE-UHFFFAOYSA-N
alternative label: methylchloorpyrifos
alternative label: chloorpyrifos-methyl
broader: CHEMONTID_0004623
in scheme: Conceptschema Chemische Stoffen
notation: C1yClprfs

2-(1,1-dimethylethyl)-5-methylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 88-60-8
formula: C11H16O
inchi: InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3
iupac name: 2-tert-Butyl-5-methylphenol @en
pubchem: 6937
smiles: CC1=CC(=C(C=C1)C(C)(C)C)O
inchikey: XOUQAVYLRNOXDO-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 211DC1yC2y5C

2,4,6-trimethylpyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 108-75-8
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3
iupac name: 2,4,6-Trimethylpyridine @en
pubchem: 7953
smiles: CC1=CC(=NC(=C1)C)C
inchikey: BWZVCCNYKMEVEX-UHFFFAOYSA-N
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
notation: 246TC1yprdne

2-(2-(2-methoxyethoxy)ethoxy)ethanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 112-35-6
formula: C7H16O4
inchi: InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
iupac name: 2-[2-(2-Methoxyethoxy)ethoxy]ethanol @en
pubchem: 8178
smiles: COCCOCCOCCO
inchikey: JLGLQAWTXXGVEM-UHFFFAOYSA-N
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen
notation: 222C1oxC2oxC

alfa-fenchylacetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4057-31-2
formula: C12H20O2
inchi: InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3
iupac name: (1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate @en
pubchem: 107217
smiles: CC(=O)OC1C(C2CCC1(C2)C)(C)C
inchikey: JUWUWIGZUVEFQB-UHFFFAOYSA-N
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
notation: afencactt

2,2',3,3',4,6'-hexachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 38380-05-1
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-6-3-4-7(14)11(17)9(6)5-1-2-8(15)12(18)10(5)16/h1-4H
iupac name: 1,2,3-trichloro-4-(2,3,6-trichlorophenyl)benzene @en
pubchem: 38017
inchikey: OKBJVIVEFXPEOU-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB132

broomchloormethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 74-97-5
cas number: 83847-49-8
cas number: 13590-47-1
formula: CH2BrCl
inchi: InChI=1S/CH2BrCl/c2-1-3/h1H2
iupac name: bromo-chloromethane @en
pubchem: 6333
smiles: C(Cl)Br
inchikey: JPOXNPPZZKNXOV-UHFFFAOYSA-N
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: halon1011

2-(2-butoxyethoxy)ethylacetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 98100-70-0
cas number: 124-17-4
formula: C10H20O4
inchi: InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3
iupac name: 2-(2-Butoxyethoxy)ethyl acetate @en
pubchem: 31288
smiles: CCCCOCCOCCOC(=O)C
inchikey: VXQBJTKSVGFQOL-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: 22C4oxC2ox02

9,9-dimethylxantheen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 19814-75-6
formula: C15H14O
inchi: InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3
iupac name: 9,9-Dimethylxanthene @en
pubchem: 606997
smiles: CC1(C2=CC=CC=C2OC3=CC=CC=C31)C
inchikey: MTVNAPYHLASOSX-UHFFFAOYSA-N
broader: CHEMONTID_0000200
in scheme: Conceptschema Chemische Stoffen
notation: 99DC1yxtn

fenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR III (D3, diverse art)
comment: VLAR II bijl. 4.4.2
cas number: 27073-41-2
cas number: 63496-48-0
cas number: 73607-76-8
cas number: 61788-41-8
cas number: 108-95-2
cas number: 1336-35-2
cas number: 50356-25-7
cas number: 14534-23-7
cas number: 8002-07-1
formula: C6H6O
inchi: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
iupac name: PHENOL @en
pubchem: 996
smiles: C1=CC=C(C=C1)O
inchikey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
is referenced by: LUC III 005
broader: CHEMONTID_0004647
in scheme: Conceptschema Chemische Stoffen
notation: Fol

chloorprothixene
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 113-59-7
formula: C18H18ClNS
inchi: InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
iupac name: (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine @en
pubchem: 667467
smiles: CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
inchikey: WSPOMRSOLSGNFJ-AUWJEWJLSA-N
broader: CHEMONTID_0000199
in scheme: Conceptschema Chemische Stoffen
notation: Clptxne

2,3,3',4,5,6-hexachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 74472-44-9
cas number: 41411-62-5
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-11(17)8(15)4-9(16)12(10)18/h1-4H
iupac name: 1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)benzene @en
pubchem: 63079
inchikey: ZAGRQXMWMRUYRB-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB160

dimethomorf
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 110488-70-5
formula: C21H22ClNO4
inchi: InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-
iupac name: (Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one @en
pubchem: 5463781
inchikey: QNBTYORWCCMPQP-JXAWBTAJSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: Dmtmf

1-chloornaftaleen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 90-13-1
formula: C10H7Cl
inchi: InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
iupac name: 1-Chloronaphthalene @en
pubchem: 7003
smiles: C1=CC=C2C(=C1)C=CC=C2Cl
inchikey: JTPNRXUCIXHOKM-UHFFFAOYSA-N
broader: CHEMONTID_0004794
in scheme: Conceptschema Chemische Stoffen
notation: 1ClNaf

methyl-1H-benzotriazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 29878-31-7
cas number: 29385-43-1
formula: C7H7N3
inchi: InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
iupac name: 4-methyl-2H-benzotriazole @en
pubchem: 122499
smiles: CC1=CC=CC2=NNN=C12
inchikey: CMGDVUCDZOBDNL-UHFFFAOYSA-N
alternative label: 4-methyl-1H-benzotriazool
broader: CHEMONTID_0000315
in scheme: Conceptschema Chemische Stoffen
notation: C1y1Hbztazl
notation: 4C1y1Hbztazl

fenmedifam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 13684-63-4
formula: C16H16N2O4
inchi: InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
iupac name: [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate @en
pubchem: 24744
inchikey: IDOWTHOLJBTAFI-UHFFFAOYSA-N
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
notation: fenmdfm

natriumpentachloorfenaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 131-52-2
formula: C6Cl5NaO
inchi: InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1
iupac name: sodium 2,3,4,5,6-pentachlorophenolate @en
pubchem: 8568
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]
inchikey: HCJLVWUMMKIQIM-UHFFFAOYSA-M
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: NaPeClfnt

hafnium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7440-58-6
cas number: 412316-00-8
formula: Hf
inchi: InChI=1S/Hf
iupac name: HAFNIUM @en
pubchem: 23986
smiles: [Hf]
inchikey: VBJZVLUMGGDVMO-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Hf

dienochloor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2227-17-0
formula: C10Cl10
inchi: InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18
iupac name: 1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachloro-1-cyclopenta-2,4-dienyl)cyclopenta-1,3-diene @en
pubchem: 16686
inchikey: LWLJUMBEZJHXHV-UHFFFAOYSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: DenCl

propamocarb hydrochloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25606-41-1
cas number: 24579-73-5
formula: C9H21ClN2O2
inchi: InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H
iupac name: dimethyl-[3-(propoxycarbonylamino)propyl]azanium chloride @en
pubchem: 33112
smiles: CCCOC(=O)NCCC[NH+](C)C.[Cl-]
inchikey: MKIMSXGUTQTKJU-UHFFFAOYSA-N
alternative label: propamocarb
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
notation: propmcbHCl
notation: propmcb

1,2,3-trimethylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'trimethylbenzeen'
cas number: 25551-13-7
cas number: 526-73-8
formula: C9H12
inchi: InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
iupac name: 1,2,3-Trimethylbenzene @en
pubchem: 10686
smiles: CC1=C(C(=CC=C1)C)C
inchikey: FYGHSUNMUKGBRK-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 001
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 123TC1yBen

kobalt 57
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 13981-50-5
formula: Co
inchi: InChI=1S/Co/i1-2
iupac name: cobalt-57 @en
pubchem: 104851
smiles: [Co]
inchikey: GUTLYIVDDKVIGB-YPZZEJLDSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Co57

koolstofdisulfide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II Art. 5.7.14.1
comment: VLAREM II bijlage 4.4.2 'zwavelkoolstof'
cas number: 355120-85-3
cas number: 75-15-0
cas number: 12539-80-9
formula: CS2
inchi: InChI=1S/CS2/c2-1-3
iupac name: methanedithione @en
pubchem: 6348
smiles: C(=S)=S
inchikey: QGJOPFRUJISHPQ-UHFFFAOYSA-N
broader: CHEMONTID_0000555
in scheme: Conceptschema Chemische Stoffen
notation: CS2

amisulpride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 71675-85-9
formula: C17H27N3O4S
inchi: InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
iupac name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide @en
pubchem: 2159
inchikey: NTJOBXMMWNYJFB-UHFFFAOYSA-N
broader: CHEMONTID_0001917
in scheme: Conceptschema Chemische Stoffen
notation: amspde

2,4-dichloorbenzoezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 50-84-0
formula: C7H4Cl2O2
inchi: InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
iupac name: 2,4-Dichlorobenzoic acid @en
pubchem: 5787
smiles: C1=CC(=C(C=C1Cl)Cl)C(=O)O
inchikey: ATCRIUVQKHMXSH-UHFFFAOYSA-N
broader: CHEMONTID_0002611
in scheme: Conceptschema Chemische Stoffen
notation: 24DClbenzzr

triamcinolonehexacetonide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 5611-51-8
formula: C30H41FO7
inchi: InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1
iupac name: [2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate @en
pubchem: 21826
inchikey: TZIZWYVVGLXXFV-FLRHRWPCSA-N
broader: CHEMONTID_0001468
in scheme: Conceptschema Chemische Stoffen
notation: TacnlnHxactn

pcb-101
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 37680-73-2
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
iupac name: 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene @en
pubchem: 37807
inchikey: LAHWLEDBADHJGA-UHFFFAOYSA-N
is referenced by: CMA 3 I
is referenced by: LUC VI 002
alternative label: 2,2',4,5,5'-pentachloorbifenyl
alternative label: pcb 101
alternative label: PCB-101
alternative label: 2,2',4,5,5'-pentachloorbifenyl (pcb101)
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB101

dicyclopentadieen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 107760-16-7
cas number: 45737-84-6
cas number: 151065-56-4
cas number: 1755-01-7
cas number: 77-73-6
cas number: 60328-38-3
cas number: 54335-17-0
cas number: 25038-78-2
formula: C10H12
inchi: InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2
iupac name: tricyclo[5.2.1.02,6]deca-3,8-diene @en
pubchem: 6492
smiles: C1C=CC2C1C3CC2C=C3
inchikey: HECLRDQVFMWTQS-UHFFFAOYSA-N
broader: CHEMONTID_0004149
in scheme: Conceptschema Chemische Stoffen
notation: DccPeDen

styreen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 68987-41-7
cas number: 100-42-5
cas number: 68441-35-0
cas number: 12770-88-6
cas number: 9003-53-6
cas number: 79637-11-9
formula: C8H8
inchi: InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
iupac name: Ethenylbenzene @en
pubchem: 7501
smiles: C=CC1=CC=CC=C1
inchikey: PPBRXRYQALVLMV-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 001
is referenced by: LUC IV 000
alternative label: polystyreen
broader: CHEMONTID_0000037
in scheme: Conceptschema Chemische Stoffen
notation: polstyrn
notation: styrn

fluroxypyr
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 69377-81-7
formula: C7H5Cl2FN2O3
inchi: InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
iupac name: 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetic acid @en
pubchem: 50465
smiles: C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F
inchikey: MEFQWPUMEMWTJP-UHFFFAOYSA-N
broader: CHEMONTID_0003971
in scheme: Conceptschema Chemische Stoffen
notation: flurOxpr

E-nitenpyram
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 150824-47-8
formula: C11H15ClN4O2
inchi: InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+
iupac name: ["(E)-N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine", "N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine"] @en
pubchem: 3034287
smiles: CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC
inchikey: CFRPSFYHXJZSBI-DHZHZOJOSA-N
alternative label: e-nitenpyram
broader: CHEMONTID_0004532
in scheme: Conceptschema Chemische Stoffen
notation: E-nitprm

1,1,2-trichloorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 598-77-6
formula: C3H5Cl3
inchi: InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3
iupac name: 1,1,2-TRICHLOROPROPANE @en
pubchem: 11733
smiles: CC(C(Cl)Cl)Cl
inchikey: GRSQYISVQKPZCW-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 112TClC3a

3-methylpentaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 96-14-0
formula: C6H14
inchi: InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
iupac name: 3-Methylpentane @en
pubchem: 7282
smiles: CCC(C)CC
inchikey: PFEOZHBOMNWTJB-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yC5a

vanadium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3) 'Vanadium en vanadiumverbindingen, uitgedrukt in vanadium (V)'
comment: VLAR II bijl. 4.4.2 'vanadium en zijn verbindingen, uitgedrukt in V'
comment: VLAR II D5 'vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)' of 'vanadium'
comment: VLAR III (D3, diverse art) 'V'
comment: VLAR III (D3) 'vanadium'
cas number: 7440-62-2
cas number: 22537-31-1
cas number: 14782-33-3
cas number: 22541-77-1
cas number: 24763-58-4
cas number: 195161-77-4
formula: V
inchi: InChI=1S/V
iupac name: Vanadium @en
pubchem: 23990
smiles: [V]
inchikey: LEONUFNNVUYDNQ-UHFFFAOYSA-N
is referenced by: LUC I 002
is referenced by: LUC III 010
alternative label: Vanadium (V)
broader: CHEMONTID_0000426
definition: vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)
in scheme: Conceptschema Chemische Stoffen
notation: V

pizotifen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 15574-96-6
formula: C19H21NS
inchi: InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
iupac name: 1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine @en
pubchem: 27400
smiles: CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1
inchikey: FIADGNVRKBPQEU-UHFFFAOYSA-N
broader: CHEMONTID_0002338
in scheme: Conceptschema Chemische Stoffen
notation: piztfn

pyrimidifen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 105779-78-0
formula: C20H28ClN3O2
inchi: InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)
iupac name: 5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine @en
pubchem: 6451139
inchikey: ITKAIUGKVKDENI-UHFFFAOYSA-N
broader: CHEMONTID_0000139
in scheme: Conceptschema Chemische Stoffen
notation: pyrmdfn

formetanaat-hydrochloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 23422-53-9
cas number: 18413-17-7
cas number: 22259-30-9
cas number: 26445-73-8
formula: C11H16ClN3O2
inchi: InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H
iupac name: [3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate hydrochloride @en
pubchem: 31899
smiles: CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl
inchikey: MYPKGPZHHQEODQ-UHFFFAOYSA-N
alternative label: formetanaat
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: formtnHCl
notation: formtnt

fenazaquin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 120928-09-8
formula: C20H22N2O
inchi: InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3
iupac name: 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline @en
pubchem: 86356
inchikey: DMYHGDXADUDKCQ-UHFFFAOYSA-N
broader: CHEMONTID_0000485
in scheme: Conceptschema Chemische Stoffen
notation: fenzqn

propofol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2078-54-8
cas number: 28449-97-0
cas number: 50356-15-5
formula: C12H18O
inchi: InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
iupac name: 2,6-di(propan-2-yl)phenol @en
pubchem: 4943
smiles: CC(C)C1=C(C(=CC=C1)C(C)C)O
inchikey: OLBCVFGFOZPWHH-UHFFFAOYSA-N
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: propfl

hydropreen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 41205-09-8
cas number: 36557-30-9
cas number: 36804-82-7
cas number: 38473-62-0
cas number: 41096-46-2
formula: C17H30O2
inchi: InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+
iupac name: ['ethyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate', 'Ethyl 3,7,11-trimethyldodeca-2,4-dienoate'] @en
pubchem: 5372477
smiles: CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C
inchikey: FYQGBXGJFWXIPP-UEVLXMDPSA-N
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: Hpn

cis-1-chloor-1-propeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 590-21-6
cas number: 16136-84-8
formula: C3H5Cl
inchi: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2-
iupac name: (Z)-1-chloroprop-1-ene @en
pubchem: 5326315
smiles: CC=CCl
inchikey: OWXJKYNZGFSVRC-IHWYPQMZSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: c1Cl1C3e

2,6-tolueendiisocyanaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 137091-34-0
cas number: 91-08-7
cas number: 9017-01-0
cas number: 168753-74-0
cas number: 110839-12-8
formula: C9H6N2O2
inchi: InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
iupac name: 1,3-Diisocyanato-2-methylbenzene @en
pubchem: 7040
smiles: CC1=C(C=CC=C1N=C=O)N=C=O
inchikey: RUELTTOHQODFPA-UHFFFAOYSA-N
broader: CHEMONTID_0003983
in scheme: Conceptschema Chemische Stoffen
notation: 26TolDiCN

3-hydroxy carbamazepine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68011-67-6
formula: C15H12N2O2
inchi: InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)
iupac name: 9-hydroxybenzo[b][1]benzazepine-11-carboxamide @en
pubchem: 135290
inchikey: QQCFBZCATDIWTH-UHFFFAOYSA-N
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: 3HOxcbmzpne

dibenz(a,h)acridine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 226-36-8
formula: C21H13N
inchi: InChI=1S/C21H13N/c1-3-7-17-14(5-1)11-12-20-19(17)13-16-10-9-15-6-2-4-8-18(15)21(16)22-20/h1-13H
iupac name: 2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene @en
pubchem: 9183
inchikey: JNCSIWAONQTVCF-UHFFFAOYSA-N
broader: CHEMONTID_0003017
in scheme: Conceptschema Chemische Stoffen
notation: Dbenzahacdne

cyclanilide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 113136-77-9
formula: C11H9Cl2NO3
inchi: InChI=1S/C11H9Cl2NO3/c12-5-1-2-9(8(13)3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)
iupac name: 2-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid @en
pubchem: 86133
smiles: C1C(C1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)Cl
inchikey: DIOZMSACJPTBST-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: cycnlde

tricosaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 638-67-5
formula: C23H48
iupac name: Tricosane @en
pubchem: 12534
smiles: CCCCCCCCCCCCCCCCCCCCCCC
inchikey: FIGVVZUWCLSUEI-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C23a

2,2',4,6'-tetrabroomdifenylether
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 97038-95-4
formula: C12H6Br4
inchi: InChI=1S/C12H6Br4/c13-7-4-5-8(11(16)6-7)12-9(14)2-1-3-10(12)15/h1-6H
iupac name: 2,4-dibromo-1-(2,6-dibromophenyl)benzene @en
pubchem: 154509
inchikey: HFDOVSPQVPECFP-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: PBDE51

4-dimethylaminoazobenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 60-11-7
cas number: 55964-95-9
cas number: 77126-00-2
formula: C14H15N3
inchi: InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3
iupac name: N,N-dimethyl-4-phenyldiazenylaniline @en
pubchem: 6053
smiles: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2
inchikey: JCYPECIVGRXBMO-UHFFFAOYSA-N
broader: CHEMONTID_0003370
in scheme: Conceptschema Chemische Stoffen
notation: 4DC1yAoazBen

lutetium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7439-94-3
cas number: 110123-46-1
formula: Lu
inchi: InChI=1S/Lu
iupac name: LUTETIUM @en
pubchem: 23929
smiles: [Lu]
inchikey: OHSVLFRHMCKCQY-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Lu

4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,dina-zout
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 6022-22-6
formula: C28H14N2Na2O10S2
iupac name: disodium 1-amino-4-(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)-9,10-dioxoanthracene-2-sulfonate @en
pubchem: 80119
inchikey: OKHQKAVALRCESS-UHFFFAOYSA-L
alternative label: 4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,diNa-zout
broader: CHEMONTID_0000151
in scheme: Conceptschema Chemische Stoffen
notation: 44DAo11btcnn

N-(2-fenylethyl)formamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 23069-99-0
formula: C9H11NO
inchi: InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)
iupac name: N-(2-phenylethyl)formamide @en
pubchem: 140995
smiles: C1=CC=C(C=C1)CCNC=O
inchikey: NOOOMJZHMKSKBF-UHFFFAOYSA-N
alternative label: n-(2-fenylethyl)formamide
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: N2FyC2yfAd

3,5-dinitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 618-87-1
formula: C6H5N3O4
inchi: InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2
iupac name: 3,5-Dinitroaniline @en
pubchem: 12068
smiles: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
inchikey: MPBZUKLDHPOCLS-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: 35DNO2An

metribuzin-desamino
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 35045-02-4
formula: C8H13N3OS
inchi: InChI=1S/C8H13N3OS/c1-8(2,3)5-6(12)9-7(13-4)11-10-5/h1-4H3,(H,9,11,12)
iupac name: 6-tert-butyl-3-methylsulfanyl-2H-1,2,4-triazin-5-one @en
pubchem: 37028
smiles: CC(C)(C)C1=NNC(=NC1=O)SC
inchikey: MIWRSUQXSCLDNV-UHFFFAOYSA-N
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
notation: metbzdAo

endrin keton
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7378-10-1
cas number: 53494-70-5
formula: C12H8Cl6O
inchi: InChI=1S/C12H8Cl6O/c13-8-9(14)6-2-1-3(7(6)19)4-5(2)11(9,16)12(17,18)10(4,8)15/h2-6,8H,1H2
iupac name: 1,2,2,3,10,11-hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-one @en
pubchem: 62060
inchikey: IZHZFAQWVKBTSL-UHFFFAOYSA-N
broader: CHEMONTID_0001549
in scheme: Conceptschema Chemische Stoffen

nafthionaat natriumzout
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14047-61-1
cas number: 130-13-2
formula: C10H8NNaO3S
inchi: InChI=1S/C10H9NO3S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1
iupac name: sodium 4-aminonaphthalene-1-sulfonate @en
pubchem: 8529
smiles: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.[Na+]
inchikey: JWSRMCCRAJUMLX-UHFFFAOYSA-M
broader: CHEMONTID_0003600
in scheme: Conceptschema Chemische Stoffen
notation: naftontNa

dinatriumcyanodithioimidocarbonaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 138-93-2
formula: C2N2Na2S2
inchi: InChI=1S/C2H2N2S2.2Na/c3-1-4-2(5)6;;/h(H2,4,5,6);;/q;2*+1/p-2
iupac name: disodium cyanoiminomethanedithiolate @en
pubchem: 61088
smiles: C(#N)N=C([S-])[S-].[Na+].[Na+]
inchikey: AZDIXEXNLJMBJO-UHFFFAOYSA-L
broader: CHEMONTID_0004099
in scheme: Conceptschema Chemische Stoffen
notation: DNaCNDtoimdC

3,3-dimethylpentaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 562-49-2
formula: C7H16
inchi: InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3
iupac name: 3,3-Dimethylpentane @en
pubchem: 11229
smiles: CCC(C)(C)CC
inchikey: AEXMKKGTQYQZCS-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 33DC1yC5a

triethanolamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 36549-55-0
cas number: 64114-46-1
cas number: 36549-54-9
cas number: 105655-27-4
cas number: 102-71-6
cas number: 36659-79-7
cas number: 36549-53-8
cas number: 20261-61-4
cas number: 126068-67-5
formula: C6H15NO3
inchi: InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
iupac name: ['2-(bis(2-hydroxyethynyl)amino)ethynol', '2-(bis(2-hydroxyethyl)amino)ethanol'] @en
pubchem: 7618
smiles: C(CO)N(CCO)CCO
inchikey: GSEJCLTVZPLZKY-UHFFFAOYSA-N
broader: CHEMONTID_0001897
in scheme: Conceptschema Chemische Stoffen
notation: TC2olAe

2,2',4-trichloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 37680-66-3
formula: C12H7Cl3
inchi: InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H
iupac name: 2,4-dichloro-1-(2-chlorophenyl)benzene @en
pubchem: 37804
smiles: C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl
inchikey: YKKYCYQDUUXNLN-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB17

2,2',5,5'-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 35693-99-3
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H
iupac name: 1,4-dichloro-2-(2,5-dichlorophenyl)benzene @en
pubchem: 37248
smiles: C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl
inchikey: HCWZEPKLWVAEOV-UHFFFAOYSA-N
is referenced by: LUC VI 002
is referenced by: CMA 3 I
alternative label: 2,2',5,5'-tetrachloorbifenyl (pcb52)
alternative label: PCB-52
alternative label: pcb-52
alternative label: pcb 52
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB52

2,3,4-trichlooraniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 54686-91-8
cas number: 634-67-3
formula: C6H4Cl3N
inchi: InChI=1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
iupac name: 2,3,4-TRICHLOROANILINE @en
pubchem: 12464
smiles: C1=CC(=C(C(=C1N)Cl)Cl)Cl
inchikey: RRJUYQOFOMFVQS-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 234TClAn

3-methylheptaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 116502-43-3
cas number: 589-81-1
formula: C8H18
inchi: InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
iupac name: 3-Methylheptane @en
pubchem: 11519
smiles: CCCCC(C)CC
inchikey: LAIUFBWHERIJIH-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yC7a

cyhexatin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13121-70-5
formula: C18H35OSn
inchi: InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;
iupac name: tricyclohexyltin hydrate @en
pubchem: 6327054
smiles: C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O
inchikey: UGCNRZFAUBJVPT-UHFFFAOYSA-N
broader: CHEMONTID_0003940
in scheme: Conceptschema Chemische Stoffen
notation: cyhxtn

terbutryn
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 886-50-0
formula: C10H19N5S
inchi: InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
iupac name: N-tert-butyl-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine @en
pubchem: 13450
smiles: CCNC1=NC(=NC(=N1)SC)NC(C)(C)C
inchikey: IROINLKCQGIITA-UHFFFAOYSA-N
alternative label: terbutrin
broader: CHEMONTID_0004735
in scheme: Conceptschema Chemische Stoffen
notation: terbtn

2-ethylhexylacrylaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1322-13-0
cas number: 78733-32-1
cas number: 93460-77-6
cas number: 126830-03-3
cas number: 9003-77-4
cas number: 84948-57-2
cas number: 126830-02-2
cas number: 103-11-7
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3
iupac name: 2-ethylhexyl prop-2-enoate @en
pubchem: 7636
smiles: CCCCC(CC)COC(=O)C=C
inchikey: GOXQRTZXKQZDDN-UHFFFAOYSA-N
broader: CHEMONTID_0004452
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yC6yaclt

benzoximaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 29104-30-1
formula: C18H18ClNO5
inchi: InChI=1S/C18H18ClNO5/c1-4-20(25-18(22)12-8-6-5-7-9-12)17(21)15-14(23-2)11-10-13(19)16(15)24-3/h5-11H,4H2,1-3H3
iupac name: [(3-chloro-2,6-dimethoxybenzoyl)-ethylamino] benzoate @en
pubchem: 34475
inchikey: HOERQTQCTISLFR-UHFFFAOYSA-N
broader: CHEMONTID_0004111
in scheme: Conceptschema Chemische Stoffen
notation: benzxmt

n,4-dimethylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 623-08-5
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3
iupac name: N,4-DIMETHYLANILINE @en
pubchem: 12165
smiles: CC1=CC=C(C=C1)NC
inchikey: QCIFLGSATTWUQJ-UHFFFAOYSA-N
alternative label: N,4-dimethylaniline
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: N4DC1yAn

dodecyltrimethylammonium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1119-94-4
cas number: 157929-06-1
formula: C15H34BrN
inchi: InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
iupac name: dodecyl-trimethylazanium bromide @en
pubchem: 14249
smiles: CCCCCCCCCCCC[N+](C)(C)C.[Br-]
inchikey: XJWSAJYUBXQQDR-UHFFFAOYSA-M
alternative label: dodecyltrimethylammonium bromide
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: C12yTC1yNH4B

didodecylftalaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2432-90-8
formula: C32H54O4
inchi: InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3
iupac name: didodecyl benzene-1,2-dicarboxylate @en
pubchem: 17082
inchikey: PUFGCEQWYLJYNJ-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC12yFt

perthaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 72-56-0
formula: C18H20Cl2
inchi: InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3
iupac name: 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene @en
pubchem: 6295
inchikey: QFMDFTQOJHFVNR-UHFFFAOYSA-N
alternative label: perthane
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: pertn

fluticasonpropionaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 80474-14-2
formula: C25H31F3O5S
inchi: InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16?,18+,19+,22+,23+,24+,25+/m1/s1
iupac name: [(6S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate @en
pubchem: 54580
inchikey: WMWTYOKRWGGJOA-ZHLGSTKJSA-N
broader: CHEMONTID_0001691
in scheme: Conceptschema Chemische Stoffen
notation: flutcsppont

1-decanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 70084-71-8
cas number: 85566-12-7
cas number: 36729-58-5
cas number: 118374-94-0
cas number: 66455-17-2
cas number: 112-30-1
formula: C10H22O
inchi: InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
iupac name: DECAN-1-OL @en
pubchem: 8174
smiles: CCCCCCCCCCO
inchikey: MWKFXSUHUHTGQN-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 1C10ol

metformine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4931-70-8
cas number: 657-24-9
formula: C4H11N5
inchi: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
iupac name: 3-(diaminomethylidene)-1,1-dimethylguanidine @en
pubchem: 4091
smiles: CN(C)C(=N)N=C(N)N
inchikey: XZWYZXLIPXDOLR-UHFFFAOYSA-N
broader: CHEMONTID_0000474
in scheme: Conceptschema Chemische Stoffen
notation: metfmne

heptadecaanzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 39390-60-8
cas number: 8034-56-8
cas number: 8034-58-0
cas number: 52051-63-5
cas number: 1338-46-1
cas number: 8043-36-5
cas number: 506-12-7
cas number: 68424-37-3
cas number: 28829-31-4
cas number: 45237-52-3
cas number: 8000-11-1
cas number: 176435-16-8
cas number: 67701-03-5
cas number: 63399-94-0
cas number: 7722-21-6
cas number: 37231-04-2
cas number: 67255-22-5
cas number: 45237-51-2
cas number: 8034-57-9
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
iupac name: Heptadecanoic acid @en
pubchem: 10465
smiles: CCCCCCCCCCCCCCCCC(=O)O
inchikey: KEMQGTRYUADPNZ-UHFFFAOYSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: C17azr

2-methyl-2 propenal
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 78-85-3
formula: C4H6O
inchi: InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3
iupac name: 2-methylprop-2-enal @en
pubchem: 6562
smiles: CC(=C)C=O
inchikey: STNJBCKSHOAVAJ-UHFFFAOYSA-N
broader: CHEMONTID_0002436
in scheme: Conceptschema Chemische Stoffen
notation: 2Cy12C3eal

anatoxine-a
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 64285-06-9
formula: C10H15NO
inchi: InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
iupac name: 1-(9-azabicyclo[4.2.1]non-4-en-5-yl)ethanone @en
pubchem: 431734
smiles: CC(=O)C1=CCCC2CCC1N2
inchikey: SGNXVBOIDPPRJJ-UHFFFAOYSA-N
broader: CHEMONTID_0001465
in scheme: Conceptschema Chemische Stoffen
notation: antxna

1-methylnaftaleen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 90-12-0
cas number: 1321-94-4
cas number: 78900-94-4
formula: C11H10
inchi: InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
iupac name: 1-Methylnaphthalene @en
pubchem: 7002
smiles: CC1=CC=CC2=CC=CC=C12
inchikey: QPUYECUOLPXSFR-UHFFFAOYSA-N
alternative label: methylnaftaleen
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 1C1yNaf
notation: C1yNaf

irgarol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 28159-98-0
formula: C11H19N5S
inchi: InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
iupac name: N-tert-butyl-N'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine @en
pubchem: 91590
smiles: CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC
inchikey: HDHLIWCXDDZUFH-UHFFFAOYSA-N
alternative label: cybutryne
alternative label: cybutrine
broader: CHEMONTID_0004735
in scheme: Conceptschema Chemische Stoffen
notation: irgrl

4,5-dichloor-2-methyl-4-isothiazoline-3-on
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 26542-23-4
formula: C4H3Cl2NOS
inchi: InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3
iupac name: 4,5-dichloro-2-methyl-1,2-thiazol-3-one @en
pubchem: 147017
smiles: CN1C(=O)C(=C(S1)Cl)Cl
inchikey: CVZDIUZSWUDGOP-UHFFFAOYSA-N
broader: CHEMONTID_0001030
in scheme: Conceptschema Chemische Stoffen
notation: 45DCl2C1y4it

2,3-dimethylpyridine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 27175-64-0
cas number: 583-61-9
formula: C7H9N
inchi: InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3
iupac name: 2,3-Dimethylpyridine @en
pubchem: 11420
smiles: CC1=C(N=CC=C1)C
inchikey: HPYNZHMRTTWQTB-UHFFFAOYSA-N
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
notation: 23DC1yprdne

maneb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 301-03-1
cas number: 12427-38-2
cas number: 11004-49-2
cas number: 28355-56-8
cas number: 12125-33-6
cas number: 20316-06-7
formula: C4H6MnN2S4
inchi: InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
iupac name: manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en
pubchem: 25553
smiles: C(CN=C(S)[S-])N=C(S)[S-].[Mn+2]
inchikey: YKSNLCVSTHTHJA-UHFFFAOYSA-L
broader: CHEMONTID_0004177
in scheme: Conceptschema Chemische Stoffen
notation: manb

4-methyl-2-pentanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 40747-85-1
cas number: 108-11-2
cas number: 72847-31-5
cas number: 20281-88-3
formula: C6H14O
inchi: InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
iupac name: 4-Methylpentan-2-ol @en
pubchem: 7910
smiles: CC(C)CC(C)O
inchikey: WVYWICLMDOOCFB-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 4C1y2C5ol

1,1,2,2-tetrachloor-1-fluorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 354-14-3
cas number: 134237-32-4
formula: C2HCl4F
inchi: InChI=1S/C2HCl4F/c3-1(4)2(5,6)7/h1H
iupac name: 1,1,2,2-Tetrachloro-1-fluoroethane @en
pubchem: 61105
smiles: C(C(F)(Cl)Cl)(Cl)Cl
inchikey: LUBCGHUOCJOIJA-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK121

1-(2-methoxypropoxy)-2-propanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13429-07-7
cas number: 1321-21-7
formula: C7H16O3
inchi: InChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3
iupac name: 1-(2-Methoxypropoxy)propan-2-ol @en
pubchem: 25982
smiles: CC(COCC(C)OC)O
inchikey: FOLPKOWCPVGUCA-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 12C1oxC3ox2C

4-butoxyfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 122-94-1
formula: C10H14O2
inchi: InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
iupac name: 4-Butoxyphenol @en
pubchem: 31233
smiles: CCCCOC1=CC=C(C=C1)O
inchikey: MBGGFXOXUIDRJD-UHFFFAOYSA-N
broader: CHEMONTID_0004628
in scheme: Conceptschema Chemische Stoffen
notation: 4C4oxFol

1,3-diethyl-1,3-difenylureum
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 85-98-3
formula: C17H20N2O
inchi: InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
iupac name: 1,3-diethyl-1,3-di(phenyl)urea @en
pubchem: 6828
smiles: CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2
inchikey: PZIMIYVOZBTARW-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: 13DC2y13Dfyu

4-n-octylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1806-26-4
cas number: 71902-25-5
formula: C14H22O
inchi: InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
iupac name: 4-OCTYLPHENOL @en
pubchem: 15730
smiles: CCCCCCCCC1=CC=C(C=C1)O
inchikey: NTDQQZYCCIDJRK-UHFFFAOYSA-N
alternative label: octylfenol
broader: CHEMONTID_0004646
in scheme: Conceptschema Chemische Stoffen
notation: 4C8yFol

lincomycine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 154-21-2
cas number: 7179-49-9
formula: C18H37ClN2O7S
inchi: InChI=1S/C18H34N2O6S.ClH.H2O/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H;1H2/t9-,10-,11+,12-,13+,14-,15-,16-,18-;;/m1../s1
iupac name: (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrate hydrochloride @en
pubchem: 71476
inchikey: LFZGYTBWUHCAKF-DCNJEFSFSA-N
broader: CHEMONTID_0004322
in scheme: Conceptschema Chemische Stoffen
notation: lincmcne

tantalium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7440-25-7
formula: Ta
inchi: InChI=1S/Ta
iupac name: TANTALUM @en
pubchem: 23956
smiles: [Ta]
inchikey: GUVRBAGPIYLISA-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ta

rosiglitazon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 122320-73-4
formula: C18H19N3O3S
inchi: InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
iupac name: 5-[[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione @en
pubchem: 77999
inchikey: YASAKCUCGLMORW-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: rosgtzn

2-aminoacetofenon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 551-93-9
cas number: 27941-88-4
formula: C8H9NO
inchi: InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
iupac name: 1-(2-aminophenyl)ethanone @en
pubchem: 11086
smiles: CC(=O)C1=CC=CC=C1N
inchikey: GTDQGKWDWVUKTI-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: 2Aoactfnn

methiocarbsulfon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2179-25-1
formula: C11H15NO4S
inchi: InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13)
iupac name: (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate @en
pubchem: 16589
smiles: CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC
inchikey: RJBJMKAMQIOAML-UHFFFAOYSA-N
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: metocbsfn

2,5-dimethylbenzeenesulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 81789-92-6
cas number: 609-54-1
formula: C8H10O3S
inchi: InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
iupac name: 2,5-DIMETHYLBENZENESULFONIC ACID @en
pubchem: 11868
smiles: CC1=CC(=C(C=C1)C)S(=O)(=O)O
inchikey: IRLYGRLEBKCYPY-UHFFFAOYSA-N
broader: CHEMONTID_0000032
in scheme: Conceptschema Chemische Stoffen
notation: 25DC1yBensfz

silicium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 72516-03-1
cas number: 7803-62-5
cas number: 152284-21-4
cas number: 72516-02-0
cas number: 71536-23-7
cas number: 90337-93-2
cas number: 157383-37-4
cas number: 72516-01-9
cas number: 160371-18-6
cas number: 7440-21-3
cas number: 17375-03-0
formula: Si
inchi: InChI=1S/Si
iupac name: Silicon @en
pubchem: 5461123
smiles: [Si]
inchikey: XUIMIQQOPSSXEZ-UHFFFAOYSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Si

ethoprofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 13194-48-4
formula: C8H19O2PS2
inchi: InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3
pubchem: 3289
smiles: CCCSP(=O)(OCC)SCCC
inchikey: VJYFKVYYMZPMAB-UHFFFAOYSA-N
broader: CHEMONTID_0001438
in scheme: Conceptschema Chemische Stoffen
notation: etpfs

1,1,1-trichloortolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 61878-57-7
cas number: 26601-65-0
cas number: 98-07-7
cas number: 30583-33-6
formula: C7H5Cl3
inchi: InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
iupac name: Trichloromethylbenzene @en
pubchem: 7367
smiles: C1=CC=C(C=C1)C(Cl)(Cl)Cl
inchikey: XEMRAKSQROQPBR-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 111TClTol

magnesiumhydroxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 12195-86-7
cas number: 13760-51-5
cas number: 1309-42-8
cas number: 1317-43-7
formula: H2MgO2
inchi: InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2
iupac name: Magnesium dihydroxide @en
pubchem: 14791
smiles: [OH-].[OH-].[Mg+2]
inchikey: VTHJTEIRLNZDEV-UHFFFAOYSA-L
broader: CHEMONTID_0000677
in scheme: Conceptschema Chemische Stoffen
notation: MgOH2

3,4-dimethylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 95-65-8
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
iupac name: 3,4-Dimethylphenol @en
pubchem: 7249
smiles: CC1=C(C=C(C=C1)O)C
inchikey: YCOXTKKNXUZSKD-UHFFFAOYSA-N
broader: CHEMONTID_0001275
in scheme: Conceptschema Chemische Stoffen
notation: 34DC1yFol

1,2,3-trichloorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 96-18-4
formula: C3H5Cl3
inchi: InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
iupac name: 1,2,3-Trichloropropane @en
pubchem: 7285
smiles: C(C(CCl)Cl)Cl
inchikey: CFXQEHVMCRXUSD-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 123TClC3a

cefalonium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 5575-21-3
formula: C20H18N4O5S2
inchi: InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1
iupac name: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
pubchem: 21743
inchikey: FMZXNVLFJHCSAF-DNVCBOLYSA-N
broader: CHEMONTID_0000173
in scheme: Conceptschema Chemische Stoffen

flunisolide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3385-03-3
formula: C24H31FO6
inchi: InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
iupac name: (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one @en
pubchem: 82153
inchikey: XSFJVAJPIHIPKU-XWCQMRHXSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: flunslde

prednison
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 53-03-2
cas number: 68-59-7
formula: C21H26O5
inchi: InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
iupac name: (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione @en
pubchem: 5865
inchikey: XOFYZVNMUHMLCC-ZPOLXVRWSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: prednsn

flusilazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 96827-34-8
cas number: 85509-19-9
formula: C16H15F2N3Si
inchi: InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3
iupac name: bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane @en
pubchem: 73675
inchikey: FQKUGOMFVDPBIZ-UHFFFAOYSA-N
broader: CHEMONTID_0001100
in scheme: Conceptschema Chemische Stoffen
notation: fluslzl

(1-butyloctyl)-benzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2719-63-3
formula: C18H30
inchi: InChI=1S/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3
iupac name: dodecan-5-ylbenzene @en
pubchem: 17630
smiles: CCCCCCCC(CCCC)C1=CC=CC=C1
inchikey: NPAWGLOPXKCTCV-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 1C4yC8yBen

dibenzo(a,j)antraceen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 224-41-9
formula: C22H14
inchi: InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H
iupac name: pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene @en
pubchem: 9176
inchikey: KLIHYVJAYWCEDM-UHFFFAOYSA-N
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: DBajAnt

4-chloor-2-nitroaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 89-63-4
formula: C6H5ClN2O2
inchi: InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
iupac name: 4-Chloro-2-nitroaniline @en
pubchem: 6979
smiles: C1=CC(=C(C=C1Cl)[N+](=O)[O-])N
inchikey: PBGKNXWGYQPUJK-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl2NO2An

calciumdihydroxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1305-62-0
cas number: 7719-01-9
cas number: 1333-29-5
formula: CaH2O2
inchi: InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2
iupac name: Calcium dihydroxide @en
pubchem: 14777
smiles: [OH-].[OH-].[Ca+2]
inchikey: AXCZMVOFGPJBDE-UHFFFAOYSA-L
broader: CHEMONTID_0000677
in scheme: Conceptschema Chemische Stoffen
notation: CaOH2

lenacil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2164-08-1
formula: C13H18N2O2
inchi: InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
iupac name: 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[e]pyrimidine-2,4-dione @en
pubchem: 16559
smiles: C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O
inchikey: ZTMKADLOSYKWCA-UHFFFAOYSA-N
broader: CHEMONTID_0004161
in scheme: Conceptschema Chemische Stoffen
notation: lencl

methylnitrosoureum
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 684-93-5
cas number: 28606-00-0
cas number: 820-60-0
cas number: 126742-50-5
formula: C2H5N3O2
inchi: InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
iupac name: 1-Methyl-1-nitrosourea @en
pubchem: 12699
smiles: CN(C(=O)N)N=O
inchikey: ZRKWMRDKSOPRRS-UHFFFAOYSA-N
broader: CHEMONTID_0002444
in scheme: Conceptschema Chemische Stoffen
notation: C1yNOurm

dipropylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 142-84-7
formula: C6H15N
inchi: InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3
iupac name: N-propylpropan-1-amine @en
pubchem: 8902
smiles: CCCNCCC
inchikey: WEHWNAOGRSTTBQ-UHFFFAOYSA-N
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: DC3yAe

methylformiaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 107-31-3
formula: C2H4O2
inchi: InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
iupac name: METHYL FORMATE @en
pubchem: 7865
smiles: COC=O
inchikey: TZIHFWKZFHZASV-UHFFFAOYSA-N
alternative label: methylformaat
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: C1yfmt

fosthiazaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 98886-44-3
formula: C9H18NO3PS2
inchi: InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3
iupac name: 3-(butan-2-ylsulfanyl-ethoxyphosphoryl)-1,3-thiazolidin-2-one @en
pubchem: 91758
smiles: CCC(C)SP(=O)(N1CCSC1=O)OCC
inchikey: DUFVKSUJRWYZQP-UHFFFAOYSA-N
broader: CHEMONTID_0000226
in scheme: Conceptschema Chemische Stoffen
notation: fostazt

fenchlorazool-ethyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 103112-35-2
formula: C12H8Cl5N3O2
inchi: InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3
iupac name: ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate @en
pubchem: 3033865
inchikey: GMBRUAIJEFRHFQ-UHFFFAOYSA-N
broader: CHEMONTID_0003314
in scheme: Conceptschema Chemische Stoffen
notation: fecrzlC2y

isoquinoline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 119-65-3
formula: C9H7N
inchi: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
iupac name: Isoquinoline @en
pubchem: 8405
smiles: C1=CC=C2C=NC=CC2=C1
inchikey: AWJUIBRHMBBTKR-UHFFFAOYSA-N
broader: CHEMONTID_0002566
in scheme: Conceptschema Chemische Stoffen
notation: iqnlne

carboxymethylcellulose
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 204336-41-4
cas number: 191616-54-3
cas number: 196886-89-2
cas number: 9000-11-7
cas number: 177317-30-5
formula: C8H16O8
inchi: InChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4)
iupac name: acetic acid; 2,3,4,5,6-pentahydroxyhexanal @en
pubchem: 24748
smiles: CC(=O)O.C(C(C(C(C(C=O)O)O)O)O)O
inchikey: VJHCJDRQFCCTHL-UHFFFAOYSA-N
alternative label: carboxymethylcellulose (CMC)
broader: CHEMONTID_0001498
in scheme: Conceptschema Chemische Stoffen
notation: CMC

1,2-diethoxyethaan (diethylglycol)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 629-14-1
formula: C6H14O2
inchi: InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3
iupac name: 1,2-Diethoxyethane @en
pubchem: 12375
smiles: CCOCCOCC
inchikey: LZDKZFUFMNSQCJ-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 12DC2oxC2a

bisfenol-F
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2467-02-9
formula: C13H12O2
inchi: InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2
iupac name: 2-[(2-hydroxyphenyl)methyl]phenol @en
pubchem: 75575
smiles: C1=CC=C(C(=C1)CC2=CC=CC=C2O)O
inchikey: MQCPOLNSJCWPGT-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: bisFolF

cycluron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2163-69-1
formula: C11H22N2O
inchi: InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)
iupac name: 3-Cyclooctyl-1,1-dimethylurea @en
pubchem: 16554
smiles: CN(C)C(=O)NC1CCCCCCC1
inchikey: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
broader: CHEMONTID_0000517
in scheme: Conceptschema Chemische Stoffen
notation: cycrn

4,8-dioxa-3H-perfluornonaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 919005-14-4
formula: C7H2F12O4
inchi: InChI=1S/C7H2F12O4/c8-1(3(9,10)2(20)21)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19/h1H,(H,20,21)
iupac name: 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid @en
pubchem: 52915299
inchikey: AFDRCEOKCOUICI-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: ADONA

2,4-dichlooraniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 554-00-7
formula: C6H5Cl2N
inchi: InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
iupac name: 2,4-Dichloroaniline @en
pubchem: 11123
smiles: C1=CC(=C(C=C1Cl)Cl)N
inchikey: KQCMTOWTPBNWDB-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 24DClAn

chloorthion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 500-28-7
formula: C8H9ClNO5PS
inchi: InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3
iupac name: (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidenephosphorane @en
pubchem: 10372
smiles: COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl
inchikey: NZNRRXXETLSZRO-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: Clton

nitriet
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14797-65-0
cas number: 12183-96-9
cas number: 114466-53-4
formula: NO2-
inchi: InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
iupac name: NITRITE @en
pubchem: 946
smiles: N(=O)[O-]
inchikey: IOVCWXUNBOPUCH-UHFFFAOYSA-M
is referenced by: CMA 2 IV 4
is referenced by: WAC III C 002
broader: CHEMONTID_0001061
in scheme: Conceptschema Chemische Stoffen
notation: NO2

thiofanox-sulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 39184-59-3
formula: C9H18N2O4S
inchi: InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+
iupac name: [(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate @en
pubchem: 5491760
smiles: CC(C)(C)C(=NOC(=O)NC)CS(=O)(=O)C
inchikey: PZOIECHFNQBYRT-YRNVUSSQSA-N
broader: CHEMONTID_0004752
in scheme: Conceptschema Chemische Stoffen
notation: tofnsfn

1,2,4-trimethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'trimethylbenzeen'
cas number: 95-63-6
cas number: 95-36-3
formula: C9H12
inchi: InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
iupac name: 1,2,4-Trimethylbenzene @en
pubchem: 7247
smiles: CC1=CC(=C(C=C1)C)C
inchikey: GWHJZXXIDMPWGX-UHFFFAOYSA-N
is referenced by: LUC IV 001
is referenced by: LUC IV 011
is referenced by: LUC IV 000
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 124TC1yBen

1,2,3,6,7,8-hexachloordibenzo-p-dioxine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 57653-85-7
formula: C12H2Cl6O2
inchi: InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H
iupac name: 1,2,3,6,7,8-hexachlorooxanthrene @en
pubchem: 42540
inchikey: YCLUIPQDHHPDJJ-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,6,7,8-hexachloordibenzodioxine
alternative label: 1,2,3,6,7,8-hexachloordibenzodioxine (hxcdd)
alternative label: 1,2,3,6,7,8-hexachloordibenzo-para-dioxine
broader: CHEMONTID_0000420
in scheme: Conceptschema Chemische Stoffen
notation: PCDD67

heptenofos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 23560-59-0
cas number: 77107-77-8
formula: C9H12ClO4P
inchi: InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3
iupac name: (6-chloro-7-bicyclo[3.2.0]hepta-3,6-dienyl) dimethyl phosphate @en
pubchem: 62773
smiles: COP(=O)(OC)OC1=C(C2C1CC=C2)Cl
inchikey: GBAWQJNHVWMTLU-UHFFFAOYSA-N
broader: CHEMONTID_0003459
in scheme: Conceptschema Chemische Stoffen
notation: heptnfs

milbemycin A3
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51596-10-2
formula: C31H44O7
inchi: InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1
iupac name: (1R,4S,5'S,6R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one @en
pubchem: 6436638
inchikey: ZLBGSRMUSVULIE-SJRQICMCSA-N
alternative label: milbemycin a3
broader: CHEMONTID_0002902
in scheme: Conceptschema Chemische Stoffen
notation: milbmcA3

strychnine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 57-24-9
formula: C21H22N2O2
inchi: InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
iupac name: (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one @en
pubchem: 441071
inchikey: QMGVPVSNSZLJIA-FVWCLLPLSA-N
broader: CHEMONTID_0002749
in scheme: Conceptschema Chemische Stoffen
notation: strychnne

bismuth 207
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13982-38-2
formula: Bi
inchi: InChI=1S/Bi/i1-2
iupac name: bismuth-207 @en
pubchem: 6335818
smiles: [Bi]
inchikey: JCXGWMGPZLAOME-YPZZEJLDSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Bi207

3,4-methyleendioxyethamfetamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 82801-81-8
cas number: 74341-78-9
formula: C12H18ClNO2
inchi: InChI=1S/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H
iupac name: 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine hydrochloride @en
pubchem: 3057998
smiles: CCNC(C)CC1=CC2=C(C=C1)OCO2.Cl
inchikey: IBDIPBWIXJRJQM-UHFFFAOYSA-N
alternative label: 3,4-Methyleendioxyethamfetamine
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: 34C1yeDoxeaf

2,6-dimethylheptaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1072-05-5
formula: C9H20
inchi: InChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3
iupac name: 2,6-DIMETHYLHEPTANE @en
pubchem: 14069
smiles: CC(C)CCCC(C)C
inchikey: KBPCCVWUMVGXGF-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 26DC1yC7a

2,3-dimethylbutaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 79-29-8
formula: C6H14
inchi: InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
iupac name: 2,3-Dimethylbutane @en
pubchem: 6589
smiles: CC(C)C(C)C
inchikey: ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 23DC1yC4a

ethyl-4,4'-dichloorbenzilaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 510-15-6
formula: C16H14Cl2O3
inchi: InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3
iupac name: ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate @en
pubchem: 10522
inchikey: RAPBNVDSDCTNRC-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: C2y44DClbzlt

sarafloxacine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 91296-87-6
cas number: 98105-99-8
formula: C20H18ClF2N3O3
inchi: InChI=1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H
iupac name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrochloride @en
pubchem: 56207
inchikey: KNWODGJQLCISLC-UHFFFAOYSA-N
broader: CHEMONTID_0002348
in scheme: Conceptschema Chemische Stoffen

proclonol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14088-71-2
formula: C16H14Cl2O
inchi: InChI=1S/C16H14Cl2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2
iupac name: bis(4-chlorophenyl)-cyclopropylmethanol @en
pubchem: 26450
inchikey: BKAYSPSVVJBHHK-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: proclnl

uranium 235
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15117-96-1
formula: U
inchi: InChI=1S/U/i1-3
iupac name: uranium-235 @en
pubchem: 61784
smiles: [U]
inchikey: JFALSRSLKYAFGM-OIOBTWANSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: U235

kaliumbromaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7758-01-2
formula: BrKO3
inchi: InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
iupac name: POTASSIUM BROMATE @en
pubchem: 24444
smiles: [O-]Br(=O)=O.[K+]
inchikey: OCATYIAKPYKMPG-UHFFFAOYSA-M
broader: CHEMONTID_0000631
in scheme: Conceptschema Chemische Stoffen
notation: KBrO3

pentachloorthioanisole
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1825-19-0
formula: C7H3Cl5S
inchi: InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
iupac name: 1,2,3,4,5-pentachloro-6-methylsulfanylbenzene @en
pubchem: 15766
smiles: CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
inchikey: LGZZJTIUEJNNKV-UHFFFAOYSA-N
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
notation: PCTA

dodecaanzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8045-27-0
cas number: 143-07-7
cas number: 7632-48-6
cas number: 203714-07-2
cas number: 8000-62-2
formula: C12H24O2
inchi: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
iupac name: Dodecanoic acid @en
pubchem: 3893
smiles: CCCCCCCCCCCC(=O)O
inchikey: POULHZVOKOAJMA-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: C12azr

dinoseb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 88-85-7
cas number: 152212-20-9
cas number: 39403-80-0
formula: C10H12N2O5
inchi: InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
iupac name: 2-butan-2-yl-4,6-dinitrophenol @en
pubchem: 6950
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
inchikey: OWZPCEFYPSAJFR-UHFFFAOYSA-N
alternative label: 2-sec-butyl-4,6-dinitrofenol
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
notation: Dnsb

calciet
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 63660-97-9
cas number: 146358-95-4
cas number: 13397-26-7
cas number: 114453-69-9
cas number: 172307-27-6
cas number: 1317-65-3
cas number: 39454-55-2
cas number: 72608-12-9
cas number: 471-34-1
cas number: 180616-31-3
cas number: 137803-94-2
cas number: 71060-88-3
cas number: 166516-01-4
cas number: 251358-28-8
cas number: 60083-79-6
formula: CCaO3
inchi: InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
iupac name: Calcium carbonate @en
pubchem: 10112
smiles: C(=O)([O-])[O-].[Ca+2]
inchikey: VTYYLEPIZMXCLO-UHFFFAOYSA-L
alternative label: calciumcarbonaat
broader: CHEMONTID_0001521
in scheme: Conceptschema Chemische Stoffen
notation: CaCO3
notation: calct

paraoxon-methyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 950-35-6
formula: C8H10NO6P
inchi: InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
iupac name: dimethyl (4-nitrophenyl) phosphate @en
pubchem: 13708
smiles: COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
inchikey: BAFQDKPJKOLXFZ-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: paroonC1y

tetryl (ce)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 479-45-8
formula: C7H5N5O8
inchi: InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3
iupac name: N-methyl-N-(2,4,6-trinitrophenyl)nitramide @en
pubchem: 10178
smiles: CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchikey: AGUIVNYEYSCPNI-UHFFFAOYSA-N
alternative label: tetryl (CE)
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: tetl

4-cyaan-1,2,3,4-tetrahydro-alfamethyl-1-naftaleenacetonitril
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 57964-39-3
formula: C14H14N2
inchi: InChI=1S/C14H14N2/c1-10(8-15)12-7-6-11(9-16)13-4-2-3-5-14(12)13/h2-5,10-12H,6-7H2,1H3
iupac name: 4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile @en
pubchem: 154379
smiles: CC(C#N)C1CCC(C2=CC=CC=C12)C#N
inchikey: FDTQTOKRWQJRAC-UHFFFAOYSA-N
broader: CHEMONTID_0000048
in scheme: Conceptschema Chemische Stoffen
notation: 4CN1234T4HaC

methacrylzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 115708-68-4
cas number: 79-41-4
cas number: 463311-95-7
formula: C4H6O2
inchi: InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
iupac name: 2-methylprop-2-enoic acid @en
pubchem: 4093
smiles: CC(=C)C(=O)O
inchikey: CERQOIWHTDAKMF-UHFFFAOYSA-N
broader: CHEMONTID_0001205
in scheme: Conceptschema Chemische Stoffen
notation: metaczr

2,3-dimethylnaftaleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 581-40-8
formula: C12H12
inchi: InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3
iupac name: 2,3-Dimethylnaphthalene @en
pubchem: 11386
smiles: CC1=CC2=CC=CC=C2C=C1C
inchikey: WWGUMAYGTYQSGA-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 23DC1yNaf

pentachlooranisol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1825-21-4
formula: C7H3Cl5O
inchi: InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
iupac name: 1,2,3,4,5-pentachloro-6-methoxybenzene @en
pubchem: 15767
smiles: COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
inchikey: BBABSCYTNHOKOG-UHFFFAOYSA-N
broader: CHEMONTID_0000138
in scheme: Conceptschema Chemische Stoffen
notation: PeClansl

desacetycefapirine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 38115-21-8
formula: C15H15N3O5S2
inchi: InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1
iupac name: (6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid @en
pubchem: 162287
inchikey: IOFHZPVEQXTSQW-BXUZGUMPSA-N
broader: CHEMONTID_0000173
in scheme: Conceptschema Chemische Stoffen

thiamfenicol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15318-45-3
cas number: 90-91-5
cas number: 32430-04-9
cas number: 3785-14-6
cas number: 14786-51-7
formula: C12H15Cl2NO5S
iupac name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide @en
pubchem: 27200
inchikey: OTVAEFIXJLOWRX-NXEZZACHSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen

thiabendazole
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 145316-67-2
cas number: 94977-06-7
cas number: 8028-27-1
cas number: 123242-33-1
cas number: 98002-42-7
cas number: 8018-04-0
cas number: 148-79-8
cas number: 8027-10-9
formula: C10H7N3S
inchi: InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
iupac name: 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE @en
pubchem: 5430
smiles: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
inchikey: WJCNZQLZVWNLKY-UHFFFAOYSA-N
alternative label: thiabendazol
broader: CHEMONTID_0000294
in scheme: Conceptschema Chemische Stoffen
notation: tabdzl

perfluor-2-methoxyazijnzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 674-13-5
formula: C3HF5O3
inchi: InChI=1S/C3HF5O3/c4-2(5,1(9)10)11-3(6,7)8/h(H,9,10)
iupac name: 2,2-difluoro-2-(trifluoromethoxy)acetic acid @en
pubchem: 5125273
smiles: C(=O)(C(OC(F)(F)F)(F)F)O
inchikey: IHYMJUVQLSNPPP-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: PFMOAA

2,2',3,3',4,5',6-heptachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52663-70-4
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)12(5)19)8-10(17)6(14)3-7(15)11(8)18/h1-3H
iupac name: 1,2,4,5-tetrachloro-3-(2,3,4-trichlorophenyl)benzene @en
pubchem: 40477
inchikey: CXOYNJAHPUASHN-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB177

cyromazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 66215-27-8
formula: C6H10N6
inchi: InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
iupac name: N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine @en
pubchem: 47866
smiles: C1CC1NC2=NC(=NC(=N2)N)N
inchikey: LVQDKIWDGQRHTE-UHFFFAOYSA-N
broader: CHEMONTID_0003080
in scheme: Conceptschema Chemische Stoffen
notation: cyrmzne

tripropylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 513-08-6
formula: C9H21O4P
inchi: InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
iupac name: Tripropyl phosphate @en
pubchem: 10546
smiles: CCCOP(=O)(OCCC)OCCC
inchikey: RXPQRKFMDQNODS-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: TC3yPO4

1,4-butaandiamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1071-98-3
cas number: 110-60-1
formula: C4H12N2
inchi: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
iupac name: ['butane-1,4-diamine', 'but-2-ynedinitrile'] @en
pubchem: 1045
smiles: C(CCN)CN
inchikey: KIDHWZJUCRJVML-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: 14C4aDAe

goud 199
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14391-11-8
formula: Au
inchi: InChI=1S/Au/i1+2
iupac name: gold-199 @en
pubchem: 167085
smiles: [Au]
inchikey: PCHJSUWPFVWCPO-NJFSPNSNSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Au199

norflurazon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 27314-13-2
formula: C12H9ClF3N3O
inchi: InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3
iupac name: 4-chloro-5-methylamino-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one @en
pubchem: 33775
inchikey: NVGOPFQZYCNLDU-UHFFFAOYSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: norfrzn

plutonium 239
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15117-48-3
cas number: 97918-67-7
formula: Pu
inchi: InChI=1S/Pu/i1-5
iupac name: plutonium-239 @en
pubchem: 61782
smiles: [Pu]
inchikey: OYEHPCDNVJXUIW-FTXFMUIASA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Pu239

fluthiacet-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 117337-19-6
formula: C15H15ClFN3O3S2
iupac name: methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate @en
pubchem: 93542
inchikey: ZCNQYNHDVRPZIH-UHFFFAOYSA-N
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
notation: flutcC1y

tributylfosfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 126-73-8
cas number: 19824-61-4
cas number: 80094-39-9
cas number: 15158-85-7
formula: C12H27O4P
inchi: InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
iupac name: ['tributoxy-hydroxyphosphanium', 'Tributyl phosphate'] @en
pubchem: 31357
smiles: CCCCOP(=O)(OCCCC)OCCCC
inchikey: STCOOQWBFONSKY-UHFFFAOYSA-N
alternative label: tri-n-butylfosfaat
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: TC4yPO4

2,3,4,7,8-pentachloordibenzofuraan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 57117-31-4
formula: C12H3Cl5O
inchi: InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H
iupac name: 2,3,4,7,8-PENTACHLORODIBENZOFURAN @en
pubchem: 42128
inchikey: OGBQILNBLMPPDP-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 2,3,4,7,8-pentachloordibenzofuraan (pecdf)
alternative label: 2,3,4,7,8-pentachloordibenzofuran
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF114

pyreen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 76165-23-6
cas number: 129-00-0
formula: C16H10
inchi: InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
iupac name: PYRENE @en
pubchem: 31423
smiles: C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
inchikey: BBEAQIROQSPTKN-UHFFFAOYSA-N
is referenced by: LUC VI 001
broader: CHEMONTID_0001851
in scheme: Conceptschema Chemische Stoffen
notation: Pyr

chlorofyl-a
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 479-61-8
formula: C55H72MgN4O5
inchi: InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32?,33?,37-,41-,51?;/m0./s1
iupac name: magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate @en
pubchem: 5280772
inchikey: ATNHDLDRLWWWCB-ZPPYAHEGSA-M
broader: CHEMONTID_0000716
in scheme: Conceptschema Chemische Stoffen
notation: CHLFa

difenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 56481-93-7
cas number: 72931-46-5
cas number: 81846-81-3
cas number: 92-52-4
cas number: 68409-73-4
formula: C12H10
inchi: InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
iupac name: Phenylbenzene @en
pubchem: 7095
smiles: C1=CC=C(C=C1)C2=CC=CC=C2
inchikey: ZUOUZKKEUPVFJK-UHFFFAOYSA-N
alternative label: bifenyl
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: biFy

butylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 104-51-8
cas number: 74296-32-5
formula: C10H14
inchi: InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
iupac name: Butylbenzene @en
pubchem: 7705
smiles: CCCCC1=CC=CC=C1
inchikey: OCKPCBLVNKHBMX-UHFFFAOYSA-N
alternative label: n-butylbenzeen
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: C4yBen

betaxolol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 63659-18-7
formula: C18H29NO3
inchi: InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
iupac name: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
pubchem: 2369
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O
inchikey: NWIUTZDMDHAVTP-UHFFFAOYSA-N
broader: CHEMONTID_0000139
in scheme: Conceptschema Chemische Stoffen
notation: betxll

2,3-xylidine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1300-73-8
cas number: 87-59-2
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3
iupac name: 2,3-Dimethylaniline @en
pubchem: 6893
smiles: CC1=C(C(=CC=C1)N)C
inchikey: VVAKEQGKZNKUSU-UHFFFAOYSA-N
broader: CHEMONTID_0004210
in scheme: Conceptschema Chemische Stoffen
notation: 23xyldne

neon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 36826-26-3
cas number: 7440-01-9
cas number: 12794-67-1
cas number: 71928-15-9
formula: Ne
inchi: InChI=1S/Ne
iupac name: NEON @en
pubchem: 23935
smiles: [Ne]
inchikey: GKAOGPIIYCISHV-UHFFFAOYSA-N
broader: CHEMONTID_0000433
in scheme: Conceptschema Chemische Stoffen
notation: Ne

amfetamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 300-62-9
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
iupac name: 1-phenylpropan-2-amine @en
pubchem: 3007
smiles: CC(CC1=CC=CC=C1)N
inchikey: KWTSXDURSIMDCE-UHFFFAOYSA-N
broader: CHEMONTID_0000188
in scheme: Conceptschema Chemische Stoffen
notation: amfAe

chinonamid
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 27541-88-4
formula: C12H6Cl3NO3
inchi: InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)
iupac name: 2,2-dichloro-N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide @en
pubchem: 94382
inchikey: ZIEWAMOXCOLNSJ-UHFFFAOYSA-N
broader: CHEMONTID_0000153
in scheme: Conceptschema Chemische Stoffen
notation: chinnmd

monolinuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 56449-36-6
cas number: 1746-81-2
formula: C9H11ClN2O2
inchi: InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
iupac name: 3-(4-Chlorophenyl)-1-methoxy-1-methylurea @en
pubchem: 15629
smiles: CN(C(=O)NC1=CC=C(C=C1)Cl)OC
inchikey: LKJPSUCKSLORMF-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: Mlnrn

delta-hexachloorcyclohexaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 319-86-8
formula: C6H6Cl6
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5-,6-
iupac name: (1r,2R,3S,4s,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en
inchikey: JLYXXMFPNIAWKQ-GPIVLXJGSA-N
alternative label: δ-lindaan
alternative label: δ-hexachlorocyclohexaan
broader: CHEMONTID_0004485
in scheme: Conceptschema Chemische Stoffen
notation: dHCH

itraconazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 84625-61-6
cas number: 84604-65-9
formula: C35H38Cl2N8O4
iupac name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one @en
pubchem: 55283
inchikey: VHVPQPYKVGDNFY-ZPGVKDDISA-N
broader: CHEMONTID_0001984
in scheme: Conceptschema Chemische Stoffen

1-butyl 2-octylbenzeen-1,2-dicarboxylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 84-78-6
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3
iupac name: O2-butyl O1-octyl benzene-1,2-dicarboxylate @en
pubchem: 66540
smiles: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
inchikey: MURWRBWZIMXKGC-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: 1C4y2C8yBenz

flutriafol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 87676-93-5
cas number: 76674-21-0
formula: C16H13F2N3O
inchi: InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2
iupac name: 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol @en
pubchem: 91727
inchikey: JWUCHKBSVLQQCO-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: fluTafl

1,2-benzisothiazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 272-16-2
formula: C7H5NS
inchi: InChI=1S/C7H5NS/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
iupac name: 1,2-benzothiazole @en
pubchem: 9225
smiles: C1=CC=C2C(=C1)C=NS2
inchikey: CSNIZNHTOVFARY-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 12Benitazl

trioctyltin (kation)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 869-59-0
formula: C24H51Sn
inchi: InChI=1S/3C8H17.Sn/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3;
iupac name: Tri-n-octyltin Hydride @en
pubchem: 5360423
smiles: CCCCCCCC[Sn](CCCCCCCC)CCCCCCCC
inchikey: XMHKTINRBAKEDS-UHFFFAOYSA-N
broader: CHEMONTID_0004072
in scheme: Conceptschema Chemische Stoffen
notation: TC8ySn

clopidol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68821-99-8
cas number: 11116-46-4
cas number: 2971-90-6
formula: C7H7Cl2NO
inchi: InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
iupac name: 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one @en
pubchem: 18087
smiles: CC1=C(C(=O)C(=C(N1)C)Cl)Cl
inchikey: ZDPIZLCVJAAHHR-UHFFFAOYSA-N
broader: CHEMONTID_0003971
in scheme: Conceptschema Chemische Stoffen
notation: clopdl

prothoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2275-18-5
formula: C9H20NO3PS2
inchi: InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)
iupac name: 2-diethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide @en
pubchem: 16774
smiles: CCOP(=S)(OCC)SCC(=O)NC(C)C
inchikey: QTXHFDHVLBDJIO-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: protat

2,2-dichloorpropionzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 75-99-0
formula: C3H4Cl2O2
inchi: InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
iupac name: 2,2-Dichloropropanoic acid @en
pubchem: 6418
smiles: CC(C(=O)O)(Cl)Cl
inchikey: NDUPDOJHUQKPAG-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: 22DClppozr

technetium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7440-26-8
formula: Tc
inchi: InChI=1S/Tc
iupac name: technetium @en
pubchem: 23957
smiles: [Tc]
inchikey: GKLVYJBZJHMRIY-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Tc

bromaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15541-45-4
formula: BrO3-
inchi: InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1
iupac name: bromate @en
pubchem: 84979
smiles: [O-]Br(=O)=O
inchikey: SXDBWCPKPHAZSM-UHFFFAOYSA-M
broader: CHEMONTID_0001048
in scheme: Conceptschema Chemische Stoffen
notation: BrO3

asulam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3337-71-1
formula: C8H10N2O4S
inchi: InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
iupac name: methyl N-(4-aminophenyl)sulfonylcarbamate @en
pubchem: 18752
smiles: COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
inchikey: VGPYEHKOIGNJKV-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: aslm

transfluthrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 118712-89-3
formula: C15H12Cl2F4O2
iupac name: (2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 656612
inchikey: DDVNRFNDOPPVQJ-HQJQHLMTSA-N
broader: CHEMONTID_0001097
in scheme: Conceptschema Chemische Stoffen
notation: tftn

triazamaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 110895-43-7
cas number: 112143-82-5
formula: C13H22N4O3S
inchi: InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3
iupac name: ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate @en
pubchem: 86306
smiles: CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C
inchikey: NKNFWVNSBIXGLL-UHFFFAOYSA-N
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
notation: Tazmt

isoproturon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 34123-59-6
formula: C12H18N2O
inchi: InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
iupac name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea @en
pubchem: 36679
smiles: CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
inchikey: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: iptrn

levofloxacine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 100986-85-4
cas number: 138199-71-0
formula: C36H42F2N6O9
inchi: InChI=1S/2C18H20FN3O4.H2O/c2*1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h2*7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H2/t2*10-;/m00./s1
iupac name: (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrate @en
pubchem: 3033924
inchikey: SUIQUYDRLGGZOL-RCWTXCDDSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: levfxcne

(+)-delta-cadineen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 483-76-1
formula: C15H24
inchi: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3
iupac name: 4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene @en
pubchem: 10223
smiles: CC1=CC2C(CCC(=C2CC1)C)C(C)C
inchikey: FUCYIEXQVQJBKY-UHFFFAOYSA-N
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: dcadnn

natriumhypochloriet pentahydraat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10022-70-5
formula: ClH10NaO6
inchi: InChI=1S/ClO.Na.5H2O/c1-2;;;;;;/h;;5*1H2/q-1;+1;;;;;
iupac name: Sodium hypochlorite pentahydrate @en
pubchem: 61432
smiles: O.O.O.O.O.[O-]Cl.[Na+]
inchikey: FHKLOBNGYGFRSF-UHFFFAOYSA-N
broader: CHEMONTID_0000640
in scheme: Conceptschema Chemische Stoffen
notation: NaClO5H2O

diethylzuur pyrofosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1707-71-7
cas number: 27194-63-4
formula: C4H12O7P2
inchi: InChI=1S/C4H12O7P2/c1-3-9-12(5,6)11-13(7,8)10-4-2/h3-4H2,1-2H3,(H,5,6)(H,7,8)
iupac name: (ethoxy-hydroxyphosphoryl) ethyl hydrogen phosphate @en
pubchem: 117947
smiles: CCOP(=O)(O)OP(=O)(O)OCC
inchikey: RUZMUTWCUZLWQU-UHFFFAOYSA-N
broader: CHEMONTID_0001804
in scheme: Conceptschema Chemische Stoffen
notation: DC2yzrprPO4

flumioxazin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 141490-50-8
cas number: 103361-09-7
formula: C19H15FN2O4
inchi: InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
iupac name: 2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione @en
pubchem: 92425
inchikey: FOUWCSDKDDHKQP-UHFFFAOYSA-N
broader: CHEMONTID_0001437
in scheme: Conceptschema Chemische Stoffen
notation: flumoxzn

pyrethrin I
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 121-21-1
formula: C21H28O3
inchi: InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1
iupac name: [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 5281045
inchikey: ROVGZAWFACYCSP-VUMXUWRFSA-N
alternative label: pyrethrin i
broader: CHEMONTID_0001724
in scheme: Conceptschema Chemische Stoffen
notation: pyrtnI

prochloraz
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 67747-09-5
cas number: 68444-81-5
formula: C15H16Cl3N3O2
iupac name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide @en
pubchem: 73665
inchikey: TVLSRXXIMLFWEO-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: proClaz

trans-10,11-dihydroxy-10,11-dihydrocarbazepine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 58955-93-4
formula: C15H14N2O3
inchi: InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m0/s1
iupac name: (5S,6S)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide @en
pubchem: 114725
inchikey: PRGQOPPDPVELEG-KBPBESRZSA-N
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: t1011DHOx101

nitrilotriazijnzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 26627-44-1
cas number: 80751-51-5
cas number: 139-13-9
cas number: 49784-42-1
cas number: 26627-45-2
formula: C6H9NO6
inchi: InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
iupac name: 2-(bis(carboxymethyl)amino)acetic acid @en
pubchem: 8758
smiles: C(C(=O)O)N(CC(=O)O)CC(=O)O
inchikey: MGFYIUFZLHCRTH-UHFFFAOYSA-N
alternative label: nitrilotriazijnzuur (NTA)
broader: CHEMONTID_0002404
in scheme: Conceptschema Chemische Stoffen
notation: NTA

flumequine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 42835-25-6
cas number: 143984-63-8
formula: C14H12FNO3
inchi: InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
iupac name: 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid @en
pubchem: 3374
smiles: CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O
inchikey: DPSPPJIUMHPXMA-UHFFFAOYSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: flumqne

propylacetaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 109-60-4
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
iupac name: Propyl acetate @en
pubchem: 7997
smiles: CCCOC(=O)C
inchikey: YKYONYBAUNKHLG-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: C3yactt

polyhexamethyleenbiguanide hydrochloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 27083-27-8
formula: C16H35ClN10
inchi: InChI=1S/C10H18N8.C6H16N2.ClH/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12;7-5-3-1-2-4-6-8;/h1-6H2,(H3,13,15,17)(H3,14,16,18);1-8H2;1H
iupac name: 2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine; hexane-1,6-diamine; hydrochloride @en
pubchem: 168654
smiles: C(CCCN)CCN.C(CCCN=C(N)NC#N)CCN=C(N)NC#N.Cl
inchikey: GGBZCCPSKRKGQB-UHFFFAOYSA-N
broader: CHEMONTID_0000375
in scheme: Conceptschema Chemische Stoffen
notation: PHMBHCl

2,2'-bibenzothiazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4271-09-4
formula: C14H8N2S2
inchi: InChI=1S/C14H8N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8H
iupac name: 2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole @en
pubchem: 350151
smiles: C1=CC=C2C(=C1)N=C(S2)C3=NC4=CC=CC=C4S3
inchikey: YJVXQQKAUCYQIP-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 22bibenztazl

1,3-dihydroxybenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 26982-54-7
cas number: 108-46-3
formula: C6H6O2
inchi: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
iupac name: benzene-1,3-diol @en
pubchem: 5054
smiles: C1=CC(=CC(=C1)O)O
inchikey: GHMLBKRAJCXXBS-UHFFFAOYSA-N
broader: CHEMONTID_0000137
in scheme: Conceptschema Chemische Stoffen
notation: 13DHOxBen

krypton
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 50938-65-3
cas number: 7439-90-9
formula: Kr
inchi: InChI=1S/Kr
iupac name: KRYPTON @en
pubchem: 5416
smiles: [Kr]
inchikey: DNNSSWSSYDEUBZ-UHFFFAOYSA-N
broader: CHEMONTID_0000433
in scheme: Conceptschema Chemische Stoffen
notation: Kr

2,3-dimethylquinoline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1721-89-7
formula: C11H11N
inchi: InChI=1S/C11H11N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-7H,1-2H3
iupac name: 2,3-DIMETHYLQUINOLINE @en
pubchem: 15591
smiles: CC1=CC2=CC=CC=C2N=C1C
inchikey: FBOFHVFMPNNIKN-UHFFFAOYSA-N
broader: CHEMONTID_0001253
in scheme: Conceptschema Chemische Stoffen
notation: 23DC1yqnlne

3-chloor-2-nitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 59483-54-4
formula: C6H5ClN2O2
inchi: InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2
iupac name: 3-Chloro-2-nitroaniline @en
pubchem: 101068
smiles: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])N
inchikey: YADOEPHJIBKBCN-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 3Cl2NO2An

1-hexeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
cas number: 68526-99-8
cas number: 68783-15-3
cas number: 33004-04-5
cas number: 592-41-6
cas number: 153522-12-4
formula: C6H12
inchi: InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
iupac name: hex-1-ene @en
pubchem: 11597
smiles: CCCCC=C
inchikey: LIKMAJRDDDTEIG-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 005
is referenced by: LUC IV 000
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen

desisopropylatrazine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1007-28-9
formula: C5H8ClN5
inchi: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
iupac name: 6-Chloro-N-ethyl-1,3,5-triazine-2,4-diamine @en
pubchem: 13878
smiles: CCNC1=NC(=NC(=N1)N)Cl
inchikey: IVENSCMCQBJAKW-UHFFFAOYSA-N
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
notation: desiC3yatzne

ipconazole
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 125225-28-7
formula: C18H24ClN3O
inchi: InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
iupac name: 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol @en
pubchem: 86211
inchikey: QTYCMDBMOLSEAM-UHFFFAOYSA-N
alternative label: ipconazool
broader: CHEMONTID_0001565
in scheme: Conceptschema Chemische Stoffen
notation: ipcnzl

4-amino-2,6-dinitrotolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 19406-51-0
formula: C7H7N3O4
inchi: InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3
iupac name: 4-methyl-3,5-dinitroaniline @en
pubchem: 29574
smiles: CC1=C(C=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-]
inchikey: KQRJATLINVYHEZ-UHFFFAOYSA-N
broader: CHEMONTID_0003969
in scheme: Conceptschema Chemische Stoffen
notation: 4Ao26DNO2Tol

5,6,7,8-tetrahydro-3-methylquinoline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 28712-62-1
formula: C10H13N
inchi: InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h6-7H,2-5H2,1H3
iupac name: 3-methyl-5,6,7,8-tetrahydroquinoline @en
pubchem: 120028
smiles: CC1=CC2=C(CCCC2)N=C1
inchikey: GMMKZUPOLVXWFF-UHFFFAOYSA-N
broader: CHEMONTID_0001715
in scheme: Conceptschema Chemische Stoffen
notation: 5678T4H3C1yq

propargylalcohol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 107-19-7
formula: C3H4O
inchi: InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2
iupac name: Prop-2-yn-1-ol @en
pubchem: 7859
smiles: C#CCO
inchikey: TVDSBUOJIPERQY-UHFFFAOYSA-N
broader: CHEMONTID_0004478
in scheme: Conceptschema Chemische Stoffen
notation: propgachl

n-fenylformamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 103-70-8
formula: C7H7NO
inchi: InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
iupac name: N-Phenylformamide @en
pubchem: 7671
smiles: C1=CC=C(C=C1)NC=O
inchikey: DYDNPESBYVVLBO-UHFFFAOYSA-N
alternative label: N-fenylformamide
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: NFYfAd

dichloorbroommethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 75-27-4
formula: CHBrCl2
inchi: InChI=1S/CHBrCl2/c2-1(3)4/h1H
iupac name: bromo-dichloromethane @en
pubchem: 6359
smiles: C(Cl)(Cl)Br
inchikey: FMWLUWPQPKEARP-UHFFFAOYSA-N
alternative label: broomdichloormethaan
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: DClBrC1a

2,6-dichloorfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 87-65-0
formula: C6H4Cl2O
inchi: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
iupac name: 2,6-Dichlorophenol @en
pubchem: 6899
smiles: C1=CC(=C(C(=C1)Cl)O)Cl
inchikey: HOLHYSJJBXSLMV-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 26DClFol

praziquantel
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 57452-31-0
cas number: 55268-74-1
cas number: 135526-78-2
formula: C19H24N2O2
inchi: InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2
iupac name: 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin-4-one @en
pubchem: 4891
inchikey: FSVJFNAIGNNGKK-UHFFFAOYSA-N
broader: CHEMONTID_0002955
in scheme: Conceptschema Chemische Stoffen
notation: prazqtl

trifloxystrobin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 221007-60-9
cas number: 141517-21-7
formula: C20H19F3N2O4
inchi: InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18-
iupac name: ['methyl (2Z)-2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate', 'methyl 2-methoxyimino-2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate'] @en
pubchem: 9578570
inchikey: ONCZDRURRATYFI-QTCHDTBASA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: Tfxsbn

lood 210
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14255-04-0
formula: Pb
inchi: InChI=1S/Pb/i1+3
iupac name: lead-210 @en
pubchem: 6328175
smiles: [Pb]
inchikey: WABPQHHGFIMREM-AKLPVKDBSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Pb210

cis-1,2-dichloorpropeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8022-76-2
cas number: 68525-58-6
cas number: 6923-20-2
cas number: 10061-02-6
formula: C3H4Cl2
inchi: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
iupac name: ['(E)-1,3-dichloroprop-1-ene', '1,3-dichloroprop-1-ene'] @en
pubchem: 24726
smiles: C(C=CCl)Cl
inchikey: UOORRWUZONOOLO-OWOJBTEDSA-N
alternative label: trans-1,3-dichloorpropeen
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: t13DClC3e
notation: c12DClC3e

N-(carboxymethyl)-N,N-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 34455-29-3
formula: C15H19F13N2O4S
pubchem: 118691
inchikey: OKOCIUJVPQKDLL-UHFFFAOYSA-N
alternative label: n-(carboxymethyl)-n,n-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide
broader: CHEMONTID_0002404
in scheme: Conceptschema Chemische Stoffen
notation: Capstone B (CDPOS)

hexachloor-biclyclo(2,2,1)-2,5-heptadieen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 28680-44-6
formula: C7H2Cl6
inchi: InChI=1S/C7H2Cl6/c8-2-3(9)7(13)1-6(2,12)4(10)5(7)11/h1H2
iupac name: 1,2,3,4,5,6-hexachlorobicyclo[2.2.1]hepta-2,5-diene @en
pubchem: 3036943
smiles: C1C2(C(=C(C1(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
inchikey: ZKRSTHSWOFIHMZ-UHFFFAOYSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: HxClbcc22125

thiofanaat-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 50814-12-5
cas number: 23564-05-8
formula: C12H14N4O4S2
inchi: InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)
iupac name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate @en
pubchem: 3085
smiles: COC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OC)S)S
inchikey: QGHREAKMXXNCOA-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: tofnC1y

butalbital
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 77-26-9
formula: C11H16N2O3
inchi: InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
iupac name: 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione @en
pubchem: 2481
smiles: CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C
inchikey: UZVHFVZFNXBMQJ-UHFFFAOYSA-N
broader: CHEMONTID_0000292
in scheme: Conceptschema Chemische Stoffen
notation: butbtl

benzo(c)fenantreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 195-19-7
formula: C18H12
inchi: InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H
iupac name: Benzo[c]phenanthrene @en
pubchem: 9136
smiles: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3
inchikey: TUAHORSUHVUKBD-UHFFFAOYSA-N
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: BcFen

swep
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1918-18-9
formula: C8H7Cl2NO2
inchi: InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
iupac name: Methyl N-(3,4-dichlorophenyl)carbamate @en
pubchem: 15969
smiles: COC(=O)NC1=CC(=C(C=C1)Cl)Cl
inchikey: WOZQBERUBLYCEG-UHFFFAOYSA-N
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
notation: swep

squaleen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7683-64-9
cas number: 111-02-4
cas number: 94016-35-0
formula: C30H50
inchi: InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
iupac name: ['2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene', '(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene', '(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene'] @en
pubchem: 638072
inchikey: YYGNTYWPHWGJRM-AAJYLUCBSA-N
broader: CHEMONTID_0001553
in scheme: Conceptschema Chemische Stoffen
notation: squaln

ethylmethacrylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 97-63-2
cas number: 187170-02-1
cas number: 128440-92-6
cas number: 61584-93-8
cas number: 137431-11-9
cas number: 179799-95-2
cas number: 133775-64-1
cas number: 9003-42-3
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3
iupac name: ethyl 2-methylprop-2-enoate @en
pubchem: 7343
smiles: CCOC(=O)C(=C)C
inchikey: SUPCQIBBMFXVTL-UHFFFAOYSA-N
alternative label: ethylmetacrylaat
broader: CHEMONTID_0003626
in scheme: Conceptschema Chemische Stoffen
notation: C2ymtclt

perfluor-n-undecaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2058-94-8
formula: C11HF21O2
inchi: InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acid @en
pubchem: 77222
inchikey: SIDINRCMMRKXGQ-UHFFFAOYSA-N
alternative label: perfluorundecaanzuur
alternative label: perfluorundecaanzuur (pfunda)
alternative label: perfluor-n-undecaanzuur (pfunda)
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFUdA
notation: PFUnDA

2,5-dichloortolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 19398-61-9
formula: C7H6Cl2
inchi: InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
iupac name: 1,4-dichloro-2-methylbenzene @en
pubchem: 29572
smiles: CC1=C(C=CC(=C1)Cl)Cl
inchikey: KFAKZJUYBOYVKA-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 25DClTol

2-methoxyethanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 4.4.2
cas number: 193008-24-1
cas number: 72664-19-8
cas number: 189209-93-6
cas number: 138753-86-3
cas number: 207799-14-2
cas number: 102868-77-9
cas number: 134919-42-9
cas number: 163733-28-6
cas number: 57244-93-6
cas number: 158360-78-2
cas number: 86002-19-9
cas number: 212969-32-9
cas number: 54386-07-1
cas number: 69592-91-2
cas number: 142172-77-8
cas number: 163294-10-8
cas number: 104841-59-0
cas number: 166441-82-3
cas number: 195970-98-0
cas number: 64543-87-9
cas number: 9004-74-4
cas number: 165338-17-0
cas number: 109-86-4
cas number: 146162-92-7
cas number: 154701-70-9
cas number: 91826-72-1
cas number: 95507-78-1
cas number: 126966-17-4
cas number: 95507-80-5
cas number: 12623-96-0
cas number: 77102-87-5
cas number: 187523-66-6
cas number: 41396-14-9
cas number: 185250-24-2
cas number: 154885-26-4
cas number: 162582-19-6
cas number: 178613-33-7
cas number: 216693-45-7
formula: C3H8O2
inchi: InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
iupac name: 2-Methoxyethanol @en
pubchem: 8019
smiles: COCCO
inchikey: XNWFRZJHXBZDAG-UHFFFAOYSA-N
is referenced by: LUC IV 003
is referenced by: LUC IV 000
is referenced by: LUC IV 012
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 2C1oxC2ol

diglycidyl resorcinol ether (dgre)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 168331-52-0
cas number: 101-90-6
formula: C12H14O4
inchi: InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2
iupac name: 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane @en
pubchem: 7586
smiles: C1C(O1)COC2=CC(=CC=C2)OCC3CO3
inchikey: WPYCRFCQABTEKC-UHFFFAOYSA-N
alternative label: diglycidyl resorcinol ether (DGRE)
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: DGRE

gestodeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 60282-87-3
formula: C21H26O2
inchi: InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16?,17?,18?,19?,20?,21-/m0/s1
iupac name: (17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 43249
smiles: CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34
inchikey: SIGSPDASOTUPFS-KQMXEUTGSA-N
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
notation: gesdn

zirkonium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 141631-77-8
cas number: 7440-67-7
cas number: 141631-75-6
cas number: 182260-46-4
cas number: 141631-74-5
formula: Zr
inchi: InChI=1S/Zr
iupac name: ZIRCONIUM @en
pubchem: 23995
smiles: [Zr]
inchikey: QCWXUUIWCKQGHC-UHFFFAOYSA-N
is referenced by: CMA 2 I B.1
is referenced by: WAC III B 010
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Zr

fluconazol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 86386-73-4
formula: C13H12F2N6O
inchi: InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
iupac name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol @en
pubchem: 3365
inchikey: RFHAOTPXVQNOHP-UHFFFAOYSA-N
broader: CHEMONTID_0001100
in scheme: Conceptschema Chemische Stoffen
notation: flucnzl

tetradecaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 45184-05-2
cas number: 544-63-8
cas number: 32112-52-0
formula: C14H28O2
inchi: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
iupac name: Tetradecanoic acid @en
pubchem: 11005
smiles: CCCCCCCCCCCCCC(=O)O
inchikey: TUNFSRHWOTWDNC-UHFFFAOYSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: C14azr

fludioxonil
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 131341-86-1
formula: C12H6F2N2O2
inchi: InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H
iupac name: 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile @en
pubchem: 86398
smiles: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N
inchikey: MUJOIMFVNIBMKC-UHFFFAOYSA-N
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: fludoxnl

2-methylpropylhexadecanoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 110-34-9
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3
iupac name: 2-Methylpropyl hexadecanoate @en
pubchem: 66967
smiles: CCCCCCCCCCCCCCCC(=O)OCC(C)C
inchikey: OJIBJRXMHVZPLV-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC3yC16ao

tetracosaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 557-59-5
formula: C24H48O2
iupac name: Tetracosanoic acid @en
pubchem: 11197
smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
inchikey: QZZGJDVWLFXDLK-UHFFFAOYSA-N
broader: CHEMONTID_0002950
in scheme: Conceptschema Chemische Stoffen
notation: C24azr

diclofenac, natrium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 15307-79-6
formula: C14H10Cl2NNaO2
inchi: InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
iupac name: sodium 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate @en
pubchem: 27194
smiles: C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]
inchikey: KPHWPUGNDIVLNH-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen

monalide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7287-36-7
formula: C13H18ClNO
inchi: InChI=1S/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)
iupac name: N-(4-Chlorophenyl)-2,2-dimethylpentanamide @en
pubchem: 23715
smiles: CCCC(C)(C)C(=O)NC1=CC=C(C=C1)Cl
inchikey: KXGYBSNVFXBPNO-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: monlde

sulfaminezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 5329-14-6
formula: H3NO3S
inchi: InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
iupac name: Sulfamic acid @en
pubchem: 5987
smiles: NS(=O)(=O)O
inchikey: IIACRCGMVDHOTQ-UHFFFAOYSA-N
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen
notation: sulfAezr

2,2',5,5'-tetramethyl-1,1'-bifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3075-84-1
formula: C16H18
inchi: InChI=1S/C16H18/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3
iupac name: 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene @en
pubchem: 137818
smiles: CC1=CC(=C(C=C1)C)C2=C(C=CC(=C2)C)C
inchikey: ZHTROMYSDSTCCE-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: 2255T4C1y11b

strontium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7440-24-6
formula: Sr
inchi: InChI=1S/Sr
iupac name: STRONTIUM @en
pubchem: 5359327
smiles: [Sr]
inchikey: CIOAGBVUUVVLOB-UHFFFAOYSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Sr

dibenzylftalaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 523-31-9
formula: C22H18O4
inchi: InChI=1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2
iupac name: bis(phenylmethyl) benzene-1,2-dicarboxylate @en
pubchem: 220773
inchikey: UCVPKAZCQPRWAY-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DbzFt

acrylamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 79-06-1
cas number: 9003-05-8
formula: C3H5NO
inchi: InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
iupac name: prop-2-enamide @en
pubchem: 6579
smiles: C=CC(=O)N
inchikey: HRPVXLWXLXDGHG-UHFFFAOYSA-N
broader: CHEMONTID_0002484
in scheme: Conceptschema Chemische Stoffen
notation: acAd

azobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1080-16-6
cas number: 103-33-3
cas number: 17082-12-1
formula: C12H10N2
inchi: InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
iupac name: di(phenyl)diazene @en
pubchem: 2272
smiles: C1=CC=C(C=C1)N=NC2=CC=CC=C2
inchikey: DMLAVOWQYNRWNQ-UHFFFAOYSA-N
broader: CHEMONTID_0003370
in scheme: Conceptschema Chemische Stoffen
notation: azBen

3-chloor-2-methylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 87-60-5
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
iupac name: 3-Chloro-2-methylaniline @en
pubchem: 6894
smiles: CC1=C(C=CC=C1Cl)N
inchikey: ZUVPLKVDZNDZCM-UHFFFAOYSA-N
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 3Cl2C1yAn

ftalimide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 85-41-6
formula: C8H5NO2
inchi: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
iupac name: Isoindole-1,3-dione @en
pubchem: 6809
smiles: C1=CC=C2C(=C1)C(=O)NC2=O
inchikey: XKJCHHZQLQNZHY-UHFFFAOYSA-N
broader: CHEMONTID_0004749
in scheme: Conceptschema Chemische Stoffen
notation: ftalmde

octylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 112-14-1
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
iupac name: Octyl acetate @en
pubchem: 8164
smiles: CCCCCCCCOC(=O)C
inchikey: YLYBTZIQSIBWLI-UHFFFAOYSA-N
broader: CHEMONTID_0001722
in scheme: Conceptschema Chemische Stoffen
notation: C8yactt

valsartan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 137862-53-4
formula: C24H29N5O3
inchi: InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
iupac name: (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid @en
pubchem: 60846
inchikey: ACWBQPMHZXGDFX-QFIPXVFZSA-N
broader: CHEMONTID_0004310
in scheme: Conceptschema Chemische Stoffen
notation: valstan

tylosine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1401-69-0
formula: C46H77NO17
inchi: InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
iupac name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde @en
pubchem: 5280440
inchikey: WBPYTXDJUQJLPQ-VMXQISHHSA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: tylsne

carbamazepine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 298-46-4
formula: C15H12N2O
inchi: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
iupac name: benzo[b][1]benzazepine-11-carboxamide @en
pubchem: 2554
smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
inchikey: FFGPTBGBLSHEPO-UHFFFAOYSA-N
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: carbmzpne

polyacrylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 39301-03-6
cas number: 88402-97-5
cas number: 83856-16-0
cas number: 25549-84-2
cas number: 162122-62-5
cas number: 65852-60-0
cas number: 87912-58-1
cas number: 74434-55-2
cas number: 183599-07-7
cas number: 124740-94-9
cas number: 88895-33-4
cas number: 67167-12-8
cas number: 87210-28-4
cas number: 65852-59-7
cas number: 7446-81-3
cas number: 72870-55-4
cas number: 136753-34-9
cas number: 8049-78-3
cas number: 95077-68-2
cas number: 100359-37-3
cas number: 105287-10-3
cas number: 9003-04-7
cas number: 170427-67-5
cas number: 114355-16-7
cas number: 76559-77-8
cas number: 56048-09-0
cas number: 9080-35-7
cas number: 199453-47-9
cas number: 39283-05-1
cas number: 123140-08-9
cas number: 75718-67-1
cas number: 126123-84-0
cas number: 129979-04-0
cas number: 135842-81-8
cas number: 28603-11-4
cas number: 113536-69-9
cas number: 77847-76-8
cas number: 44196-70-5
cas number: 63993-69-1
cas number: 25052-79-3
cas number: 9003-01-4
cas number: 64441-46-9
cas number: 67017-21-4
cas number: 138961-78-1
formula: C3H3NaO2
inchi: InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1
iupac name: sodium prop-2-enoate @en
pubchem: 24013
smiles: C=CC(=O)[O-].[Na+]
inchikey: NNMHYFLPFNGQFZ-UHFFFAOYSA-M
broader: CHEMONTID_0004451
in scheme: Conceptschema Chemische Stoffen
notation: polaclt

1,2,4-triazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 116421-29-5
cas number: 288-88-0
cas number: 288-89-1
cas number: 63598-71-0
cas number: 25167-73-1
cas number: 27236-77-7
formula: C2H3N3
inchi: InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
iupac name: 1H-1,2,4-Triazole @en
pubchem: 9257
smiles: C1=NC=NN1
inchikey: NSPMIYGKQJPBQR-UHFFFAOYSA-N
broader: CHEMONTID_0000099
in scheme: Conceptschema Chemische Stoffen
notation: 124Tazl

hexadecaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 67701-02-4
cas number: 212625-86-0
cas number: 57-10-3
cas number: 60605-23-4
cas number: 116860-99-2
cas number: 66321-94-6
formula: C16H32O2
inchi: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
iupac name: Hexadecanoic acid @en
pubchem: 985
smiles: CCCCCCCCCCCCCCCC(=O)O
inchikey: IPCSVZSSVZVIGE-UHFFFAOYSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: C16azr

flurenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 467-69-6
formula: C14H10O3
inchi: InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)
iupac name: 9-Hydroxyfluorene-9-carboxylic acid @en
pubchem: 10087
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O
inchikey: GXAMYUGOODKVRM-UHFFFAOYSA-N
broader: CHEMONTID_0000020
in scheme: Conceptschema Chemische Stoffen
notation: flurnl

glyceroltrioctanoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 538-23-8
cas number: 114355-15-6
formula: C27H50O6
inchi: InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
iupac name: 2,3-di(octanoyloxy)propyl octanoate @en
pubchem: 10850
inchikey: VLPFTAMPNXLGLX-UHFFFAOYSA-N
broader: CHEMONTID_0001135
in scheme: Conceptschema Chemische Stoffen
notation: glycrTocnat

2,5-dimethylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 145929-31-3
cas number: 50356-12-2
cas number: 95-87-4
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
iupac name: 2,5-Dimethylphenol @en
pubchem: 7267
smiles: CC1=CC(=C(C=C1)C)O
inchikey: NKTOLZVEWDHZMU-UHFFFAOYSA-N
broader: CHEMONTID_0004215
in scheme: Conceptschema Chemische Stoffen
notation: 25DC1yFol

(1S)-kamfer
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 464-48-2
formula: C10H16O
inchi: InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7?,10-/m1/s1
iupac name: (1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one @en
pubchem: 10050
smiles: CC1(C2CCC1(C(=O)C2)C)C
inchikey: DSSYKIVIOFKYAU-OMNKOJBGSA-N
alternative label: (1s)-kamfer
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
notation: 1skamfr

merfos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 150-50-5
formula: C12H27PS3
inchi: InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
iupac name: tris(butylsulfanyl)phosphane @en
pubchem: 9011
smiles: CCCCSP(SCCCC)SCCCC
inchikey: KLAPGAOQRZTCBI-UHFFFAOYSA-N
broader: CHEMONTID_0001438
in scheme: Conceptschema Chemische Stoffen
notation: merfs

triazoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 72459-58-6
formula: C10H6ClN5O
inchi: InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H
iupac name: 7-chloro-3-imidazol-1-yl-1-oxido-1,2,4-benzotriazin-1-ium @en
pubchem: 93422
smiles: C1=CC2=C(C=C1Cl)[N+](=NC(=N2)N3C=CN=C3)[O-]
inchikey: IQGKIPDJXCAMSM-UHFFFAOYSA-N
broader: CHEMONTID_0004107
in scheme: Conceptschema Chemische Stoffen
notation: TazO

1,1,1,2-tetrachloor-2-fluorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 354-11-0
formula: C2HCl4F
inchi: InChI=1S/C2HCl4F/c3-1(7)2(4,5)6/h1H
iupac name: 1,1,1,2-Tetrachloro-2-fluoroethane @en
pubchem: 61104
smiles: C(C(Cl)(Cl)Cl)(F)Cl
inchikey: SRCNPEKLEHSVCL-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK121a

farnesol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 106-28-5
cas number: 4602-84-0
formula: C15H26O
inchi: InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
iupac name: ['3,7,11-trimethyldodeca-2,6,10-trien-1-ol', '(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol'] @en
pubchem: 445070
smiles: CC(=CCCC(=CCCC(=CCO)C)C)C
inchikey: CRDAMVZIKSXKFV-YFVJMOTDSA-N
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: farnsl

dihydrostreptomycine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 128-46-1
formula: C21H41N7O12
inchi: InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s1
iupac name: 2-[(1R,2S,3S,4R,5S,6S)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine @en
pubchem: 6602480
inchikey: ASXBYYWOLISCLQ-ZCTIVXDHSA-N
broader: CHEMONTID_0001675
in scheme: Conceptschema Chemische Stoffen
notation: DHstreptmcne

fluorantheen (b)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 206-44-0
cas number: 76774-50-0
formula: C16H10
inchi: InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
iupac name: FLUORANTHENE @en
pubchem: 9154
smiles: C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4
inchikey: GVEPBJHOBDJJJI-UHFFFAOYSA-N
is referenced by: LUC VI 001
alternative label: fluoranteen
alternative label: fluorantheen
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: Flu

acrylaldehyde
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 107-02-8
cas number: 25068-14-8
cas number: 25314-61-8
formula: C3H4O
inchi: InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
iupac name: prop-2-enal @en
pubchem: 7847
smiles: C=CC=O
inchikey: HGINCPLSRVDWNT-UHFFFAOYSA-N
alternative label: acroleïne
broader: CHEMONTID_0002436
in scheme: Conceptschema Chemische Stoffen
notation: acAh

paraquat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4685-14-7
cas number: 116047-10-0
formula: C12H14N2+2
inchi: InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
iupac name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium @en
pubchem: 15939
smiles: C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C
inchikey: INFDPOAKFNIJBF-UHFFFAOYSA-N
broader: CHEMONTID_0000326
in scheme: Conceptschema Chemische Stoffen
notation: parqt

fenvaleraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 131641-62-8
cas number: 67614-33-9
cas number: 51630-58-1
cas number: 67614-32-8
cas number: 66267-77-4
formula: C25H22ClNO3
inchi: InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methylbutanoate @en
pubchem: 3347
smiles: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
inchikey: NYPJDWWKZLNGGM-UHFFFAOYSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: fenvlrt

cyanofenfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 34460-46-3
cas number: 13067-93-1
cas number: 62421-62-9
cas number: 62421-63-0
cas number: 62421-61-8
formula: C15H14NO2PS
inchi: InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3
iupac name: 4-(ethoxy-phenylphosphinothioyl)oxybenzonitrile @en
pubchem: 25669
smiles: CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)C#N
inchikey: LRNJHZNPJSPMGK-UHFFFAOYSA-N
broader: CHEMONTID_0004767
in scheme: Conceptschema Chemische Stoffen
notation: cyanffs

chryseen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 65777-08-4
cas number: 218-01-9
cas number: 27274-05-1
formula: C18H12
inchi: InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
iupac name: Chrysene @en
pubchem: 9171
smiles: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
inchikey: WDECIBYCCFPHNR-UHFFFAOYSA-N
is referenced by: LUC VI 001
broader: CHEMONTID_0001142
in scheme: Conceptschema Chemische Stoffen
notation: Chr

orfenadrine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 83-98-7
formula: C18H23NO
inchi: InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
iupac name: N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine @en
pubchem: 4601
smiles: CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C
inchikey: QVYRGXJJSLMXQH-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: orfadne

cyproheptadine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 129-03-3
formula: C21H21N
inchi: InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
iupac name: 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine @en
pubchem: 2913
inchikey: JJCFRYNCJDLXIK-UHFFFAOYSA-N
broader: CHEMONTID_0000019
in scheme: Conceptschema Chemische Stoffen
notation: cypHpdne

ferbam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14484-64-1
cas number: 64070-92-4
cas number: 21696-59-3
cas number: 301-05-3
cas number: 13494-27-4
formula: C9H18FeN3S6
inchi: InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
iupac name: dimethylaminomethanedithioate; iron(+3) cation @en
pubchem: 26710
smiles: CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
inchikey: WHDGWKAJBYRJJL-UHFFFAOYSA-K
broader: CHEMONTID_0003997
in scheme: Conceptschema Chemische Stoffen
notation: ferbm

d-carvon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2244-16-8
cas number: 53763-73-8
formula: C10H14O
inchi: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
iupac name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one @en
pubchem: 16724
smiles: CC1=CCC(CC1=O)C(=C)C
inchikey: ULDHMXUKGWMISQ-VIFPVBQESA-N
broader: CHEMONTID_0001401
in scheme: Conceptschema Chemische Stoffen
notation: dcarvn

indometacine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 37242-43-6
cas number: 53-86-1
cas number: 91853-74-6
formula: C19H16ClNO4
inchi: InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
iupac name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid @en
pubchem: 3715
inchikey: CGIGDMFJXJATDK-UHFFFAOYSA-N
broader: CHEMONTID_0001753
in scheme: Conceptschema Chemische Stoffen
notation: indmtcne

cis-5,8,11,14-eicosatertaeenzuur ethylester
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1808-26-0
formula: C22H36O2
iupac name: ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate @en
pubchem: 5367369
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC
inchikey: SNXPWYFWAZVIAU-GKFVBPDJSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: cC20aTzrC2y

1-ethyl-1-nitrosourea
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2151-05-5
cas number: 759-73-9
formula: C3H7N3O2
inchi: InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
iupac name: 1-Ethyl-1-nitrosourea @en
pubchem: 12967
smiles: CCN(C(=O)N)N=O
inchikey: FUSGACRLAFQQRL-UHFFFAOYSA-N
broader: CHEMONTID_0001229
in scheme: Conceptschema Chemische Stoffen
notation: 1C2y1NO2sura

3,3'-(ethyleendioxy)dipropiononitril
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3386-87-6
formula: C8H12N2O2
inchi: InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2
iupac name: 3-[2-(2-cyanoethoxy)ethoxy]propanenitrile @en
pubchem: 76921
smiles: C(COCCOCCC#N)C#N
inchikey: VTHRQKSLPFJQHN-UHFFFAOYSA-N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: 33C2yeDoxDpp

4-ethylheptaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2216-32-2
formula: C9H20
inchi: InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3
iupac name: 4-ETHYLHEPTANE @en
pubchem: 16663
smiles: CCCC(CC)CCC
inchikey: XMROPFQWHHUFFS-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 4C2yC7a

ijzer (tweewaardig)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15438-31-0
formula: Fe+2
inchi: InChI=1S/Fe/q+2
iupac name: iron(+2) cation @en
pubchem: 27284
smiles: [Fe+2]
inchikey: CWYNVVGOOAEACU-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: FeII

cyfenothrin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 39515-40-7
formula: C24H25NO3
inchi: InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 38283
smiles: CC(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
inchikey: FJDPATXIBIBRIM-UHFFFAOYSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: cyfntn

perfluor-3-7-dimethyloctaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 172155-07-6
formula: C10HF19O2
inchi: InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h(H,30,31)
iupac name: 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)octanoic acid @en
pubchem: 2776093
inchikey: KZUSAXRVIONPJU-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: P37DMOA

maprotiline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 10262-69-8
formula: C20H23N
inchi: InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
iupac name: N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine @en
pubchem: 4011
smiles: CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
inchikey: QSLMDECMDJKHMQ-UHFFFAOYSA-N
broader: CHEMONTID_0000018
in scheme: Conceptschema Chemische Stoffen
notation: maptlne

fexofenadine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 83799-24-0
cas number: 159389-12-5
cas number: 76815-58-2
formula: C32H39NO4
inchi: InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
iupac name: 2-[4-[1-hydroxy-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid @en
pubchem: 3348
inchikey: RWTNPBWLLIMQHL-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: fexfndne

2,4,4',5-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 32690-93-0
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-11(15)12(16)6-10(9)14/h1-6H
iupac name: 1,2,4-trichloro-5-(4-chlorophenyl)benzene @en
pubchem: 36218
smiles: C1=CC(=CC=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl
inchikey: TULCXSBAPHCWCF-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB74

2-nitrodifenylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 119-75-5
formula: C12H10N2O2
inchi: InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
iupac name: ['N-hydroxy-2-(phenylamino)benzeneamine oxide', 'N-oxido-N-[2-(phenylamino)phenyl]hydroxylamine', '2-Nitro-N-phenylaniline'] @en
pubchem: 8407
smiles: C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]
inchikey: RUKISNQKOIKZGT-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 2NO2DFyAe

fenamifos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 22224-92-6
formula: C13H22NO3PS
inchi: InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)
iupac name: N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]propan-2-amine @en
pubchem: 31070
smiles: CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C
inchikey: ZCJPOPBZHLUFHF-UHFFFAOYSA-N
broader: CHEMONTID_0004742
in scheme: Conceptschema Chemische Stoffen
notation: fenamfs

fenpiclonil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 74738-17-3
formula: C11H6Cl2N2
inchi: InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H
iupac name: 4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile @en
pubchem: 91724
smiles: C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N
inchikey: FKLFBQCQQYDUAM-UHFFFAOYSA-N
broader: CHEMONTID_0002334
in scheme: Conceptschema Chemische Stoffen
notation: fenpcnl

heptaanzuur methylester
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 106-73-0
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
iupac name: METHYL HEPTANOATE @en
pubchem: 7826
smiles: CCCCCCC(=O)OC
inchikey: XNCNNDVCAUWAIT-UHFFFAOYSA-N
broader: CHEMONTID_0003417
in scheme: Conceptschema Chemische Stoffen
notation: C7azrC1yEsr

ethylpirimifos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 23505-41-1
formula: C13H24N3O3PS
inchi: InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3
iupac name: 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine @en
pubchem: 31957
smiles: CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C
inchikey: TZBPRYIIJAJUOY-UHFFFAOYSA-N
broader: CHEMONTID_0004771
in scheme: Conceptschema Chemische Stoffen
notation: C2yprmfs

o-chlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 27134-26-5
cas number: 95-51-2
formula: C6H6ClN
inchi: InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
iupac name: 2-Chloroaniline @en
pubchem: 7240
smiles: C1=CC=C(C(=C1)N)Cl
inchikey: AKCRQHGQIJBRMN-UHFFFAOYSA-N
alternative label: 2-chlooraniline
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 2ClAn

di-n-butylether
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II bijl. 4.4.2 'dibutylether'
cas number: 142-96-1
formula: C8H18O
inchi: InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
iupac name: 1-Butoxybutane @en
pubchem: 8909
smiles: CCCCOCCCC
inchikey: DURPTKYDGMDSBL-UHFFFAOYSA-N
is referenced by: LUC IV 008
is referenced by: LUC IV 011
is referenced by: LUC IV 000
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen

cinoxacine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 28657-80-9
formula: C12H10N2O5
inchi: InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
iupac name: 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid @en
pubchem: 2762
smiles: CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3
inchikey: VDUWPHTZYNWKRN-UHFFFAOYSA-N
broader: CHEMONTID_0000206
in scheme: Conceptschema Chemische Stoffen

chlooracetonitril
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 107-14-2
cas number: 1867-10-3
formula: C2H2ClN
inchi: InChI=1S/C2H2ClN/c3-1-2-4/h1H2
iupac name: 2-Chloroacetonitrile @en
pubchem: 7856
smiles: C(C#N)Cl
inchikey: RENMDAKOXSCIGH-UHFFFAOYSA-N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: Clactntl

2,3,4-trimethyl-2-penteen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 61665-19-8
cas number: 565-77-5
formula: C8H16
inchi: InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6H,1-5H3
iupac name: 2,3,4-trimethylpent-2-ene @en
pubchem: 11270
smiles: CC(C)C(=C(C)C)C
inchikey: SZFRZEBLZFTODC-UHFFFAOYSA-N
alternative label: 2,3,4-Trimethyl-2-penteen
broader: CHEMONTID_0004622
in scheme: Conceptschema Chemische Stoffen
notation: 234TC1y2C5e

nonylfenoltriethoxylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 27176-95-0
formula: C21H36O4
inchi: InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-11-20-12-9-10-13-21(20)25-19-18-24-17-16-23-15-14-22/h9-10,12-13,22H,2-8,11,14-19H2,1H3
iupac name: 2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethanol @en
pubchem: 176451
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCO
inchikey: GDSSTYXBZTUGSJ-UHFFFAOYSA-N
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen
notation: NPEO3

trichloorethanal
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 75-87-6
formula: C2HCl3O
inchi: InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
iupac name: 2,2,2-Trichloroacetaldehyde @en
pubchem: 6407
smiles: C(=O)C(Cl)(Cl)Cl
inchikey: HFFLGKNGCAIQMO-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: TClC2al

dicloxacilline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3116-76-5
cas number: 13412-64-1
formula: C19H18Cl2N3NaO6S
iupac name: sodium (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate @en
pubchem: 25962
inchikey: SIGZQNJITOWQEF-VICXVTCVSA-M
broader: CHEMONTID_0001189
in scheme: Conceptschema Chemische Stoffen
notation: Dcloxclne

2-methoxyaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 29191-52-4
cas number: 90-04-0
formula: C7H9NO
inchi: InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
iupac name: 2-Methoxyaniline @en
pubchem: 7000
smiles: COC1=CC=CC=C1N
inchikey: VMPITZXILSNTON-UHFFFAOYSA-N
broader: CHEMONTID_0004670
in scheme: Conceptschema Chemische Stoffen
notation: 2C1oxAn

seleen 75
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14265-71-5
formula: Se
inchi: InChI=1S/Se/i1-4
iupac name: selenium-75 @en
pubchem: 6328176
smiles: [Se]
inchikey: BUGBHKTXTAQXES-AHCXROLUSA-N
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen
notation: Se75

dodecyltrimethylammoniumchloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 71061-07-9
cas number: 10182-91-9
cas number: 112-00-5
cas number: 59680-23-8
cas number: 37293-08-6
cas number: 37380-56-6
cas number: 108779-79-9
cas number: 62395-69-1
formula: C15H34ClN
inchi: InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
iupac name: dodecyl-trimethylazanium chloride @en
pubchem: 8152
smiles: CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
inchikey: DDXLVDQZPFLQMZ-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: C12ylTC1ylNH

dichlofenthion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 11137-49-8
cas number: 97-17-6
formula: C10H13Cl2O3PS
iupac name: (2,4-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane @en
pubchem: 7328
smiles: CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
inchikey: WGOWCPGHOCIHBW-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: Dcfton

1-broom-3-chloorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 109-70-6
formula: C3H6BrCl
inchi: InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2
iupac name: 1-Bromo-3-chloropropane @en
pubchem: 8006
smiles: C(CCl)CBr
inchikey: MFESCIUQSIBMSM-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 1Br3ClC3a

domperidon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 57808-66-9
formula: C22H24ClN5O2
inchi: InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
iupac name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one @en
pubchem: 3151
inchikey: FGXWKSZFVQUSTL-UHFFFAOYSA-N
broader: CHEMONTID_0000294
in scheme: Conceptschema Chemische Stoffen

2-naftol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1321-67-1
cas number: 135-19-3
formula: C10H8O
inchi: InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
iupac name: naphthalen-2-ol @en
pubchem: 8663
smiles: C1=CC=C2C=C(C=CC2=C1)O
inchikey: JWAZRIHNYRIHIV-UHFFFAOYSA-N
broader: CHEMONTID_0002441
in scheme: Conceptschema Chemische Stoffen
notation: 2HOxNaf

desethylterbumeton
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 30125-64-5
formula: C8H15N5O
inchi: InChI=1S/C8H15N5O/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)
iupac name: N-tert-butyl-6-methoxy-1,3,5-triazine-2,4-diamine @en
pubchem: 185719
smiles: CC(C)(C)NC1=NC(=NC(=N1)N)OC
inchikey: HSYISQLUXXBNFW-UHFFFAOYSA-N
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
notation: desC2ytbmtn

5-chloorbenzotriazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 94-97-3
formula: C6H4ClN3
inchi: InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
iupac name: 5-chloro-2H-benzotriazole @en
pubchem: 66760
smiles: C1=CC2=NNN=C2C=C1Cl
inchikey: PZBQVZFITSVHAW-UHFFFAOYSA-N
broader: CHEMONTID_0000315
in scheme: Conceptschema Chemische Stoffen
notation: 5Clbztazl

anisool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 100-66-3
formula: C7H8O
inchi: InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
iupac name: Methoxybenzene @en
pubchem: 7519
smiles: COC1=CC=CC=C1
inchikey: RDOXTESZEPMUJZ-UHFFFAOYSA-N
broader: CHEMONTID_0000138
in scheme: Conceptschema Chemische Stoffen
notation: ansl

azijnzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 9035-69-2
cas number: 77671-22-8
cas number: 157090-22-7
cas number: 68475-71-8
cas number: 64-19-7
cas number: 207004-55-5
formula: C2H4O2
inchi: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
iupac name: acetic acid @en
pubchem: 176
smiles: CC(=O)O
inchikey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
broader: CHEMONTID_0001205
in scheme: Conceptschema Chemische Stoffen
notation: HAc

benzyldimethyloctadecylammoniumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 37243-60-0
cas number: 37612-69-4
cas number: 122-19-0
cas number: 60650-76-2
cas number: 89004-38-6
formula: C27H50ClN
inchi: InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
iupac name: benzyl-dimethyl-octadecylazanium chloride @en
pubchem: 31204
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
inchikey: SFVFIFLLYFPGHH-UHFFFAOYSA-M
broader: CHEMONTID_0003977
in scheme: Conceptschema Chemische Stoffen
notation: benzDC1yC18y

3,5-xylylmethylcarbamaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2655-14-3
formula: C10H13NO2
inchi: InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)
iupac name: (3,5-dimethylphenyl) N-methylcarbamate @en
pubchem: 17563
smiles: CC1=CC(=CC(=C1)OC(=O)NC)C
inchikey: CVQODEWAPZVVBU-UHFFFAOYSA-N
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: XMC

cyazofamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 120116-88-3
formula: C13H13ClN4O2S
iupac name: 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide @en
pubchem: 9862076
inchikey: YXKMMRDKEKCERS-UHFFFAOYSA-N
broader: CHEMONTID_0002327
in scheme: Conceptschema Chemische Stoffen
notation: cyazfAd

mosterdgas
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 39472-40-7
cas number: 68157-62-0
cas number: 69020-37-7
cas number: 505-60-2
formula: C4H8Cl2S
inchi: InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2
iupac name: 1-chloro-2-(2-chloroethylsulfanyl)ethane @en
pubchem: 10461
smiles: C(CCl)SCCCl
inchikey: QKSKPIVNLNLAAV-UHFFFAOYSA-N
broader: CHEMONTID_0001279
in scheme: Conceptschema Chemische Stoffen
notation: mostgs

helium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14762-55-1
cas number: 71086-78-7
cas number: 494798-31-1
cas number: 7440-59-7
formula: He
inchi: InChI=1S/He
iupac name: HELIUM @en
pubchem: 23987
smiles: [He]
inchikey: SWQJXJOGLNCZEY-UHFFFAOYSA-N
broader: CHEMONTID_0000433
in scheme: Conceptschema Chemische Stoffen
notation: He

benzonitril
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 100-47-0
formula: C7H5N
inchi: InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
iupac name: Benzonitrile @en
pubchem: 7505
smiles: C1=CC=C(C=C1)C#N
inchikey: JFDZBHWFFUWGJE-UHFFFAOYSA-N
broader: CHEMONTID_0001530
in scheme: Conceptschema Chemische Stoffen
notation: benzntl

N-benzyl-N-methyl-1-phenylmethanamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 102-05-6
formula: C15H17N
inchi: InChI=1S/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
iupac name: N-methyl-1-phenyl-N-(phenylmethyl)methanamine @en
pubchem: 21583
smiles: CN(CC1=CC=CC=C1)CC2=CC=CC=C2
inchikey: WYZDCUGWXKHESN-UHFFFAOYSA-N
broader: CHEMONTID_0000185
in scheme: Conceptschema Chemische Stoffen
notation: NbzNC1y1FyC1

iridium 190
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14981-91-0
formula: Ir
inchi: InChI=1S/Ir/i1-2
iupac name: iridium-190 @en
pubchem: 167220
smiles: [Ir]
inchikey: GKOZUEZYRPOHIO-YPZZEJLDSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ir190

1-hepteen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
cas number: 592-76-7
cas number: 68526-53-4
cas number: 25339-56-4
formula: C7H14
inchi: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
iupac name: hept-1-ene @en
pubchem: 11610
smiles: CCCCCC=C
inchikey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 005
is referenced by: LUC IV 011
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 1C7e

undecaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 112-37-8
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
iupac name: Undecanoic acid @en
pubchem: 8180
smiles: CCCCCCCCCCC(=O)O
inchikey: ZDPHROOEEOARMN-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: C11azr

tetramethyldiaminobenzofenon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 90-94-8
formula: C17H20N2O
inchi: InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
iupac name: bis(4-dimethylaminophenyl)methanone @en
pubchem: 7031
inchikey: VVBLNCFGVYUYGU-UHFFFAOYSA-N
broader: CHEMONTID_0000120
in scheme: Conceptschema Chemische Stoffen
notation: T4C1aDAobzfn

beta-endosulfan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 891-86-1
cas number: 19670-15-6
cas number: 33213-65-9
cas number: 12640-59-4
formula: C9H6Cl6O3S
inchi: InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m0/s1
iupac name: (1S,2R,8S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide @en
pubchem: 6434141
inchikey: RDYMFSUJUZBWLH-VQDHCCOSSA-N
broader: CHEMONTID_0002074
in scheme: Conceptschema Chemische Stoffen
notation: bedsfn

fenson
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 80-38-6
formula: C12H9ClO3S
inchi: InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
iupac name: (4-chlorophenyl) benzenesulfonate @en
pubchem: 6636
smiles: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl
inchikey: SPJOZZSIXXJYBT-UHFFFAOYSA-N
broader: CHEMONTID_0004309
in scheme: Conceptschema Chemische Stoffen
notation: fensn

2-methylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 95-53-4
formula: C7H9N
inchi: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
iupac name: 2-Methylaniline @en
pubchem: 7242
smiles: CC1=CC=CC=C1N
inchikey: RNVCVTLRINQCPJ-UHFFFAOYSA-N
alternative label: o-toluïdine
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yAn

bronopol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 52-51-7
cas number: 133248-96-1
formula: C3H6BrNO4
inchi: InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2
iupac name: 2-Bromo-2-nitropropane-1,3-diol @en
pubchem: 2450
smiles: C(C(CO)([N+](=O)[O-])Br)O
inchikey: LVDKZNITIUWNER-UHFFFAOYSA-N
broader: CHEMONTID_0004117
in scheme: Conceptschema Chemische Stoffen
notation: bronpl

trans-mevinfos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 338-45-4
formula: C7H13O6P
inchi: InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5-
iupac name: methyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate @en
pubchem: 6433175
smiles: CC(=CC(=O)OC)OP(=O)(OC)OC
inchikey: GEPDYQSQVLXLEU-WAYWQWQTSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: tmevfs

cyanofos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 54578-39-1
cas number: 12692-90-9
cas number: 2636-26-2
formula: C9H10NO3PS
inchi: InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
iupac name: 4-dimethoxyphosphinothioyloxybenzonitrile @en
pubchem: 17522
smiles: COP(=S)(OC)OC1=CC=C(C=C1)C#N
inchikey: SCKHCCSZFPSHGR-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: cyanfs

oxazepam
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 61036-43-9
cas number: 604-75-1
cas number: 35295-88-6
formula: C15H11ClN2O2
inchi: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
iupac name: 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one @en
pubchem: 4616
inchikey: ADIMAYPTOBDMTL-UHFFFAOYSA-N
broader: CHEMONTID_0004097
in scheme: Conceptschema Chemische Stoffen
notation: oxzpm

butachloor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 23184-66-9
formula: C17H26ClNO2
inchi: InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
iupac name: N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide @en
pubchem: 31677
smiles: CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl
inchikey: HKPHPIREJKHECO-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: butCl

doxycycline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 564-25-0
cas number: 69935-17-7
formula: C22H29ClN2O10
inchi: InChI=1S/C22H24N2O8.ClH.2H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;;;/h4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;1H;2*1H2/b21-13-;;;/t7-,10+,14+,15-,17-,22-;;;/m0.../s1
iupac name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione dihydrate hydrochloride @en
pubchem: 5488501
inchikey: KWOLJWUETSQNHB-CFLUDCDHSA-N
broader: CHEMONTID_0000181
in scheme: Conceptschema Chemische Stoffen
notation: doxccne

indeno(1,2,3-c,d)pyreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II (D2)
cas number: 193-39-5
cas number: 348085-46-1
formula: C22H12
inchi: InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
iupac name: hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene @en
pubchem: 9131
inchikey: SXQBHARYMNFBPS-UHFFFAOYSA-N
is referenced by: LUC VI 001
alternative label: indeno(1,2,3-cd)pyreen
alternative label: indeno(1,2,3-cd)pyreen (b)
broader: CHEMONTID_0001851
in scheme: Conceptschema Chemische Stoffen
notation: InP

2,7-dimethyloctaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1072-16-8
formula: C10H22
inchi: InChI=1S/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3
iupac name: 2,7-Dimethyloctane @en
pubchem: 14070
smiles: CC(C)CCCCC(C)C
inchikey: KEVMYFLMMDUPJE-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 27DC1yC8a

ivermectine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 70288-86-7
formula: C95H146O28
inchi: InChI=1S/C48H74O14.C47H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3;11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1
iupac name: (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-butan-2-yl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one @en
pubchem: 6474909
inchikey: SPBDXSGPUHCETR-MVGRHBATSA-N
broader: CHEMONTID_0002902
in scheme: Conceptschema Chemische Stoffen
notation: ivmctne

bioresmethrin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10453-86-8
cas number: 28434-01-7
cas number: 10453-54-0
cas number: 24380-84-5
formula: C22H26O3
inchi: InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3
iupac name: [5-(phenylmethyl)furan-3-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 5053
inchikey: VEMKTZHHVJILDY-UHFFFAOYSA-N
alternative label: resmethrin
broader: CHEMONTID_0000051
in scheme: Conceptschema Chemische Stoffen
notation: resmtn
notation: biormtn

2,2',4,5,5'-pentabroombifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 67888-96-4
formula: C12H5Br5
inchi: InChI=1S/C12H5Br5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
iupac name: 1,2,4-tribromo-5-(2,5-dibromophenyl)benzene @en
pubchem: 49996
inchikey: OELBLPCWLAWABI-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: PBB101

clofibrinezuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 882-09-7
formula: C10H11ClO3
inchi: InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
iupac name: 2-(4-Chlorophenoxy)-2-methylpropanoic acid @en
pubchem: 2797
smiles: CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl
inchikey: TXCGAZHTZHNUAI-UHFFFAOYSA-N
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: clofbnzr

quinomethionaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 113535-72-1
cas number: 2439-01-2
cas number: 85188-88-1
formula: C10H6N2OS2
inchi: InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
iupac name: 7-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one @en
pubchem: 17109
smiles: CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3
inchikey: FBQQHUGEACOBDN-UHFFFAOYSA-N
broader: CHEMONTID_0000486
in scheme: Conceptschema Chemische Stoffen
notation: quinmtont

enoxacine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 74011-58-8
formula: C15H17FN4O3
inchi: InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)
iupac name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid @en
pubchem: 3229
inchikey: IDYZIJYBMGIQMJ-UHFFFAOYSA-N
broader: CHEMONTID_0001858
in scheme: Conceptschema Chemische Stoffen
notation: enxcne

N,N-diallyldichlooracetamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 37764-25-3
cas number: 11140-95-7
formula: C8H11Cl2NO
inchi: InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2
iupac name: 2,2-dichloro-N,N-di(prop-2-enyl)acetamide @en
pubchem: 37829
smiles: C=CCN(CC=C)C(=O)C(Cl)Cl
inchikey: YRMLFORXOOIJDR-UHFFFAOYSA-N
alternative label: n,n-diallyldichlooracetamide
broader: CHEMONTID_0001664
in scheme: Conceptschema Chemische Stoffen
notation: NNDalDClacAd

C.I. Vat Yellow 4
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 39280-74-5
cas number: 115685-46-6
cas number: 128-66-5
cas number: 12772-52-0
formula: C24H12O2
inchi: InChI=1S/C24H12O2/c25-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)26/h1-12H
iupac name: hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaene-8,19-dione @en
pubchem: 31412
inchikey: ZTWQZJLUUZHJGS-UHFFFAOYSA-N
alternative label: c.i. vat yellow 4
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
notation: civyw4

ortho-xyleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'xylenen'
cas number: 95-47-6
cas number: 68411-84-7
formula: C8H10
inchi: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
iupac name: 1,2-Dimethylbenzene @en
pubchem: 7237
smiles: CC1=CC=CC=C1C
inchikey: CTQNGGLPUBDAKN-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 001
is referenced by: LUC IV 011
alternative label: 1,2-Dimethylbenzeen
alternative label: 1,2-xyleen
alternative label: o-xyleen
broader: CHEMONTID_0004210
in scheme: Conceptschema Chemische Stoffen
notation: 12xyln

ijzer
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8053-60-9
cas number: 39344-71-3
cas number: 129048-51-7
cas number: 70884-35-4
cas number: 14067-02-8
cas number: 73135-38-3
cas number: 7439-89-6
cas number: 195161-83-2
cas number: 199281-22-6
cas number: 8011-79-8
formula: Fe
inchi: InChI=1S/Fe
iupac name: Iron @en
pubchem: 23925
smiles: [Fe]
inchikey: XEEYBQQBJWHFJM-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Fe

4-nitrofenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 100-02-7
formula: C6H5NO3
inchi: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
iupac name: 4-Nitrophenol @en
pubchem: 980
smiles: C1=CC(=CC=C1[N+](=O)[O-])O
inchikey: BTJIUGUIPKRLHP-UHFFFAOYSA-N
broader: CHEMONTID_0000141
in scheme: Conceptschema Chemische Stoffen
notation: 4NO2Fol

chloortrimethylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1667-04-5
formula: C9H11Cl
inchi: InChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
iupac name: 2-CHLORO-1,3,5-TRIMETHYLBENZENE @en
pubchem: 15462
smiles: CC1=CC(=C(C(=C1)C)Cl)C
inchikey: WDZACGWEPQLKOM-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: ClTC1yBen

1,2,4-trichloorbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 120-82-1
cas number: 63697-18-7
formula: C6H3Cl3
inchi: InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
iupac name: 1,2,4-trichlorobenzene @en
pubchem: 13
smiles: C1=CC(=C(C=C1Cl)Cl)Cl
inchikey: PBKONEOXTCPAFI-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: 124TClBen

molinaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2212-67-1
formula: C9H17NOS
inchi: InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
iupac name: S-Ethyl azepane-1-carbothioate @en
pubchem: 16653
smiles: CCSC(=O)N1CCCCCC1
inchikey: DEDOPGXGGQYYMW-UHFFFAOYSA-N
broader: CHEMONTID_0000307
in scheme: Conceptschema Chemische Stoffen
notation: molnt

2,2',3,4,5'-pentachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 38380-02-8
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-6-1-3-9(14)8(5-6)7-2-4-10(15)12(17)11(7)16/h1-5H
iupac name: 1,2,3-trichloro-4-(2,5-dichlorophenyl)benzene @en
pubchem: 38014
inchikey: OPKYDBFRKPQCBS-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB87

5-beta-cholestan-3-one
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 601-53-6
formula: C27H46O
inchi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
iupac name: (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 92132
inchikey: PESKGJQREUXSRR-JDIFZLMISA-N
broader: CHEMONTID_0001469
in scheme: Conceptschema Chemische Stoffen
notation: 5bcholet3on

dicrotofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3735-78-2
cas number: 141-66-2
formula: C8H16NO5P
inchi: InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+
iupac name: ['(4-dimethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '[(E)-4-dimethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate'] @en
pubchem: 5371560
smiles: CC(=CC(=O)N(C)C)OP(=O)(OC)OC
inchikey: VEENJGZXVHKXNB-VOTSOKGWSA-N
broader: CHEMONTID_0003459
in scheme: Conceptschema Chemische Stoffen
notation: Dctfs

melkzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1715-99-7
cas number: 50-21-5
cas number: 598-82-3
cas number: 152-36-3
cas number: 10326-41-7
cas number: 26100-51-6
cas number: 31587-11-8
formula: C3H6O3
inchi: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
iupac name: 2-hydroxypropanoic acid @en
pubchem: 612
smiles: CC(C(=O)O)O
inchikey: JVTAAEKCZFNVCJ-UHFFFAOYSA-N
broader: CHEMONTID_0001359
in scheme: Conceptschema Chemische Stoffen
notation: melkzr

triforine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 26644-46-2
cas number: 36660-66-9
cas number: 37273-84-0
formula: C10H14Cl6N4O2
iupac name: N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide @en
pubchem: 33565
inchikey: RROQIUMZODEXOR-UHFFFAOYSA-N
broader: CHEMONTID_0003357
in scheme: Conceptschema Chemische Stoffen
notation: Tfrne

isoxathion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 18854-01-8
formula: C13H16NO4PS
inchi: InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
iupac name: diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidenephosphorane @en
pubchem: 29307
smiles: CCOP(=S)(OCC)OC1=NOC(=C1)C2=CC=CC=C2
inchikey: SDMSCIWHRZJSRN-UHFFFAOYSA-N
broader: CHEMONTID_0004623
in scheme: Conceptschema Chemische Stoffen
notation: ixtton

ethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 74-84-0
formula: C2H6
inchi: InChI=1S/C2H6/c1-2/h1-2H3
iupac name: ETHANE @en
pubchem: 6324
smiles: CC
inchikey: OTMSDBZUPAUEDD-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C2a

benzoylecgonine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 519-09-5
formula: C16H19NO4
inchi: InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14+/m0/s1
iupac name: (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid @en
pubchem: 442997
inchikey: GVGYEFKIHJTNQZ-CLRIEMFWSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: benzyegnne

N,3-dimethylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 696-44-6
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3
iupac name: N,3-Dimethylaniline @en
pubchem: 69675
smiles: CC1=CC(=CC=C1)NC
inchikey: FBGJJTQNZVNEQU-UHFFFAOYSA-N
alternative label: n,3-dimethylaniline
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: N3DC1yAn

brucine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 357-57-3
cas number: 70206-61-0
cas number: 54193-32-7
cas number: 193198-03-7
cas number: 101324-32-7
formula: C23H26N2O4
inchi: InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18?,19-,21-,22?,23+/m0/s1
iupac name: (4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one @en
pubchem: 9649
inchikey: RRKTZKIUPZVBMF-PLNGPGDESA-N
broader: CHEMONTID_0002749
in scheme: Conceptschema Chemische Stoffen
notation: brucne

n-(2,4-dimethylfenyl)formamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 60397-77-5
formula: C9H11NO
inchi: InChI=1S/C9H11NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-6H,1-2H3,(H,10,11)
iupac name: N-(2,4-dimethylphenyl)formamide @en
pubchem: 92363
smiles: CC1=CC(=C(C=C1)NC=O)C
inchikey: JOFDPSBOUCXJCC-UHFFFAOYSA-N
alternative label: N-(2,4-dimethylfenyl)formamide
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: N24DC1yFyfAd

tributyltin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 36643-28-4
formula: C12H27Sn+
inchi: InChI=1S/3C4H9.Sn/c3*1-3-4-2;/h3*1,3-4H2,2H3;/q;;;+1
iupac name: tributylstannanylium @en
pubchem: 37499
smiles: CCCC[Sn+](CCCC)CCCC
inchikey: LSKGFBJLYWXIOF-UHFFFAOYSA-N
alternative label: tributyltin (kation)
broader: CHEMONTID_0004072
in scheme: Conceptschema Chemische Stoffen
notation: TC4ySn

1-docoseen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 29730-67-4
cas number: 93924-10-8
cas number: 1599-67-3
formula: C22H44
iupac name: docos-1-ene @en
pubchem: 74138
smiles: CCCCCCCCCCCCCCCCCCCCC=C
inchikey: SPURMHFLEKVAAS-UHFFFAOYSA-N
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 1C22e

alprazolam
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 28981-97-7
formula: C17H13ClN4
inchi: InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
iupac name: 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine @en
pubchem: 2118
inchikey: VREFGVBLTWBCJP-UHFFFAOYSA-N
broader: CHEMONTID_0004226
in scheme: Conceptschema Chemische Stoffen
notation: alpzlm

2-(2-(4-nonylfenoxy)ethoxy)ethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 9016-45-9
cas number: 20427-84-3
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3
iupac name: 2-[2-(4-Nonylphenoxy)ethoxy]ethanol @en
pubchem: 24773
smiles: CCCCCCCCCC1=CC=C(C=C1)OCCOCCO
inchikey: BLXVTZPGEOGTGG-UHFFFAOYSA-N
alternative label: nonylfenolmonoethoxylaat
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: NPEO1
notation: 224C9yfOxC2o

p-chloor-m-cresol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 35421-08-0
formula: C7H7ClO
inchi: InChI=1S/C7H7ClO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5H2
iupac name: 4-(chloromethyl)phenol @en
pubchem: 35684
smiles: C1=CC(=CC=C1CCl)O
inchikey: SSIMHHUMYMHNID-UHFFFAOYSA-N
broader: CHEMONTID_0003980
in scheme: Conceptschema Chemische Stoffen
notation: pClmcsl

2-methoxy-4-nitrofenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3251-56-7
formula: C7H7NO4
inchi: InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3
iupac name: 2-Methoxy-4-nitrophenol @en
pubchem: 76738
smiles: COC1=C(C=CC(=C1)[N+](=O)[O-])O
inchikey: IZLVFLOBTPURLP-UHFFFAOYSA-N
broader: CHEMONTID_0004671
in scheme: Conceptschema Chemische Stoffen
notation: 2C1ox4NO2Fol

3-careen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 13466-78-9
cas number: 74806-04-5
cas number: 116783-27-8
formula: C10H16
inchi: InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
iupac name: 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene @en
pubchem: 26049
smiles: CC1=CCC2C(C1)C2(C)C
inchikey: BQOFWKZOCNGFEC-UHFFFAOYSA-N
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
notation: 3carn

carbohydrazide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 497-18-7
formula: CH6N4O
inchi: InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)
iupac name: 1,3-Diaminourea @en
pubchem: 73948
smiles: C(=O)(NN)NN
inchikey: XEVRDFDBXJMZFG-UHFFFAOYSA-N
broader: CHEMONTID_0002464
in scheme: Conceptschema Chemische Stoffen
notation: carbhdzde

1-chloorbutaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 109-69-3
formula: C4H9Cl
inchi: InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
iupac name: 1-Chlorobutane @en
pubchem: 8005
smiles: CCCCCl
inchikey: VFWCMGCRMGJXDK-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 1ClC4a

2,6-xylidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 87-62-7
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
iupac name: 2,6-Dimethylaniline @en
pubchem: 6896
smiles: CC1=C(C(=CC=C1)C)N
inchikey: UFFBMTHBGFGIHF-UHFFFAOYSA-N
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: 26xyldne

2,6-dimethylpyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 108-48-5
formula: C7H9N
inchi: InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3
iupac name: 2,6-Dimethylpyridine @en
pubchem: 7937
smiles: CC1=NC(=CC=C1)C
inchikey: OISVCGZHLKNMSJ-UHFFFAOYSA-N
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
notation: 26DC1yprdne

arseen 74
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14304-78-0
formula: As
inchi: InChI=1S/As/i1-1
iupac name: arsenic-74 @en
pubchem: 6335515
smiles: [As]
inchikey: RQNWIZPPADIBDY-BJUDXGSMSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: As74

natriumlaurylsulfaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 12738-53-3
cas number: 1334-67-4
cas number: 74433-77-5
cas number: 12765-21-8
cas number: 111726-87-5
cas number: 58640-35-0
cas number: 121481-64-9
cas number: 61711-39-5
cas number: 51222-39-0
cas number: 1335-72-4
cas number: 129203-37-8
cas number: 8012-56-4
cas number: 151-21-3
cas number: 64441-33-4
cas number: 152155-52-7
cas number: 57176-54-2
formula: C12H25NaO4S
inchi: InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
iupac name: Sodium dodecyl sulfate @en
pubchem: 9028
smiles: CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
inchikey: DBMJMQXJHONAFJ-UHFFFAOYSA-M
broader: CHEMONTID_0001185
in scheme: Conceptschema Chemische Stoffen
notation: NaLySO4

arseniet
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15502-74-6
cas number: 11118-55-1
formula: AsO3-3
inchi: InChI=1S/AsO3/c2-1(3)4/q-3
iupac name: arsorite @en
pubchem: 544
smiles: [O-][As]([O-])[O-]
inchikey: OWTFKEBRIAXSMO-UHFFFAOYSA-N
broader: CHEMONTID_0001475
in scheme: Conceptschema Chemische Stoffen
notation: AsO2

boorzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 11113-50-1
cas number: 11129-12-7
cas number: 13813-79-1
cas number: 10043-35-3
cas number: 13460-50-9
cas number: 12795-04-9
formula: BH3O3
inchi: InChI=1S/BH3O3/c2-1(3)4/h2-4H
iupac name: Boric acid @en
pubchem: 7628
smiles: B(O)(O)O
inchikey: KGBXLFKZBHKPEV-UHFFFAOYSA-N
broader: CHEMONTID_0001476
in scheme: Conceptschema Chemische Stoffen
notation: boorzr

3,4-dinitrofenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 577-71-9
formula: C6H4N2O5
inchi: InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H
iupac name: 3,4-DINITROPHENOL @en
pubchem: 11348
smiles: C1=CC(=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]
inchikey: AKLOLDQYWQAREW-UHFFFAOYSA-N
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
notation: 34DNO2Fol

cyproteronacetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 427-51-0
formula: C24H29ClO4
inchi: InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
iupac name: [(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate @en
pubchem: 9880
inchikey: UWFYSQMTEOIJJG-FDTZYFLXSA-N
broader: CHEMONTID_0001468
in scheme: Conceptschema Chemische Stoffen
notation: cyptractt

benzo(e)pyreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 73467-76-2
cas number: 192-97-2
formula: C20H12
inchi: InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
iupac name: benzo[e]pyrene @en
pubchem: 9128
inchikey: TXVHTIQJNYSSKO-UHFFFAOYSA-N
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
notation: BeP

carbonylsulfide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 463-58-1
cas number: 20684-88-2
formula: COS
inchi: InChI=1S/COS/c2-1-3
iupac name: sulfanylidenemethanone @en
pubchem: 10039
smiles: C(=O)=S
inchikey: JJWKPURADFRFRB-UHFFFAOYSA-N
broader: CHEMONTID_0000004
in scheme: Conceptschema Chemische Stoffen
notation: carbnS

p-tertiair-butyltolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 98-51-1
formula: C11H16
inchi: InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
iupac name: 1-tert-Butyl-4-methylbenzene @en
pubchem: 7390
smiles: CC1=CC=C(C=C1)C(C)(C)C
inchikey: QCWXDVFBZVHKLV-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: pttC4yTol

beryllium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7440-41-7
formula: Be
inchi: InChI=1S/Be
iupac name: BERYLLIUM @en
pubchem: 5460467
smiles: [Be]
inchikey: ATBAMAFKBVZNFJ-UHFFFAOYSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Be

thioacetamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1482-80-0
cas number: 62-55-5
formula: C2H5NS
inchi: InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
iupac name: Ethanethioamide @en
pubchem: 6117
smiles: CC(=N)S
inchikey: YUKQRDCYNOVPGJ-UHFFFAOYSA-N
broader: CHEMONTID_0000510
in scheme: Conceptschema Chemische Stoffen
notation: toacAd

vamidothion
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2275-23-2
formula: C8H18NO4PS2
inchi: InChI=1S/C8H18NO4PS2/c1-9-8(10)4-5-15-6-7-16-14(11,12-2)13-3/h4-7H2,1-3H3,(H,9,10)
pubchem: 16775
smiles: CNC(=O)CCSCCSP(=O)(OC)OC
inchikey: CUJJSLYROAWARJ-UHFFFAOYSA-N
broader: CHEMONTID_0001663
in scheme: Conceptschema Chemische Stoffen
notation: vamdton

guazatine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 79956-56-2
cas number: 13516-27-3
cas number: 108173-90-6
formula: C18H41N7
inchi: InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
pubchem: 3526
smiles: C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N
inchikey: RONFGUROBZGJKP-UHFFFAOYSA-N
broader: CHEMONTID_0000375
in scheme: Conceptschema Chemische Stoffen
notation: guaztne

dibroommethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 74-95-3
cas number: 4371-77-1
formula: CH2Br2
inchi: InChI=1S/CH2Br2/c2-1-3/h1H2
iupac name: Dibromomethane @en
pubchem: 3024
smiles: C(Br)Br
inchikey: FJBFPHVGVWTDIP-UHFFFAOYSA-N
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: DBrC1a

hexaconazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 79983-71-4
formula: C14H17Cl2N3O
inchi: InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
iupac name: 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol @en
pubchem: 66461
smiles: CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O
inchikey: STMIIPIFODONDC-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: Hxcnzl

8alpha-estradiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 517-04-4
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14?,15-,16?,17-,18?/m0/s1
iupac name: (8S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol @en
pubchem: 10596
smiles: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
inchikey: VOXZDWNPVJITMN-ZZEXBNFBSA-N
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
notation: 8aestDol

1,1-difenylhydrazine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 530-50-7
cas number: 530-47-2
formula: C12H13ClN2
inchi: InChI=1S/C12H12N2.ClH/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,13H2;1H
iupac name: 1,1-Diphenylhydrazine hydrochloride @en
pubchem: 10738
smiles: C1=CC=C(C=C1)N(C2=CC=CC=C2)N.Cl
inchikey: MIVUDWFNUOXEJM-UHFFFAOYSA-N
broader: CHEMONTID_0000113
in scheme: Conceptschema Chemische Stoffen
notation: 11DFydzne

flecainide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 54143-55-4
cas number: 99495-87-1
formula: C17H20F6N2O3
inchi: InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)
iupac name: N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide @en
pubchem: 3356
inchikey: DJBNUMBKLMJRSA-UHFFFAOYSA-N
broader: CHEMONTID_0000178
in scheme: Conceptschema Chemische Stoffen
notation: flecinde

propionaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 72-03-7
formula: C3H5O2-
inchi: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
iupac name: propanoate @en
pubchem: 104745
smiles: CCC(=O)[O-]
inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-M
broader: CHEMONTID_0001205
in scheme: Conceptschema Chemische Stoffen
notation: propont

perfluordodecaansulfonzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 79780-39-5
formula: C12HF25O3S
inchi: InChI=1S/C12HF25O3S/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)41(38,39)40/h(H,38,39,40)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulfonic acid @en
pubchem: 3018866
inchikey: CFCRODHVHXGTPC-UHFFFAOYSA-N
alternative label: perfluor-n-dodecaansulfonzuur (pfdods)
alternative label: perfluordodecaansulfonzuur (pfdods)
alternative label: perfluor-n-dodecaansulfonzuur
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
notation: PFDoDS
notation: PFDoAS

californium 249
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15237-97-5
formula: Cf
inchi: InChI=1S/Cf/i1-2
iupac name: californium-249 @en
pubchem: 105176
smiles: [Cf]
inchikey: HGLDOAKPQXAFKI-YPZZEJLDSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Cf249

1,2,3,4,7,8-hexachloordibenzodioxine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 39227-28-6
formula: C12H2Cl6O2
inchi: InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H
iupac name: 1,2,3,4,7,8-hexachlorooxanthrene @en
pubchem: 38251
inchikey: WCYYQNSQJHPVMG-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,4,7,8-hexachloordibenzo-p-dioxine
alternative label: 1,2,3,4,7,8-hexachloordibenzo-para-dioxine
alternative label: 1,2,3,4,7,8-hexachloordibenzodioxine (hxcdd)
broader: CHEMONTID_0000420
in scheme: Conceptschema Chemische Stoffen
notation: PCDD66

tributyltrithiofosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 78-48-8
formula: C12H27OPS3
inchi: InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3
pubchem: 5125
smiles: CCCCSP(=O)(SCCCC)SCCCC
inchikey: ZOKXUAHZSKEQSS-UHFFFAOYSA-N
broader: CHEMONTID_0001438
in scheme: Conceptschema Chemische Stoffen
notation: TC4yTtoPO4

1,2,3,5-tetramethylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 527-53-7
formula: C10H14
inchi: InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3
iupac name: 1,2,3,5-Tetramethylbenzene @en
pubchem: 10695
smiles: CC1=CC(=C(C(=C1)C)C)C
inchikey: BFIMMTCNYPIMRN-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 1235T4C1yBen

C.I. Disperse Yellow 3
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 12227-01-9
cas number: 12238-70-9
cas number: 66057-65-6
cas number: 2832-40-8
formula: C15H15N3O2
inchi: InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,17H,1-2H3,(H,16,19)/b18-14+
iupac name: ['N-[4-[(2E)-2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide', 'N-[4-[2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide'] @en
pubchem: 5372015
inchikey: ZGLBGXHBFHCOAF-NBVRZTHBSA-N
alternative label: c.i. disperse yellow 3
broader: CHEMONTID_0001846
in scheme: Conceptschema Chemische Stoffen
notation: cidyw3

glibenclamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 10238-21-8
formula: C23H28ClN3O5S
pubchem: 3488
inchikey: ZNNLBTZKUZBEKO-UHFFFAOYSA-N
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: glibcmde

natriumcyclamaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 139-05-9
cas number: 53170-91-5
cas number: 61373-78-2
formula: C6H12NNaO3S
inchi: InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
iupac name: Sodium N-cyclohexylsulfamate @en
pubchem: 8751
smiles: C1CCC(CC1)NS(=O)(=O)[O-].[Na+]
inchikey: UDIPTWFVPPPURJ-UHFFFAOYSA-M
broader: CHEMONTID_0000365
in scheme: Conceptschema Chemische Stoffen
notation: Naccmt

ethyl-4-hydroxybenzoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 120-47-8
formula: C9H10O3
inchi: InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
iupac name: Ethyl 4-hydroxybenzoate @en
pubchem: 8434
smiles: CCOC(=O)C1=CC=C(C=C1)O
inchikey: NUVBSKCKDOMJSU-UHFFFAOYSA-N
broader: CHEMONTID_0004702
in scheme: Conceptschema Chemische Stoffen
notation: C2y4HOxbzat

2,6-dinitroaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 606-22-4
formula: C6H5N3O4
inchi: InChI=1S/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2
iupac name: 2,6-Dinitroaniline @en
pubchem: 69070
smiles: C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-]
inchikey: QFUSCYRJMXLNRB-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: 26DNO2An

carbamazepine 10,11-epoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 36507-30-9
formula: C15H12N2O2
inchi: InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)
iupac name: 3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide @en
pubchem: 2555
inchikey: ZRWWEEVEIOGMMT-UHFFFAOYSA-N
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: carbmzpn1011

N,N,2-trimethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 29256-93-7
cas number: 609-72-3
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3
iupac name: N,N,2-Trimethylaniline @en
pubchem: 11869
smiles: CC1=CC=CC=C1N(C)C
inchikey: JDEJGVSZUIJWBM-UHFFFAOYSA-N
alternative label: n,n,2-trimethylaniline
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: NN2TC1yAn

diethatyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 38725-95-0
formula: C14H18ClNO3
inchi: InChI=1S/C14H18ClNO3/c1-3-10-6-5-7-11(4-2)14(10)16(9-13(18)19)12(17)8-15/h5-7H,3-4,8-9H2,1-2H3,(H,18,19)
iupac name: 2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetic acid @en
pubchem: 91627
smiles: CCC1=C(C(=CC=C1)CC)N(CC(=O)O)C(=O)CCl
inchikey: ISERORSDFSDMDV-UHFFFAOYSA-N
broader: CHEMONTID_0002402
in scheme: Conceptschema Chemische Stoffen
notation: Dettl

tetrabroombisfenol a
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7300-23-4
cas number: 26446-62-8
cas number: 25639-54-7
cas number: 107719-55-1
cas number: 110670-65-0
cas number: 124779-54-0
cas number: 108608-60-2
cas number: 76341-26-9
cas number: 51253-31-7
cas number: 131891-38-8
cas number: 79-94-7
cas number: 30496-13-0
formula: C15H12Br4O2
inchi: InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
iupac name: 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol @en
pubchem: 6618
inchikey: VEORPZCZECFIRK-UHFFFAOYSA-N
alternative label: tetrabroombisfenol-a
alternative label: tetrabroombisfenol A
broader: CHEMONTID_0000143
in scheme: Conceptschema Chemische Stoffen
notation: T4BrbFolA

2,4,6-trinitrotolueen (tnt)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 118-96-7
formula: C7H5N3O6
inchi: InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
iupac name: 2-Methyl-1,3,5-trinitrobenzene @en
pubchem: 8376
smiles: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchikey: SPSSULHKWOKEEL-UHFFFAOYSA-N
alternative label: 2,4,6-trinitrotolueen (TNT)
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: TNT

2,2',4,4'-tetrabroombifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 60044-25-9
cas number: 59080-37-4
formula: C12H6Br4
inchi: InChI=1S/C12H6Br4/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6H
iupac name: 1,4-dibromo-2-(2,6-dibromophenyl)benzene @en
pubchem: 91669
inchikey: IMEYSCIEAFLSQJ-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: PBB52

dioxabenzofos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3811-49-2
cas number: 90293-16-6
cas number: 90293-10-0
formula: C8H9O3PS
inchi: InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3
iupac name: 8-methoxy-8-sulfanylidene-7,9-dioxa-8$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5-triene @en
pubchem: 19657
smiles: COP1(=S)OCC2=CC=CC=C2O1
inchikey: OUNSASXJZHBGAI-UHFFFAOYSA-N
broader: CHEMONTID_0004623
in scheme: Conceptschema Chemische Stoffen
notation: DOxbzfs

sulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14808-79-8
cas number: 18785-72-3
formula: O4S-2
inchi: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
iupac name: SULFATE @en
pubchem: 1117
smiles: [O-]S(=O)(=O)[O-]
inchikey: QAOWNCQODCNURD-UHFFFAOYSA-L
is referenced by: WAC V B 003
broader: CHEMONTID_0001077
in scheme: Conceptschema Chemische Stoffen
notation: SO4

calciumoxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 245321-52-2
cas number: 104624-96-6
cas number: 1305-78-8
cas number: 60873-85-0
cas number: 12610-14-9
formula: CaO
inchi: InChI=1S/Ca.O
iupac name: oxocalcium @en
pubchem: 14778
smiles: O=[Ca]
inchikey: ODINCKMPIJJUCX-UHFFFAOYSA-N
broader: CHEMONTID_0000546
in scheme: Conceptschema Chemische Stoffen
notation: CaO

10,11-dihydroxycarbamazepine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3564-73-6
formula: C15H14N2O
inchi: InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)
iupac name: 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide @en
pubchem: 19099
smiles: C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N
inchikey: PHNLCHMJDSSPDQ-UHFFFAOYSA-N
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: 1011DHcbmzpn

1,4-diethylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 105-05-5
formula: C10H14
inchi: InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
iupac name: 1,4-DIETHYLBENZENE @en
pubchem: 7734
smiles: CCC1=CC=C(C=C1)CC
inchikey: DSNHSQKRULAAEI-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 14DC2yBen

cholest-3-een
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 16732-84-6
formula: C27H46
inchi: InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11,19-25H,7-10,12-18H2,1-5H3/t20-,21?,22?,23?,24+,25+,26?,27?/m1/s1
iupac name: (9S,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene @en
pubchem: 140131
inchikey: SFBMPHLOQAKIBY-HXHCRBPZSA-N
broader: CHEMONTID_0003566
in scheme: Conceptschema Chemische Stoffen
notation: chol3en

trichloorisocyanuurzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 87-90-1
formula: C3Cl3N3O3
inchi: InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
iupac name: 1,3,5-Trichloro-1,3,5-triazinane-2,4,6-trione @en
pubchem: 6909
smiles: C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl
inchikey: YRIZYWQGELRKNT-UHFFFAOYSA-N
broader: CHEMONTID_0001920
in scheme: Conceptschema Chemische Stoffen
notation: TCliCNzr

oestron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 37242-41-4
cas number: 53-16-7
formula: C18H22O2
inchi: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
iupac name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one @en
pubchem: 5870
smiles: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
inchikey: DNXHEGUUPJUMQT-CBZIJGRNSA-N
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
notation: oestn

benzoylchloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 98-88-4
formula: C7H5ClO
inchi: InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
iupac name: BENZOYL CHLORIDE @en
pubchem: 7412
smiles: C1=CC=C(C=C1)C(=O)Cl
inchikey: PASDCCFISLVPSO-UHFFFAOYSA-N
broader: CHEMONTID_0000176
in scheme: Conceptschema Chemische Stoffen
notation: benzyCl

jodfenfos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 18181-70-9
formula: C8H8Cl2IO3PS
inchi: InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3
iupac name: (2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidenephosphorane @en
pubchem: 28935
smiles: COP(=S)(OC)OC1=CC(=C(C=C1Cl)I)Cl
inchikey: LFVLUOAHQIVABZ-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: jodffs

calcium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7789-78-8
cas number: 7440-70-2
cas number: 8047-59-4
formula: Ca
inchi: InChI=1S/Ca
iupac name: Calcium @en
pubchem: 5460341
smiles: [Ca]
inchikey: OYPRJOBELJOOCE-UHFFFAOYSA-N
is referenced by: WAC III A 009
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Ca

tereftaalzuur diisobutylester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 18699-48-4
formula: C16H22O4
inchi: InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-5-7-14(8-6-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
iupac name: bis(2-methylpropyl) benzene-1,4-dicarboxylate @en
pubchem: 29218
smiles: CC(C)COC(=O)C1=CC=C(C=C1)C(=O)OCC(C)C
inchikey: LQKWPGAPADIOSS-UHFFFAOYSA-N
broader: CHEMONTID_0004012
in scheme: Conceptschema Chemische Stoffen
notation: terfzDiC4yEs

curcumine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 458-37-7
formula: C21H20O6
inchi: InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
iupac name: ['5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one', '(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one'] @en
pubchem: 5281767
inchikey: ZIUSSTSXXLLKKK-KOBPDPAPSA-N
broader: CHEMONTID_0000356
in scheme: Conceptschema Chemische Stoffen
notation: curcmn

2,4-tolueendi-isocyanaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 26006-20-2
cas number: 86-91-9
cas number: 26471-62-5
cas number: 584-84-9
cas number: 1321-38-6
cas number: 59539-76-3
formula: C9H6N2O2
inchi: InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
iupac name: 2,4-Diisocyanato-1-methylbenzene @en
pubchem: 11443
smiles: CC1=C(C=C(C=C1)N=C=O)N=C=O
inchikey: DVKJHBMWWAPEIU-UHFFFAOYSA-N
alternative label: 2,4-tolueendiisocyanaat
broader: CHEMONTID_0003983
in scheme: Conceptschema Chemische Stoffen
notation: 24TolDiCN

gamithromycine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 145435-72-9
formula: C40H76N2O12
inchi: InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25?,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1
iupac name: (2R,3S,4R,5S,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-7-propyl-1-oxa-7-azacyclopentadecan-15-one @en
pubchem: 23725090
inchikey: VWAMTBXLZPEDQO-FWEXOAGLSA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen

2,6-di-tert-butyl-1,4-benzochinon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 719-22-2
formula: C14H20O2
inchi: InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
iupac name: 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione @en
pubchem: 12867
smiles: CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
inchikey: RDQSIADLBQFVMY-UHFFFAOYSA-N
broader: CHEMONTID_0001563
in scheme: Conceptschema Chemische Stoffen
notation: 26DttC4y14be

astatium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 31665-25-5
cas number: 7440-68-8
cas number: 76971-83-0
formula: At
inchi: InChI=1S/At
iupac name: astatine @en
pubchem: 5460479
smiles: [At]
inchikey: RYXHOMYVWAEKHL-UHFFFAOYSA-N
broader: CHEMONTID_0000432
in scheme: Conceptschema Chemische Stoffen
notation: At

isoxaben
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 82558-50-7
formula: C18H24N2O4
inchi: InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
iupac name: 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide @en
pubchem: 73672
inchikey: PMHURSZHKKJGBM-UHFFFAOYSA-N
broader: CHEMONTID_0004111
in scheme: Conceptschema Chemische Stoffen
notation: isxbn

4'-hydroxydiclofenac
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 64118-84-9
formula: C14H11Cl2NO3
inchi: InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)
iupac name: 2-[2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl]acetic acid @en
pubchem: 116545
inchikey: KGVXVPRLBMWZLG-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 4HoxDcfnc

clodinafop-propargyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 105512-06-9
cas number: 126572-25-6
cas number: 126301-94-8
formula: C17H13ClFNO4
inchi: InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1
iupac name: prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate @en
pubchem: 92431
smiles: CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F
inchikey: JBDHZKLJNAIJNC-LLVKDONJSA-N
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: clodnfppgl

pentacosaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 629-99-2
formula: C25H52
iupac name: PENTACOSANE @en
pubchem: 12406
smiles: CCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: YKNWIILGEFFOPE-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C25a

dicycloverine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 77-19-0
cas number: 104959-55-9
formula: C19H35NO2
inchi: InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
iupac name: 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate @en
pubchem: 3042
smiles: CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
inchikey: CURUTKGFNZGFSE-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: Dccvrne

triethylamine-triclopyr
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 57213-69-1
formula: C13H19Cl3N2O3
inchi: InChI=1S/C7H4Cl3NO3.C6H15N/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;1-4-7(5-2)6-3/h1H,2H2,(H,12,13);4-6H2,1-3H3
iupac name: N,N-diethylethanamine; 2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid @en
pubchem: 42163
smiles: CCN(CC)CC.C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl
inchikey: ROKVVMOXSZIDEG-UHFFFAOYSA-N
broader: CHEMONTID_0003971
in scheme: Conceptschema Chemische Stoffen
notation: TC2yAeTcpr

dihexadecyldimethylammonium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 70755-47-4
formula: C34H72BrN
inchi: InChI=1S/C34H72N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1
iupac name: dihexadecyl-dimethylazanium bromide @en
pubchem: 9808235
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]
inchikey: VIXPKJNAOIWFMW-UHFFFAOYSA-M
alternative label: dihexadecyldimethylammonium bromide
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: DC16yDC1yNH4

valeriaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 12124-87-7
cas number: 109-52-4
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
iupac name: Pentanoic acid @en
pubchem: 7991
smiles: CCCCC(=O)O
inchikey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
broader: CHEMONTID_0000333
in scheme: Conceptschema Chemische Stoffen
notation: valrazr

3,7,11,15-tetramethyl-1hexadecanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 645-72-7
formula: C20H42O
inchi: InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3
iupac name: 3,7,11,15-Tetramethylhexadecan-1-ol @en
pubchem: 102459
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)CCO
inchikey: AJAKLDUGVSKVDG-UHFFFAOYSA-N
broader: CHEMONTID_0001357
in scheme: Conceptschema Chemische Stoffen
notation: 371115T4C1y1

ethylbutylactetylaminopropionaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 52304-36-6
cas number: 362607-57-6
formula: C11H21NO3
inchi: InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3
iupac name: ethyl 3-(acetyl-butylamino)propanoate @en
pubchem: 104150
smiles: CCCCN(CCC(=O)OCC)C(=O)C
inchikey: VZRKEAFHFMSHCD-UHFFFAOYSA-N
broader: CHEMONTID_0001664
in scheme: Conceptschema Chemische Stoffen
notation: EBAAP

iso-amylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 123-92-2
cas number: 29732-50-1
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
iupac name: 3-Methylbutyl acetate @en
pubchem: 31276
smiles: CC(C)CCOC(=O)C
inchikey: MLFHJEHSLIIPHL-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: iamactt

cyfluthrin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 83855-46-3
cas number: 68359-37-5
formula: C22H18Cl2FNO3
iupac name: [cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 104926
inchikey: QQODLKZGRKWIFG-UHFFFAOYSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: cyftn

1,3,5-triazine-2,4,6-triamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 94977-27-2
cas number: 68379-55-5
cas number: 67757-43-1
cas number: 130392-03-9
cas number: 70371-19-6
cas number: 169314-62-9
cas number: 504-18-7
cas number: 65544-34-5
cas number: 108-78-1
formula: C3H6N6
inchi: InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
iupac name: 1,3,5-Triazine-2,4,6-triamine @en
pubchem: 7955
smiles: C1(=NC(=NC(=N1)N)N)N
inchikey: JDSHMPZPIAZGSV-UHFFFAOYSA-N
alternative label: 1,3,5-Triazine-2,4,6-triamine (Melamine)
broader: CHEMONTID_0004105
in scheme: Conceptschema Chemische Stoffen
notation: 135Tazn246TA

pyridalyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 179101-81-6
formula: C18H14Cl4F3NO3
iupac name: 2-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(trifluoromethyl)pyridine @en
pubchem: 11488729
inchikey: AEHJMNVBLRLZKK-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: pyrdll

ytterbium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 110424-81-2
cas number: 7440-64-4
formula: Yb
inchi: InChI=1S/Yb
iupac name: YTTERBIUM @en
pubchem: 23992
smiles: [Yb]
inchikey: NAWDYIZEMPQZHO-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Yb

loperamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 34552-83-5
cas number: 53179-11-6
formula: C29H34Cl2N2O2
inchi: InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H
iupac name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-di(phenyl)butanamide hydrochloride @en
pubchem: 71420
inchikey: PGYPOBZJRVSMDS-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: lopAd

2-hexanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 30637-87-7
cas number: 591-78-6
formula: C6H12O
inchi: InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
iupac name: hexan-2-one @en
pubchem: 11583
smiles: CCCCC(=O)C
inchikey: QQZOPKMRPOGIEB-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 2C6on

mendelevium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7440-11-1
formula: Md
inchi: InChI=1S/Md
iupac name: MENDELEVIUM @en
pubchem: 23943
smiles: [Md]
inchikey: MQVSLOYRCXQRPM-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Md

milbemycin A4
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 51596-11-3
formula: C32H46O7
inchi: InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+/t19?,21?,24-,25+,26+,27?,28-,29-,31-,32-/m1/s1
iupac name: (1R,4S,6R,8R,10E,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one @en
pubchem: 6436669
inchikey: VOZIAWLUULBIPN-DFYAAVTESA-N
alternative label: milbemycin a4
broader: CHEMONTID_0002902
in scheme: Conceptschema Chemische Stoffen
notation: milbmcA4

difenacoum
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 56073-07-5
formula: C31H24O3
inchi: InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,33H,18-19H2
iupac name: 2-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one @en
pubchem: 41735
inchikey: NZOWVZVFSVRNOR-UHFFFAOYSA-N
broader: CHEMONTID_0002044
in scheme: Conceptschema Chemische Stoffen
notation: Dfncm

acrylonitrile
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II Art. 5.7.1.4/ Art. 5.7.7.1/Art. 5.7.13.1
comment: VLAREM II bijlage 4.4.2
cas number: 29754-21-0
cas number: 63908-52-1
cas number: 107-13-1
formula: C3H3N
inchi: InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
iupac name: prop-2-enenitrile @en
pubchem: 7855
smiles: C=CC#N
inchikey: NLHHRLWOUZZQLW-UHFFFAOYSA-N
alternative label: acrylonitril
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: aclntl

pyributicarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 88678-67-5
formula: C18H22N2O2S
inchi: InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3
iupac name: O-(3-tert-butylphenyl) [(6-methoxypyridin-2-yl)-methylamino]methanethioate @en
pubchem: 93486
inchikey: VTRWMTJQBQJKQH-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: pyrbtcb

2,4-dichloorbifenyl (pcb 7)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 33284-50-3
formula: C12H8Cl2
inchi: InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
iupac name: 2,4-dichloro-1-phenylbenzene @en
pubchem: 36399
smiles: C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)Cl
inchikey: WEJZHZJJXPXXMU-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen

dichlobenil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1194-65-6
cas number: 104809-79-2
formula: C7H3Cl2N
inchi: InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
iupac name: 2,6-Dichlorobenzonitrile @en
pubchem: 3031
smiles: C1=CC(=C(C(=C1)Cl)C#N)Cl
inchikey: YOYAIZYFCNQIRF-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: Dcbnl

tau-fluvalinaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 102851-06-9
formula: C26H22ClF3N2O3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate @en
pubchem: 91768
inchikey: INISTDXBRIBGOC-XMMISQBUSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: taufvlnt

nonacosaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 630-03-5
formula: C29H60
iupac name: Nonacosane @en
pubchem: 12409
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: IGGUPRCHHJZPBS-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C29a

(24s)-ergosta-5,22(e)-dien-3beta-ol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 17472-78-5
formula: C28H46O
inchi: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+
iupac name: ['17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol', '17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol'] @en
pubchem: 5365965
inchikey: OILXMJHPFNGGTO-BQYQJAHWSA-N
alternative label: (24S)-ergosta-5,22(E)-dien-3beta-ol
broader: CHEMONTID_0001403
in scheme: Conceptschema Chemische Stoffen
notation: 24Segs522E-d

hexacosaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 630-01-3
formula: C26H54
iupac name: HEXACOSANE @en
pubchem: 12407
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: HMSWAIKSFDFLKN-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C26a

cyprofuram
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 69581-33-5
formula: C14H14ClNO3
inchi: InChI=1S/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2
iupac name: N-(3-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide @en
pubchem: 50590
smiles: C1CC1C(=O)N(C2CCOC2=O)C3=CC(=CC=C3)Cl
inchikey: KRZUZYJEQBXUIN-UHFFFAOYSA-N
broader: CHEMONTID_0000394
in scheme: Conceptschema Chemische Stoffen
notation: cypfrm

secobarbital
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 76-73-3
cas number: 29071-21-4
formula: C12H18N2O3
inchi: InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
iupac name: 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione @en
pubchem: 5193
smiles: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
inchikey: KQPKPCNLIDLUMF-UHFFFAOYSA-N
broader: CHEMONTID_0000292
in scheme: Conceptschema Chemische Stoffen
notation: secbbtl

naftaleen-2,7-disulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 92-41-1
formula: C10H8O6S2
inchi: InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16)
iupac name: Naphthalene-2,7-disulfonic acid @en
pubchem: 66707
inchikey: VILFVXYKHXVYAB-UHFFFAOYSA-N
broader: CHEMONTID_0003601
in scheme: Conceptschema Chemische Stoffen
notation: Naf27Dsfzr

2,3,7-trimethyloctaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 62016-34-6
formula: C11H24
inchi: InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3
iupac name: 2,3,7-TRIMETHYLOCTANE @en
pubchem: 43867
smiles: CC(C)CCCC(C)C(C)C
inchikey: XJKKSYAVEVAGFX-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 237TC1yC8a

trans-fluoxastrobin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 361377-29-9
formula: C21H16ClFN4O5
iupac name: 1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine @en
pubchem: 11048796
inchikey: UFEODZBUAFNAEU-NLRVBDNBSA-N
broader: CHEMONTID_0002463
in scheme: Conceptschema Chemische Stoffen
notation: tfluoxsbn

spinosad
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 168316-95-8
formula: C42H71NO9
inchi: InChI=1S/C42H71NO9/c1-10-27-12-11-13-35(52-38-17-16-34(43(5)6)25(4)49-38)24(3)39(45)33-21-31-29(32(33)22-37(44)51-27)15-14-26-19-28(20-30(26)31)50-36-18-23(2)40(46-7)42(48-9)41(36)47-8/h23-36,38,40-42H,10-22H2,1-9H3
iupac name: 15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-(2,3,4-trimethoxy-5-methylcyclohexyl)oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosane-13,21-dione @en
pubchem: 91782
inchikey: RQOIAWYOVOXMST-UHFFFAOYSA-N
broader: CHEMONTID_0001675
in scheme: Conceptschema Chemische Stoffen
notation: spinsd

2,3,4,4-tetrachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 32598-10-0
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H
iupac name: 1,2-dichloro-4-(2,4-dichlorophenyl)benzene @en
pubchem: 36185
smiles: C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)Cl)Cl
inchikey: RKLLTEAEZIJBAU-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB66

formothion
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2540-82-1
formula: C6H12NO4PS2
inchi: InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3
iupac name: 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide @en
pubchem: 17345
smiles: CN(C=O)C(=O)CSP(=S)(OC)OC
inchikey: AIKKULXCBHRFOS-UHFFFAOYSA-N
broader: CHEMONTID_0001658
in scheme: Conceptschema Chemische Stoffen
notation: formton

isopropoxyethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 63992-09-6
cas number: 109-59-1
formula: C5H12O2
inchi: InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
iupac name: 2-propan-2-yloxyethanol @en
pubchem: 7996
smiles: CC(C)OCCO
inchikey: HCGFUIQPSOCUHI-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: ipropxC2ol

irbesartan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 138402-11-6
formula: C25H28N6O
inchi: InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
iupac name: 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one @en
pubchem: 3749
inchikey: YOSHYTLCDANDAN-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: irbstan

aminopyralid
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 150114-71-9
formula: C6H4Cl2N2O2
inchi: InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)
iupac name: 4-amino-3,6-dichloropyridine-2-carboxylic acid @en
pubchem: 213012
smiles: C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N
inchikey: NIXXQNOQHKNPEJ-UHFFFAOYSA-N
broader: CHEMONTID_0002414
in scheme: Conceptschema Chemische Stoffen
notation: Aoprld

benoxacor
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 98730-04-2
formula: C11H11Cl2NO2
inchi: InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
iupac name: 2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone @en
pubchem: 62306
smiles: CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl
inchikey: PFJJMJDEVDLPNE-UHFFFAOYSA-N
broader: CHEMONTID_0001396
in scheme: Conceptschema Chemische Stoffen
notation: benoacr

2,2',4,4',5-pentabroomdifenylether (bde99)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 32534-81-9
cas number: 60348-60-9
cas number: 132405-96-0
cas number: 134206-43-2
formula: C12H5Br5O
inchi: InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H
iupac name: 1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene @en
pubchem: 36159
inchikey: WHPVYXDFIXRKLN-UHFFFAOYSA-N
alternative label: bde 99
alternative label: 2,2',4,4',5-pentabroomdifenylether
alternative label: pentabroomdifenylether
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen
notation: PBDE99

thulium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7440-30-4
cas number: 69527-01-1
cas number: 29687-68-1
cas number: 110424-80-1
formula: Tm
inchi: InChI=1S/Tm
iupac name: THULIUM @en
pubchem: 23961
smiles: [Tm]
inchikey: FRNOGLGSGLTDKL-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Tm

chloorbromuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13360-45-7
formula: C9H10BrClN2O2
iupac name: 3-(4-Bromo-3-chlorophenyl)-1-methoxy-1-methylurea @en
pubchem: 25912
smiles: CN(C(=O)NC1=CC(=C(C=C1)Br)Cl)OC
inchikey: NLYNUTMZTCLNOO-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: Clbmrn

jodide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 20461-54-5
formula: I-
inchi: InChI=1S/HI/h1H/p-1
iupac name: Iodide @en
pubchem: 30165
smiles: [I-]
inchikey: XMBWDFGMSWQBCA-UHFFFAOYSA-M
broader: CHEMONTID_0000432
in scheme: Conceptschema Chemische Stoffen
notation: I

perfluor-n-octadecaanzuur (pfoda)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 16517-11-6
formula: C18HF35O2
inchi: InChI=1S/C18HF35O2/c19-2(20,1(54)55)3(21,22)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)53/h(H,54,55)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoic acid @en
pubchem: 167547
inchikey: ZTSDOGSKTICNPQ-UHFFFAOYSA-N
alternative label: perfluoroctadecaanzuur
alternative label: perfluor-n-octadecaanzuur
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: PFODA
notation: PFC18azr

benzylisopentylether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 122-73-6
formula: C12H18O
inchi: InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
iupac name: 3-methylbutoxymethylbenzene @en
pubchem: 31227
smiles: CC(C)CCOCC1=CC=CC=C1
inchikey: RXXCIBALSKQCAE-UHFFFAOYSA-N
broader: CHEMONTID_0002542
in scheme: Conceptschema Chemische Stoffen
notation: benziC5yEtr

1-butaanthiol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 23601-34-5
cas number: 109-79-5
cas number: 32812-85-4
formula: C4H10S
inchi: InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
iupac name: butane-1-thiol @en
pubchem: 8012
smiles: CCCCS
inchikey: WQAQPCDUOCURKW-UHFFFAOYSA-N
broader: CHEMONTID_0001212
in scheme: Conceptschema Chemische Stoffen
notation: 1C4atol

triisobutylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 126-71-6
formula: C12H27O4P
inchi: InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
iupac name: tris(2-methylpropyl) phosphate @en
pubchem: 31355
smiles: CC(C)COP(=O)(OCC(C)C)OCC(C)C
inchikey: HRKAMJBPFPHCSD-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: TiC4yPO4

tellurium 133
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15759-52-1
formula: Te
inchi: InChI=1S/Te/i1+5
iupac name: tellurium-133 @en
pubchem: 6337091
smiles: [Te]
inchikey: PORWMNRCUJJQNO-BKFZFHPZSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Te133

alfa-hydroxymetoprolol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 56392-16-6
formula: C15H25NO4
inchi: InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3
iupac name: 1-[4-(1-hydroxy-2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
pubchem: 114962
smiles: CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O
inchikey: OFRYBPCSEMMZHR-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: aHOxmtpll

aminomethylfosfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1066-51-9
formula: CH6NO3P
inchi: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
iupac name: AMINOMETHYLPHOSPHONIC ACID @en
pubchem: 14017
smiles: C(N)P(=O)(O)O
inchikey: MGRVRXRGTBOSHW-UHFFFAOYSA-N
alternative label: ampa
broader: CHEMONTID_0001302
in scheme: Conceptschema Chemische Stoffen
notation: AMPA

1-chloorpentaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 543-59-9
cas number: 29656-63-1
formula: C5H11Cl
inchi: InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
iupac name: 1-Chloropentane @en
pubchem: 10977
smiles: CCCCCCl
inchikey: SQCZQTSHSZLZIQ-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 1ClC5a

levamisol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 24593-45-1
cas number: 74191-78-9
cas number: 14769-73-4
cas number: 39170-95-1
cas number: 16595-80-5
formula: C11H13ClN2S
inchi: InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1
iupac name: (6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride @en
pubchem: 27944
smiles: C1CSC2=NC(CN21)C3=CC=CC=C3.Cl
inchikey: LAZPBGZRMVRFKY-HNCPQSOCSA-N
broader: CHEMONTID_0000756
in scheme: Conceptschema Chemische Stoffen
notation: levmsl

waterstoffluoride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 2.5.1 'fluorwaterstof'
comment: VLAR III (D3) 'HF'
comment: VLAR II (D5) 'HF'
comment: VLAR III (D3) 'waterstoffluoride(HF)'
cas number: 7664-39-3
cas number: 32057-09-3
cas number: 37249-79-9
formula: FH
inchi: InChI=1S/FH/h1H
iupac name: ['Hydrogen fluoride', 'hydron fluoride'] @en
pubchem: 14917
smiles: F
inchikey: KRHYYFGTRYWZRS-UHFFFAOYSA-N
is referenced by: LUC III 006
alternative label: waterstoffluoride (HF)
alternative label: waterstoffluoride (hf)
broader: CHEMONTID_0000548
in scheme: Conceptschema Chemische Stoffen
notation: HF

2-fenoxyethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 37220-49-8
cas number: 122-99-6
cas number: 56257-90-0
cas number: 79586-53-1
cas number: 18249-17-7
cas number: 134367-25-2
cas number: 200260-63-5
cas number: 9004-78-8
formula: C8H10O2
inchi: InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
iupac name: 2-(phenoxy)ethanol @en
pubchem: 31236
smiles: C1=CC=C(C=C1)OCCO
inchikey: QCDWFXQBSFUVSP-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: 2fenOxC2ol

ceftriaxon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 73384-59-5
cas number: 74578-69-1
formula: C18H17N8NaO7S3
inchi: InChI=1S/C18H18N8O7S3.Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);/q;+1/p-1/b24-8-;/t9-,15-;/m1./s1
iupac name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
pubchem: 9570832
inchikey: YOBPSXOHCHDCMU-VKZZUTNHSA-M
broader: CHEMONTID_0001189
in scheme: Conceptschema Chemische Stoffen
notation: cefTaxn

5-cholestene
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 570-74-1
formula: C27H46
inchi: InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3
iupac name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene @en
pubchem: 11300
inchikey: DTGDZMYNKLTSKC-UHFFFAOYSA-N
broader: CHEMONTID_0003566
in scheme: Conceptschema Chemische Stoffen
notation: 5choletne

bismuth 212
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14913-49-6
formula: Bi
inchi: InChI=1S/Bi/i1+3
iupac name: bismuth-212 @en
pubchem: 6335500
smiles: [Bi]
inchikey: JCXGWMGPZLAOME-AKLPVKDBSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Bi212

1-hexadeceen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 629-73-2
cas number: 26952-14-7
cas number: 68855-59-4
formula: C16H32
inchi: InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
iupac name: hexadec-1-ene @en
pubchem: 12395
smiles: CCCCCCCCCCCCCCC=C
inchikey: GQEZCXVZFLOKMC-UHFFFAOYSA-N
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 1C16e

amidotrizoïnezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 117-96-4
formula: C11H9I3N2O4
inchi: InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)
iupac name: 3,5-Diacetamido-2,4,6-triiodobenzoic acid @en
pubchem: 2140
inchikey: YVPYQUNUQOZFHG-UHFFFAOYSA-N
broader: CHEMONTID_0003097
in scheme: Conceptschema Chemische Stoffen
notation: amdTzinzr

terbufos-sulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 56070-16-7
formula: C9H21O4PS3
inchi: InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3
iupac name: tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
pubchem: 41718
smiles: CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
inchikey: DWZSTEUTHNUVQD-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: terbfsfn

endosulfanlacton
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3868-61-9
formula: C9H4Cl6O2
inchi: InChI=1S/C9H4Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3H,1H2
iupac name: 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one @en
pubchem: 145710
inchikey: GIUKJJMBQBRFTN-UHFFFAOYSA-N
broader: CHEMONTID_0001245
in scheme: Conceptschema Chemische Stoffen
notation: endsfltn

2,2',3,3',4,5,6-heptachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 40186-70-7
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-4-1-5(10(17)7(15)2-4)9-6(14)3-8(16)11(18)12(9)19/h1-3H
iupac name: 1,2,3,5-tetrachloro-4-(2,3,5-trichlorophenyl)benzene @en
pubchem: 91633
inchikey: KJBDZJFSYQUNJT-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB175

fluazolaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 174514-07-9
formula: C15H12BrClF4N2O2
iupac name: propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate @en
pubchem: 3083545
inchikey: FKLQIONHGSFYJY-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: fluazlt

hydramethylnon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 67485-29-4
cas number: 70829-12-8
formula: C25H24F6N4
inchi: InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+
iupac name: ['N-[1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylideneamino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine', 'N-[[(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene]amino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine'] @en
pubchem: 5281875
inchikey: IQVNEKKDSLOHHK-FNCQTZNRSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: hydC1ynn

flurprimidol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 56425-91-3
cas number: 77125-41-8
formula: C15H15F3N2O2
inchi: InChI=1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3
iupac name: 2-methyl-1-pyrimidin-5-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol @en
pubchem: 73668
inchikey: VEVZCONIUDBCDC-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: flurpmdl

cymiazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 61676-87-7
formula: C12H14N2S
inchi: InChI=1S/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3
iupac name: N-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-imine @en
pubchem: 43714
smiles: CC1=CC(=C(C=C1)N=C2N(C=CS2)C)C
inchikey: YUAUPYJCVKNAEC-UHFFFAOYSA-N
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: cymazl

2,6-dichloor-4-nitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 58916-70-4
cas number: 99-30-9
formula: C6H4Cl2N2O2
inchi: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
iupac name: 2,6-Dichloro-4-nitroaniline @en
pubchem: 7430
smiles: C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
inchikey: BIXZHMJUSMUDOQ-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 26DCl4NO2An

butocarboximsulfoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 34681-24-8
formula: C7H14N2O3S
inchi: InChI=1S/C7H14N2O3S/c1-5(6(2)13(4)11)9-12-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+
iupac name: (3-methylsulfinylbutan-2-ylideneamino) N-methylcarbamate @en
pubchem: 9576739
smiles: CC(C(=NOC(=O)NC)C)S(=O)C
inchikey: RCTCYOQIGNPQJH-WEVVVXLNSA-N
broader: CHEMONTID_0004752
in scheme: Conceptschema Chemische Stoffen
notation: butcbOxmSO

zwavelhexafluoride (SF6)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II (D1, definities broeikasgassen)
cas number: 36575-03-8
cas number: 2551-62-4
cas number: 29267-82-1
cas number: 59109-69-2
formula: F6S
inchi: InChI=1S/F6S/c1-7(2,3,4,5)6
iupac name: hexafluoro-lambda6-sulfane @en
pubchem: 17358
smiles: FS(F)(F)(F)(F)F
inchikey: SFZCNBIFKDRMGX-UHFFFAOYSA-N
alternative label: zwavelhexafluoride (sf6)
alternative label: zwavelhexafluoride
broader: CHEMONTID_0000437
in scheme: Conceptschema Chemische Stoffen
notation: SF6

octachloorstyreen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 62601-62-1
cas number: 29082-74-4
formula: C8Cl8
inchi: InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12
iupac name: 1,2,3,4,5-pentachloro-6-(1,2,2-trichloroethenyl)benzene @en
pubchem: 34466
inchikey: RUYUCCQRWINUHE-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: OcClsrn

kalium 40
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13966-00-2
formula: K
inchi: InChI=1S/K/i1+1
iupac name: potassium-40 @en
pubchem: 6328542
smiles: [K]
inchikey: ZLMJMSJWJFRBEC-OUBTZVSYSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: K40

5,6-dimethyl-1h-benzotriazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 4184-79-6
formula: C8H9N3
inchi: InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)
iupac name: 5,6-dimethyl-2H-benzotriazole @en
pubchem: 77849
smiles: CC1=CC2=NNN=C2C=C1C
inchikey: MVPKIPGHRNIOPT-UHFFFAOYSA-N
alternative label: 5,6-dimethyl-1H-benzotriazool
broader: CHEMONTID_0000315
in scheme: Conceptschema Chemische Stoffen
notation: 56DC1y1Hbzt2

titaandioxide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 39360-64-0
cas number: 37230-94-7
cas number: 221548-98-7
cas number: 39320-58-6
cas number: 195740-11-5
cas number: 37230-96-9
cas number: 12789-63-8
cas number: 39379-02-7
cas number: 101239-53-6
cas number: 55068-84-3
cas number: 13463-67-7
cas number: 62338-64-1
cas number: 246178-32-5
cas number: 55068-85-4
cas number: 185828-91-5
cas number: 1344-29-2
cas number: 1317-70-0
cas number: 12701-76-7
cas number: 252962-41-7
cas number: 98084-96-9
cas number: 1317-80-2
cas number: 1309-63-3
cas number: 188357-76-8
cas number: 37230-92-5
cas number: 224963-00-2
cas number: 37230-95-8
cas number: 185323-71-1
cas number: 12767-65-6
cas number: 12036-20-3
cas number: 188357-79-1
cas number: 116788-85-3
cas number: 12000-59-8
formula: O2Ti
inchi: InChI=1S/2O.Ti
iupac name: dioxotitanium @en
pubchem: 26042
smiles: O=[Ti]=O
inchikey: GWEVSGVZZGPLCZ-UHFFFAOYSA-N
is referenced by: WAC III B 002
broader: CHEMONTID_0000538
in scheme: Conceptschema Chemische Stoffen
notation: TiO2

tetrachloorvinfos (mixed isomeren)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 22248-79-9
cas number: 961-11-5
formula: C10H9Cl4O4P
inchi: InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+
iupac name: [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate @en
pubchem: 5842000
inchikey: UBCKGWBNUIFUST-BJMVGYQFSA-N
alternative label: cis-tetrachloorvinfos (Z-isomeer)
alternative label: cis-tetrachloorvinfos (z-isomeer)
alternative label: tetrachloorvinfos
broader: CHEMONTID_0000037
in scheme: Conceptschema Chemische Stoffen
notation: cT4Clvfs
notation: T4Clvfs

2,2',4,5'-tetrabroombifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 60044-24-8
formula: C12H6Br4
inchi: InChI=1S/C12H6Br4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H
iupac name: 1,2,4-tribromo-5-(2-bromophenyl)benzene @en
pubchem: 3017170
smiles: C1=CC=C(C(=C1)C2=CC(=C(C=C2Br)Br)Br)Br
inchikey: PALAXWMMBSLIDB-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: PBB49

(2,4,5-trichloorfenoxy)azijnzuur (2,4,5-t)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 93-76-5
formula: C8H5Cl3O3
inchi: InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
iupac name: 2-(2,4,5-trichlorophenoxy)acetic acid @en
pubchem: 1480
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O
inchikey: SMYMJHWAQXWPDB-UHFFFAOYSA-N
alternative label: 2,4,5-trichloorfenoxyazijnzuur
alternative label: (2,4,5-trichloorfenoxy)-azijnzuur (2,4,5-t)
broader: CHEMONTID_0004525
in scheme: Conceptschema Chemische Stoffen
notation: 245T

3-methyl-1,2-cyclopentaandion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 79299-96-0
cas number: 765-70-8
formula: C6H8O2
inchi: InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
iupac name: 3-Methylcyclopentane-1,2-dione @en
pubchem: 61209
smiles: CC1CCC(=O)C1=O
inchikey: OACYKCIZDVVNJL-UHFFFAOYSA-N
broader: CHEMONTID_0003487
in scheme: Conceptschema Chemische Stoffen
notation: 3C1y12ccC5aD

3,4,5-trimethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1639-31-2
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3
iupac name: 3,4,5-Trimethylaniline @en
pubchem: 74227
smiles: CC1=CC(=CC(=C1C)C)N
inchikey: BXCUMAUHMPSRPZ-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 345TC1yAn

2,4-dimethylquinoline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1198-37-4
formula: C11H11N
inchi: InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3
iupac name: 2,4-Dimethylquinoline @en
pubchem: 14536
smiles: CC1=CC(=NC2=CC=CC=C12)C
inchikey: ZTNANFDSJRRZRJ-UHFFFAOYSA-N
broader: CHEMONTID_0001253
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1yqnlne

1,3,5-trichloor-2,4,6-trimethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 5324-68-5
formula: C9H9Cl3
inchi: InChI=1S/C9H9Cl3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3
iupac name: 1,3,5-Trichloro-2,4,6-trimethylbenzene @en
pubchem: 138452
smiles: CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl
inchikey: VMNISWKTOHUZQN-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: 135TCl246TC1

mebeverine amine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14367-46-5
formula: C12H19NO
inchi: InChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3
iupac name: N-ethyl-1-(4-methoxyphenyl)propan-2-amine @en
pubchem: 85725
smiles: CCNC(C)CC1=CC=C(C=C1)OC
inchikey: USBWBBAUWVUJLA-UHFFFAOYSA-N
broader: CHEMONTID_0000188
in scheme: Conceptschema Chemische Stoffen
notation: mebvrnAm

tripropyleenglycol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 24800-44-0
formula: C9H20O4
inchi: InChI=1S/C9H20O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7-11H,4-6H2,1-3H3
iupac name: 1-[1-(1-hydroxypropoxy)propan-2-yloxy]propan-1-ol @en
pubchem: 22833317
smiles: CCC(O)OCC(C)OC(CC)O
inchikey: SNAJJYBUNRAGEF-UHFFFAOYSA-N
broader: CHEMONTID_0001092
in scheme: Conceptschema Chemische Stoffen
notation: TC3yegcl

d-glucitol, gepropoxyleerd
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 77108-21-5
cas number: 9044-18-2
cas number: 54538-29-3
cas number: 137331-90-9
cas number: 9063-27-8
cas number: 55500-89-5
cas number: 25776-41-4
cas number: 11119-96-3
cas number: 65455-14-3
cas number: 60454-51-5
cas number: 9041-10-5
cas number: 85113-87-7
cas number: 52625-13-5
cas number: 109224-17-1
cas number: 37324-91-7
formula: C24H50O12
inchi: InChI=1S/C24H50O12/c25-7-1-13-31-19-21(33-15-3-9-27)23(35-17-5-11-29)24(36-18-6-12-30)22(34-16-4-10-28)20-32-14-2-8-26/h21-30H,1-20H2
iupac name: 3-[1,2,4,5,6-pentakis(3-hydroxypropoxy)hexan-3-yloxy]propan-1-ol @en
pubchem: 171178
inchikey: OJZGCEDLMNSDNY-UHFFFAOYSA-N
alternative label: D-glucitol, gepropoxyleerd
broader: CHEMONTID_0001540
in scheme: Conceptschema Chemische Stoffen
notation: Dgluctgprop

2,4-diamino-6-nitrotolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 6629-29-4
formula: C7H9N3O2
inchi: InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3
iupac name: 4-methyl-5-nitrobenzene-1,3-diamine @en
pubchem: 96177
smiles: CC1=C(C=C(C=C1[N+](=O)[O-])N)N
inchikey: DFZSBQYOXAUYCB-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 24DAo6NO2Tol

triflumizool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 99387-89-0
cas number: 68694-11-1
formula: C15H15ClF3N3O
iupac name: N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine @en
pubchem: 91699
inchikey: HSMVPDGQOIQYSR-UHFFFAOYSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: Tfmzl

5-methyl-2-hexanon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 110-12-3
formula: C7H14O
inchi: InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
iupac name: 5-Methylhexan-2-one @en
pubchem: 8034
smiles: CC(C)CCC(=O)C
inchikey: FFWSICBKRCICMR-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 5C1y2C6on

triisopropylfosfaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 513-02-0
formula: C9H21O4P
inchi: InChI=1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3
iupac name: ['tripropan-2-yl phosphate', 'hydroxy-tri(propan-2-yloxy)phosphanium'] @en
pubchem: 68188
smiles: CC(C)OP(=O)(OC(C)C)OC(C)C
inchikey: OXFUXNFMHFCELM-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: TiC3yPO4

rubidium 86
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14932-53-7
formula: Rb
inchi: InChI=1S/Rb/i1+1
iupac name: rubidium-86 @en
pubchem: 6335499
smiles: [Rb]
inchikey: IGLNJRXAVVLDKE-OUBTZVSYSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Rb86

trichloormethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'trichloormethaan'
comment: , (syn: trichloormethaan)
cas number: 8013-54-5
cas number: 67-66-3
formula: CHCl3
inchi: InChI=1S/CHCl3/c2-1(3)4/h1H
iupac name: Chloroform @en
pubchem: 6212
smiles: C(Cl)(Cl)Cl
inchikey: HEDRZPFGACZZDS-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 002
alternative label: trichloormethaan (chloroform)
alternative label: chloroform
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: TClC1a

5-chloor-2-methyl-2H-isothiazool-3-on
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 26172-55-4
cas number: 26530-03-0
cas number: 116680-96-7
formula: C4H5Cl2NOS
inchi: InChI=1S/C4H4ClNOS.ClH/c1-6-4(7)2-3(5)8-6;/h2H,1H3;1H
iupac name: 5-chloro-2-methyl-1,2-thiazol-3-one hydrochloride @en
pubchem: 117809
smiles: CN1C(=O)C=C(S1)Cl.Cl
inchikey: RGVYUPIYFIVQDS-UHFFFAOYSA-N
alternative label: 5-chloor-2-methyl-2h-isothiazool-3-on
broader: CHEMONTID_0001030
in scheme: Conceptschema Chemische Stoffen
notation: 5Cl2C1y2Hita

o-allylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 26761-75-1
cas number: 1745-81-9
formula: C9H10O
inchi: InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
iupac name: 2-prop-2-enylphenol @en
pubchem: 15624
smiles: C=CCC1=CC=CC=C1O
inchikey: QIRNGVVZBINFMX-UHFFFAOYSA-N
broader: CHEMONTID_0004647
in scheme: Conceptschema Chemische Stoffen
notation: oallFol

diethyltoluamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 94271-03-1
cas number: 134-62-3
formula: C12H17NO
inchi: InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
iupac name: N,N-Diethyl-3-methylbenzamide @en
pubchem: 4284
smiles: CCN(CC)C(=O)C1=CC=CC(=C1)C
inchikey: MMOXZBCLCQITDF-UHFFFAOYSA-N
broader: CHEMONTID_0004223
in scheme: Conceptschema Chemische Stoffen
notation: DEET

kobalt 60
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 10198-40-0
formula: Co
inchi: InChI=1S/Co/i1+1
iupac name: cobalt-60 @en
pubchem: 61492
smiles: [Co]
inchikey: GUTLYIVDDKVIGB-OUBTZVSYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Co60

ethiolaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2941-55-1
formula: C7H15NOS
inchi: InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
iupac name: S-ethyl diethylaminomethanethioate @en
pubchem: 18055
smiles: CCN(CC)C(=O)SCC
inchikey: WARIWGPBHKPYON-UHFFFAOYSA-N
broader: CHEMONTID_0001368
in scheme: Conceptschema Chemische Stoffen
notation: etolt

plutonium 237
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15411-93-5
formula: Pu
inchi: InChI=1S/Pu/i1-7
iupac name: plutonium-237 @en
pubchem: 105138
smiles: [Pu]
inchikey: OYEHPCDNVJXUIW-NOHWODKXSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Pu237

11-decyltetracosaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55429-84-0
formula: C34H70
inchi: InChI=1S/C34H70/c1-4-7-10-13-16-19-20-21-24-27-30-33-34(31-28-25-22-17-14-11-8-5-2)32-29-26-23-18-15-12-9-6-3/h34H,4-33H2,1-3H3
iupac name: 11-decyltetracosane @en
pubchem: 294707
smiles: CCCCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC
inchikey: BVMGLUHWZZEDRX-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 11C10yC24a

diosgenin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 512-04-9
formula: C27H42O3
inchi: InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
iupac name: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol @en
pubchem: 99474
inchikey: WQLVFSAGQJTQCK-VKROHFNGSA-N
broader: CHEMONTID_0001553
in scheme: Conceptschema Chemische Stoffen
notation: diognn

2-octyl-2h-isothiazool-3-on
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 12673-72-2
cas number: 53028-82-3
cas number: 122667-23-6
cas number: 26530-20-1
formula: C11H19NOS
inchi: InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
iupac name: 2-octyl-1,2-thiazol-3-one @en
pubchem: 33528
smiles: CCCCCCCCN1C(=O)C=CS1
inchikey: JPMIIZHYYWMHDT-UHFFFAOYSA-N
alternative label: 2-octyl-2H-isothiazool-3-on
broader: CHEMONTID_0000095
in scheme: Conceptschema Chemische Stoffen
notation: 2C8y2Hitaz3o

1-nonadeceen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 18435-45-5
cas number: 27400-77-7
formula: C19H38
inchi: InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3
iupac name: Nonadec-1-ene @en
pubchem: 29075
smiles: CCCCCCCCCCCCCCCCCC=C
inchikey: NHLUYCJZUXOUBX-UHFFFAOYSA-N
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 1C19e

cupferron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 21255-91-4
cas number: 148-97-0
cas number: 135-20-6
cas number: 7564-70-7
formula: C6H9N3O2
inchi: InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3
iupac name: azane; N-hydroxy-N-phenylnitrous amide @en
pubchem: 8664
smiles: C1=CC=C(C=C1)N(N=O)O.N
inchikey: NJVHCUNZAMFQNA-UHFFFAOYSA-N
broader: CHEMONTID_0000113
in scheme: Conceptschema Chemische Stoffen
notation: cupfrn

thorium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7440-29-1
cas number: 24738-30-5
cas number: 15117-56-3
formula: Th
inchi: InChI=1S/Th
iupac name: THORIUM @en
pubchem: 23960
smiles: [Th]
inchikey: ZSLUVFAKFWKJRC-UHFFFAOYSA-N
alternative label: thorium 232
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Th232
notation: Th

nobelium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10028-14-5
formula: No
inchi: InChI=1S/No
iupac name: NOBELIUM @en
pubchem: 24822
smiles: [No]
inchikey: ORQBXQOJMQIAOY-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: No

pentachloornitrobenzeen (quintozeen)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 56573-57-0
cas number: 39378-26-2
cas number: 55353-34-9
cas number: 82-68-8
formula: C6Cl5NO2
inchi: InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
iupac name: 1,2,3,4,5-pentachloro-6-nitrobenzene @en
pubchem: 6720
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
inchikey: LKPLKUMXSAEKID-UHFFFAOYSA-N
alternative label: pentachloornitrobenzeen
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: PeClNO2Ben

protactinium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7440-13-3
formula: Pa
inchi: InChI=1S/Pa
iupac name: PROTACTINIUM @en
pubchem: 23945
smiles: [Pa]
inchikey: XLROVYAPLOFLNU-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Pa

propyleenglycolmonomethyletheracetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 108-65-6
cas number: 142300-82-1
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3
iupac name: 1-methoxypropan-2-yl acetate @en
pubchem: 7946
smiles: CC(COC)OC(=O)C
inchikey: LLHKCFNBLRBOGN-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: PGMEA

azimsulfuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 120162-55-2
formula: C13H16N10O5S
inchi: InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea @en
pubchem: 86355
inchikey: MAHPNPYYQAIOJN-UHFFFAOYSA-N
broader: CHEMONTID_0004705
in scheme: Conceptschema Chemische Stoffen
notation: azsfrn

polonium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 56797-55-8
cas number: 7440-08-6
formula: Po
inchi: InChI=1S/Po
iupac name: POLONIUM @en
pubchem: 6328143
smiles: [Po]
inchikey: HZEBHPIOVYHPMT-UHFFFAOYSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Po

mirex
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 12707-43-6
cas number: 2385-85-5
cas number: 12557-88-9
cas number: 56449-78-6
cas number: 20594-49-4
cas number: 12766-04-0
formula: C10Cl12
inchi: InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18
iupac name: 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane @en
pubchem: 16945
inchikey: GVYLCNUFSHDAAW-UHFFFAOYSA-N
broader: CHEMONTID_0001549
in scheme: Conceptschema Chemische Stoffen
notation: mirx

dibutylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 111-92-2
cas number: 71230-78-9
formula: C8H19N
inchi: InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3
iupac name: N-butylbutan-1-amine @en
pubchem: 8148
smiles: CCCCNCCCC
inchikey: JQVDAXLFBXTEQA-UHFFFAOYSA-N
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: DC4yAe

dibutylnitrosamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 924-16-3
formula: C8H18N2O
inchi: InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3
iupac name: N,N-dibutylnitrous amide @en
pubchem: 13542
smiles: CCCCN(CCCC)N=O
inchikey: YGJHZCLPZAZIHH-UHFFFAOYSA-N
broader: CHEMONTID_0004777
in scheme: Conceptschema Chemische Stoffen
notation: DC4yNOAe

dimethylisoftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1459-93-4
formula: C10H10O4
inchi: InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
iupac name: dimethyl benzene-1,3-dicarboxylate @en
pubchem: 15088
smiles: COC(=O)C1=CC(=CC=C1)C(=O)OC
inchikey: VNGOYPQMJFJDLV-UHFFFAOYSA-N
broader: CHEMONTID_0004010
in scheme: Conceptschema Chemische Stoffen
notation: DC1yiFt

foxim
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14816-18-3
formula: C12H15N2O3PS
inchi: InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+
iupac name: N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide @en
pubchem: 9570290
smiles: CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1
inchikey: ATROHALUCMTWTB-WYMLVPIESA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: fOxm

sulfosulfuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 141776-32-1
formula: C16H18N6O7S2
inchi: InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-(2-ethylsulfonylimidazo[3,2-a]pyridin-3-yl)sulfonylurea @en
pubchem: 86426
inchikey: RBSXHDIPCIWOMG-UHFFFAOYSA-N
broader: CHEMONTID_0004705
in scheme: Conceptschema Chemische Stoffen
notation: sulfsfrn

prednisolon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 50-24-8
cas number: 58201-11-9
cas number: 8056-11-9
formula: C21H28O5
inchi: InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
iupac name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one @en
pubchem: 5755
inchikey: OIGNJSKKLXVSLS-VWUMJDOOSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: prednsln

Isopropylamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 85404-24-6
cas number: 75-31-0
formula: C3H9N
inchi: InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
iupac name: propan-2-amine @en
pubchem: 6363
smiles: CC(C)N
inchikey: JJWLVOIRVHMVIS-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: iC3yAe

ethyleendiamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 460-19-5
cas number: 15808-32-9
cas number: 27308-78-7
cas number: 8030-24-8
cas number: 107-15-3
cas number: 85404-18-8
cas number: 68845-05-6
cas number: 211750-61-7
cas number: 2074-87-5
formula: C2H8N2
inchi: InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
iupac name: ['ethane-1,2-diamine', 'ethyne-1,2-diamine', 'Oxalonitrile'] @en
pubchem: 3301
smiles: C(CN)N
inchikey: PIICEJLVQHRZGT-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: C2yeDAe

duloxetine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 116539-59-4
formula: C18H19NOS
inchi: InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
iupac name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine @en
pubchem: 60835
smiles: CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32
inchikey: ZEUITGRIYCTCEM-KRWDZBQOSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: dulxtne

2-ethylidene-1,5-dimethyl-3,3-difenylpyrrolidine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 57195-65-0
cas number: 30223-73-5
formula: C20H23N
inchi: InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4-
iupac name: (2Z)-2-ethylidene-1,5-dimethyl-3,3-di(phenyl)pyrrolidine @en
pubchem: 5378015
inchikey: AJRJPORIQGYFMT-PVOVUMCXSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yid15DC1y

melem
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1502-47-2
formula: C6H6N10
inchi: InChI=1S/C6H6N10/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6/h(H6,7,8,9,10,11,12,13,14,15)
iupac name: 11-imino-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,7,9-pentaene-3,7-diamine @en
pubchem: 73919
smiles: C1(=NC2=NC(=N)N=C3N2C(=NC(=N3)N)N1)N
inchikey: YSRVJVDFHZYRPA-UHFFFAOYSA-N
broader: CHEMONTID_0001693
in scheme: Conceptschema Chemische Stoffen
notation: melm

fenthion-oxon-sulfoxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 6552-13-2
formula: C10H15O5PS
inchi: InChI=1S/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3
iupac name: dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate @en
pubchem: 23047
smiles: CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)C
inchikey: GTZCKTIZOGTWQO-UHFFFAOYSA-N
broader: CHEMONTID_0004632
in scheme: Conceptschema Chemische Stoffen
notation: fentoOosfOxd

tebuconazol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 80443-41-0
cas number: 107534-96-3
formula: C16H22ClN3O
inchi: InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
iupac name: 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol @en
pubchem: 86102
inchikey: PXMNMQRDXWABCY-UHFFFAOYSA-N
alternative label: tebuconazole
broader: CHEMONTID_0000014
in scheme: Conceptschema Chemische Stoffen
notation: tebcnzl

2-(2-methoxyethoxy)ethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 111-77-3
formula: C5H12O3
inchi: InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
iupac name: 2-(2-Methoxyethoxy)ethanol @en
pubchem: 8134
smiles: COCCOCCO
inchikey: SBASXUCJHJRPEV-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 22C1oxC2oxC2

aluminium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 91728-14-2
cas number: 7429-90-5
cas number: 80341-19-1
cas number: 113962-66-6
cas number: 12766-45-9
cas number: 39332-62-2
cas number: 37202-64-5
cas number: 182260-45-3
cas number: 39302-71-1
formula: Al
inchi: InChI=1S/Al
iupac name: ALUMINUM @en
pubchem: 5359268
smiles: [Al]
inchikey: XAGFODPZIPBFFR-UHFFFAOYSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Al

zilver 111
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15760-04-0
formula: Ag
inchi: InChI=1S/Ag/i1+3
iupac name: silver-111 @en
pubchem: 161148
smiles: [Ag]
inchikey: BQCADISMDOOEFD-AKLPVKDBSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ag111

natriumchloraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7775-09-9
cas number: 11096-45-0
cas number: 9011-70-5
cas number: 38869-73-7
cas number: 38869-74-8
formula: ClNaO3
inchi: InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
iupac name: Sodium chlorate @en
pubchem: 24487
smiles: [O-]Cl(=O)=O.[Na+]
inchikey: YZHUMGUJCQRKBT-UHFFFAOYSA-M
broader: CHEMONTID_0000632
in scheme: Conceptschema Chemische Stoffen
notation: NaClO3

nikkelsulfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 139939-67-6
cas number: 7786-81-4
formula: NiO4S
inchi: InChI=1S/Ni.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
iupac name: nickel(+2) cation sulfate @en
pubchem: 24586
smiles: [O-]S(=O)(=O)[O-].[Ni+2]
inchikey: LGQLOGILCSXPEA-UHFFFAOYSA-L
broader: CHEMONTID_0000858
in scheme: Conceptschema Chemische Stoffen
notation: NiSO4

dinoseb-acetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2813-95-8
formula: C12H14N2O6
inchi: InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3
iupac name: (2-butan-2-yl-4,6-dinitrophenyl) acetate @en
pubchem: 17776
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C
inchikey: RDJTWDKSYLLHRW-UHFFFAOYSA-N
broader: CHEMONTID_0002319
in scheme: Conceptschema Chemische Stoffen
notation: Dnsactt

hexyleen glycol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 99113-75-4
cas number: 107-41-5
formula: C6H14O2
inchi: InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
iupac name: 2-Methylpentane-2,4-diol @en
pubchem: 7870
smiles: CC(CC(C)(C)O)O
inchikey: SVTBMSDMJJWYQN-UHFFFAOYSA-N
broader: CHEMONTID_0001670
in scheme: Conceptschema Chemische Stoffen
notation: C6yegcl

diflufenican
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 83164-33-4
formula: C19H11F5N2O2
inchi: InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
iupac name: N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide @en
pubchem: 91735
inchikey: WYEHFWKAOXOVJD-UHFFFAOYSA-N
broader: CHEMONTID_0004712
in scheme: Conceptschema Chemische Stoffen
notation: Dffncn

gadopentetinezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 86050-77-3
cas number: 80529-93-7
formula: C28H54GdN5O20
inchi: InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1
iupac name: 2-[bis[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol @en
pubchem: 55466
smiles: CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3]
inchikey: LGMLJQFQKXPRGA-VPVMAENOSA-K
broader: CHEMONTID_0002995
in scheme: Conceptschema Chemische Stoffen
notation: gadpttnzr

2-methyl-5-nitroimidazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 88054-22-2
cas number: 696-23-1
cas number: 100215-29-0
formula: C4H5N3O2
inchi: InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
iupac name: 2-methyl-4-nitro-3H-imidazole @en
pubchem: 12760
smiles: CC1=NC=C(N1)[N+](=O)[O-]
inchikey: FFYTTYVSDVWNMY-UHFFFAOYSA-N
broader: CHEMONTID_0000242
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y5NO2imdz

diclazuril
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 101831-37-2
formula: C17H9Cl3N4O2
inchi: InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)
iupac name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile @en
pubchem: 456389
inchikey: ZSZFUDFOPOMEET-UHFFFAOYSA-N
broader: CHEMONTID_0001527
in scheme: Conceptschema Chemische Stoffen
notation: diczrl

2,4,6-tris(1-fenylethyl)fenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 18254-13-2
formula: C30H30O
inchi: InChI=1S/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(31)29(20-27)23(3)26-17-11-6-12-18-26/h4-23,31H,1-3H3
iupac name: 2,4,6-Tris(1-phenylethyl)phenol @en
pubchem: 86688
inchikey: BYLSIPUARIZAHZ-UHFFFAOYSA-N
broader: CHEMONTID_0002651
in scheme: Conceptschema Chemische Stoffen
notation: 246T1FyC2yFo

2-chloor-5-methylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-81-8
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
iupac name: 2-Chloro-5-methylaniline @en
pubchem: 66770
smiles: CC1=CC(=C(C=C1)Cl)N
inchikey: HPSCXFOQUFPEPE-UHFFFAOYSA-N
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl5C1yAn

furmecyclox
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 60568-05-0
formula: C14H21NO3
inchi: InChI=1S/C14H21NO3/c1-10-9-13(11(2)18-10)14(16)15(17-3)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3
iupac name: N-cyclohexyl-N-methoxy-2,5-dimethylfuran-3-carboxamide @en
pubchem: 43359
smiles: CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC
inchikey: QTDRLOKFLJJHTG-UHFFFAOYSA-N
broader: CHEMONTID_0004759
in scheme: Conceptschema Chemische Stoffen
notation: furmccx

tecnazeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 28804-67-3
cas number: 117-18-0
formula: C6HCl4NO2
inchi: InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
iupac name: 1,2,4,5-Tetrachloro-3-nitrobenzene @en
pubchem: 8330
smiles: C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl
inchikey: XQTLDIFVVHJORV-UHFFFAOYSA-N
alternative label: 2,3,5,6-tetrachloornitrobenzeen
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: tecnzn

2,2',3,3',5,5',6-heptachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 52663-67-9
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-4-1-5(10(17)6(14)2-4)9-11(18)7(15)3-8(16)12(9)19/h1-3H
iupac name: 1,2,4,5-tetrachloro-3-(2,3,5-trichlorophenyl)benzene @en
pubchem: 40474
inchikey: WCIBKXHMIXUQHK-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB178

1-broom-3-chloor-5,5-dimethylhidantoïne
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 16079-88-2
formula: C5H6BrClN2O2
inchi: InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3
iupac name: 1-BROMO-3-CHLORO-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE @en
pubchem: 61828
smiles: CC1(C(=O)N(C(=O)N1Br)Cl)C
inchikey: PIEXCQIOSMOEOU-UHFFFAOYSA-N
broader: CHEMONTID_0002273
in scheme: Conceptschema Chemische Stoffen
notation: BCDMH

nicosulfuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 111991-09-4
formula: C15H18N6O6S
inchi: InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)
iupac name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide @en
pubchem: 73281
inchikey: RTCOGUMHFFWOJV-UHFFFAOYSA-N
broader: CHEMONTID_0001861
in scheme: Conceptschema Chemische Stoffen
notation: nicsfrn

2,3-dioctylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 29988-16-7
formula: C22H38O
inchi: InChI=1S/C22H38O/c1-3-5-7-9-11-13-16-20-17-15-19-22(23)21(20)18-14-12-10-8-6-4-2/h15,17,19,23H,3-14,16,18H2,1-2H3
iupac name: 2,3-dioctylphenol @en
pubchem: 121608
smiles: CCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCC
inchikey: IXKVYSRDIVLASR-UHFFFAOYSA-N
broader: CHEMONTID_0004647
in scheme: Conceptschema Chemische Stoffen
notation: 23DC8yFol

dichlofluanide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1085-98-9
cas number: 90416-56-1
cas number: 12698-56-5
cas number: 56590-61-5
cas number: 79235-99-7
formula: C9H11Cl2FN2O2S2
iupac name: N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)aniline @en
pubchem: 14145
smiles: CN(C)S(=O)(=O)N(C1=CC=CC=C1)SC(F)(Cl)Cl
inchikey: WURGXGVFSMYFCG-UHFFFAOYSA-N
broader: CHEMONTID_0000038
in scheme: Conceptschema Chemische Stoffen
notation: Dcfande

cinchofen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 132-60-5
formula: C16H11NO2
inchi: InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)
iupac name: 2-Phenylquinoline-4-carboxylic acid @en
pubchem: 8593
inchikey: YTRMTPPVNRALON-UHFFFAOYSA-N
broader: CHEMONTID_0002348
in scheme: Conceptschema Chemische Stoffen
notation: cincfn

2,3,4',6-tetrachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52663-58-8
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)11-9(14)5-6-10(15)12(11)16/h1-6H
iupac name: 1,2,4-trichloro-3-(4-chlorophenyl)benzene @en
pubchem: 63110
smiles: C1=CC(=CC=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl
inchikey: FXRXQYZZALWWGA-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB64

c.i. direct blue 14
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 72-57-1
cas number: 179472-55-0
formula: C34H24N6Na4O14S4
iupac name: tetrasodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate @en
pubchem: 9562061
inchikey: WMYVHJWZUUEZNE-ARWFNKCKSA-J
alternative label: C.I. Direct Blue 14
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: cidbe14

PCB 105
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 32598-14-4
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H
iupac name: 1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene @en
pubchem: 36188
inchikey: WIDHRBRBACOVOY-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 2,3,3',4,4'-pentachloorbifenyl (pcb105)
alternative label: 2,3,3',4,4'-pentachloorbifenyl
alternative label: pcb 105
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB105

octadecyl 3-(3,5-di-tert-butyl-4-hydroxyfenyl)propanoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 109265-64-7
cas number: 156511-59-0
cas number: 69093-37-4
cas number: 80693-11-4
cas number: 2082-79-3
cas number: 119764-08-8
formula: C35H62O3
iupac name: octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate @en
pubchem: 16386
inchikey: SSDSCDGVMJFTEQ-UHFFFAOYSA-N
broader: CHEMONTID_0001722
in scheme: Conceptschema Chemische Stoffen
notation: C18y335DttC4

dioctyltin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15231-44-4
cas number: 94410-05-6
formula: C16H34Sn
inchi: InChI=1S/2C8H17.Sn/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;
iupac name: dioctyltin @en
pubchem: 27681
smiles: CCCCCCCC[Sn]CCCCCCCC
inchikey: HGQSXVKHVMGQRG-UHFFFAOYSA-N
alternative label: dioctyltin (kation)
broader: CHEMONTID_0001524
in scheme: Conceptschema Chemische Stoffen
notation: DC8ySn

chloornitrobenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 25167-93-5
cas number: 88-73-3
formula: C6H4ClNO2
inchi: InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
iupac name: 1-Chloro-2-nitrobenzene @en
pubchem: 6945
smiles: C1=CC=C(C(=C1)[N+](=O)[O-])Cl
inchikey: BFCFYVKQTRLZHA-UHFFFAOYSA-N
alternative label: 1-chloor-2-nitrobenzeen
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: ClNO2Ben
notation: 1Cl2NO2Ben

trifluormethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 185009-29-4
cas number: 75-46-7
formula: CHF3
inchi: InChI=1S/CHF3/c2-1(3)4/h1H
iupac name: Fluoroform @en
pubchem: 6373
smiles: C(F)(F)F
inchikey: XPDWGBQVDMORPB-UHFFFAOYSA-N
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: HFK23

2,2',4,4',5-pentachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 38380-01-7
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-6-1-2-7(9(14)3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
iupac name: 1,2,4-trichloro-5-(2,4-dichlorophenyl)benzene @en
pubchem: 38013
inchikey: LMQJBFRGXHMNOX-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB99

bendiocarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 22781-23-3
formula: C11H13NO4
inchi: InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
iupac name: (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate @en
pubchem: 2314
smiles: CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C
inchikey: XEGGRYVFLWGFHI-UHFFFAOYSA-N
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: benDocb

3-broomanisol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2398-37-0
formula: C7H7BrO
inchi: InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
iupac name: 1-Bromo-3-methoxybenzene @en
pubchem: 16971
smiles: COC1=CC(=CC=C1)Br
inchikey: PLDWAJLZAAHOGG-UHFFFAOYSA-N
broader: CHEMONTID_0000138
in scheme: Conceptschema Chemische Stoffen
notation: 3Bransl

2-chloor-4-nitrotolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 121-86-8
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
iupac name: 2-Chloro-1-methyl-4-nitrobenzene @en
pubchem: 8491
smiles: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
inchikey: LLYXJBROWQDVMI-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl4NO2Tol

gibberelline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8030-53-3
formula: C38H46O10
inchi: InChI=1S/C19H24O5.C19H22O5/c2*1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22);5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t2*10-,11+,12-,13+,14+,17+,18-,19+/m00/s1
iupac name: (1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid;(1R,2R,5S,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid @en
pubchem: 165669
inchikey: VLCYCUFDXXZIOY-ZFGAUFRASA-N
broader: CHEMONTID_0004013
in scheme: Conceptschema Chemische Stoffen
notation: gebbrlne

aminocarb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2032-59-9
formula: C11H16N2O2
inchi: InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)
iupac name: (4-dimethylamino-3-methylphenyl) N-methylcarbamate @en
pubchem: 16247
smiles: CC1=C(C=CC(=C1)OC(=O)NC)N(C)C
inchikey: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
broader: CHEMONTID_0004742
in scheme: Conceptschema Chemische Stoffen
notation: Aocb

2,5-dinitrofenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 329-71-5
formula: C6H4N2O5
inchi: InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H
iupac name: ['5-(dihydroxyamino)-2-nitrophenol', '2-(dihydroxyamino)-5-nitrophenol', '2,5-DINITROPHENOL'] @en
pubchem: 9492
smiles: C1=CC(=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]
inchikey: UWEZBKLLMKVIPI-UHFFFAOYSA-N
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
notation: 25DNO2Fol

2-amino-5-methylbenzeensulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 88-44-8
formula: C7H9NO3S
inchi: InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
iupac name: 2-Amino-5-methylbenzenesulfonic acid @en
pubchem: 6934
smiles: CC1=CC(=C(C=C1)N)S(=O)(=O)O
inchikey: LTPSRQRIPCVMKQ-UHFFFAOYSA-N
broader: CHEMONTID_0000032
in scheme: Conceptschema Chemische Stoffen
notation: 2Ao5C1yBensf

isobutylacrylaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 106-63-8
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
iupac name: 2-methylpropyl prop-2-enoate @en
pubchem: 7819
smiles: CC(C)COC(=O)C=C
inchikey: CFVWNXQPGQOHRJ-UHFFFAOYSA-N
broader: CHEMONTID_0004452
in scheme: Conceptschema Chemische Stoffen
notation: iC4yaclt

propargiet
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 60098-53-5
cas number: 2312-35-8
formula: C19H26O4S
inchi: InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3
iupac name: [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite @en
pubchem: 4936
smiles: CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C
inchikey: ZYHMJXZULPZUED-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: propgt

2-methyl-1-propaanthiol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 513-44-0
formula: C4H10S
inchi: InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
iupac name: 2-Methylpropane-1-thiol @en
pubchem: 10558
smiles: CC(C)CS
inchikey: BDFAOUQQXJIZDG-UHFFFAOYSA-N
broader: CHEMONTID_0001212
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y1C3atol

2,5-dimethylpyrazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 123-32-0
formula: C6H8N2
inchi: InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
iupac name: 2,5-Dimethylpyrazine @en
pubchem: 31252
smiles: CC1=CN=C(C=N1)C
inchikey: LCZUOKDVTBMCMX-UHFFFAOYSA-N
broader: CHEMONTID_0000067
in scheme: Conceptschema Chemische Stoffen
notation: 25DC1yprzne

butanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
cas number: 42031-19-6
cas number: 71-36-3
cas number: 220713-25-7
cas number: 14254-05-8
cas number: 107569-51-7
cas number: 35296-72-1
formula: C4H10O
inchi: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
iupac name: Butan-1-ol @en
pubchem: 263
smiles: CCCCO
inchikey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 000
is referenced by: LUC IV 009
alternative label: n-butanol
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
notation: C4ol

2-methylheptadecaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1560-89-0
formula: C18H38
inchi: InChI=1S/C18H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h18H,4-17H2,1-3H3
iupac name: 2-METHYLHEPTADECANE @en
pubchem: 15265
smiles: CCCCCCCCCCCCCCCC(C)C
inchikey: RJWUMFHQJJBBOD-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC17a

dipropetryn
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4147-51-7
formula: C11H21N5S
inchi: InChI=1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)
iupac name: 6-ethylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en
pubchem: 20105
smiles: CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C
inchikey: NPWMZOGDXOFZIN-UHFFFAOYSA-N
broader: CHEMONTID_0004637
in scheme: Conceptschema Chemische Stoffen
notation: Dprtn

thallium 202
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15720-57-7
formula: Tl
inchi: InChI=1S/Tl/i1-2
iupac name: thallium-202 @en
pubchem: 6337071
smiles: [Tl]
inchikey: BKVIYDNLLOSFOA-YPZZEJLDSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Tl202

profluraline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 26399-36-0
cas number: 52002-14-9
cas number: 12676-46-9
cas number: 11096-25-6
formula: C14H16F3N3O4
inchi: InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3
iupac name: N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline @en
pubchem: 33500
smiles: CCCN(CC1CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
inchikey: ITVQAKZNYJEWKS-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: profrlne

diquat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2764-72-9
formula: C12H12N2+2
inchi: InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2
iupac name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene @en
pubchem: 6795
smiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31
inchikey: SYJFEGQWDCRVNX-UHFFFAOYSA-N
broader: CHEMONTID_0001764
in scheme: Conceptschema Chemische Stoffen
notation: Dqt

dibroomazijnzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 631-64-1
formula: C2H2Br2O2
inchi: InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
iupac name: 2,2-dibromoacetic acid @en
pubchem: 12433
smiles: C(C(=O)O)(Br)Br
inchikey: SIEILFNCEFEENQ-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: DBrHAc

bezafibraat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 41859-67-0
formula: C19H20ClNO4
inchi: InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
iupac name: 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid @en
pubchem: 39042
inchikey: IIBYAHWJQTYFKB-UHFFFAOYSA-N
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: bezafbt

4,4'-thiobisbenzeenamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 139-65-1
formula: C12H12N2S
inchi: InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
iupac name: 4-(4-aminophenyl)sulfanylaniline @en
pubchem: 8765
smiles: C1=CC(=CC=C1N)SC2=CC=C(C=C2)N
inchikey: ICNFHJVPAJKPHW-UHFFFAOYSA-N
broader: CHEMONTID_0003864
in scheme: Conceptschema Chemische Stoffen
notation: 44thiobBenAe

toxafeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8001-35-2
formula: C10H8Cl8
inchi: InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2
iupac name: 1,2,3,4,7,7-hexachloro-6,6-bis(chloromethyl)-5-methylidenebicyclo[2.2.1]heptane @en
pubchem: 5284469
inchikey: OEJNXTAZZBRGDN-UHFFFAOYSA-N
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
notation: toxafn

isobutylparabeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4247-02-3
formula: C11H14O3
inchi: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
iupac name: 2-Methylpropyl 4-hydroxybenzoate @en
pubchem: 20240
smiles: CC(C)COC(=O)C1=CC=C(C=C1)O
inchikey: XPJVKCRENWUEJH-UHFFFAOYSA-N
broader: CHEMONTID_0004702
in scheme: Conceptschema Chemische Stoffen
notation: iC4yprbn

C.I. Solvent Yellow 14
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 104407-03-6
cas number: 842-07-9
formula: C16H12N2O
inchi: InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,17H/b18-16-
iupac name: ['1-(phenylhydrazinylidene)naphthalen-2-one', '(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one'] @en
pubchem: 5858445
smiles: C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32
inchikey: ZONYAPYTDIVJGG-VLGSPTGOSA-N
alternative label: c.i. solvent yellow 14
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: cisyw14

methylpirimifos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 29232-93-7
formula: C11H20N3O3PS
inchi: InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
iupac name: 4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine @en
pubchem: 34526
smiles: CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C
inchikey: QHOQHJPRIBSPCY-UHFFFAOYSA-N
alternative label: pirimiphos-methyl
alternative label: pirimifos-methyl
broader: CHEMONTID_0004771
in scheme: Conceptschema Chemische Stoffen
notation: C1yprmfs

2-ethoxybutaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2679-87-0
cas number: 19316-73-5
formula: C6H14O
inchi: InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3
iupac name: 2-ETHOXYBUTANE @en
pubchem: 17586
smiles: CCC(C)OCC
inchikey: VSCUCHUDCLERMY-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 2C2oxC4a

4-tert-butylpyrocatechol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 98-29-3
formula: C10H14O2
inchi: InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
iupac name: 4-tert-butylbenzene-1,2-diol @en
pubchem: 7381
smiles: CC(C)(C)C1=CC(=C(C=C1)O)O
inchikey: XESZUVZBAMCAEJ-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 4ttC4yprctcl

2,4-dimethylhexaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 90622-56-3
cas number: 589-43-5
formula: C8H18
inchi: InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3
iupac name: 2,4-Dimethylhexane @en
pubchem: 11511
smiles: CCC(C)CC(C)C
inchikey: HDGQICNBXPAKLR-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1yC6a

broomtrichloormethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 75-62-7
formula: CBrCl3
inchi: InChI=1S/CBrCl3/c2-1(3,4)5
iupac name: bromo-trichloromethane @en
pubchem: 6383
smiles: C(Cl)(Cl)(Cl)Br
inchikey: XNNQFQFUQLJSQT-UHFFFAOYSA-N
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: BrTClC1a

dihydromyrcenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 18479-58-8
cas number: 25279-08-7
formula: C10H20O
inchi: InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3
iupac name: 2,6-Dimethyloct-7-en-2-ol @en
pubchem: 29096
smiles: CC(CCCC(C)(C)O)C=C
inchikey: XSNQECSCDATQEL-UHFFFAOYSA-N
broader: CHEMONTID_0001670
in scheme: Conceptschema Chemische Stoffen
notation: DHmcnl

triasulfuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 135100-29-7
cas number: 82097-50-5
formula: C14H16ClN5O5S
iupac name: 1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea @en
pubchem: 73282
inchikey: XOPFESVZMSQIKC-UHFFFAOYSA-N
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: Tasfrn

4-methylindol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 16096-32-5
formula: C9H9N
inchi: InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3
iupac name: 4-methyl-1H-indole @en
pubchem: 85282
smiles: CC1=C2C=CNC2=CC=C1
inchikey: PZOUSPYUWWUPPK-UHFFFAOYSA-N
broader: CHEMONTID_0002497
in scheme: Conceptschema Chemische Stoffen
notation: 4C1yidl

aramit
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 140-57-8
formula: C15H23ClO4S
inchi: InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3
iupac name: 1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite @en
pubchem: 8809
smiles: CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl
inchikey: YKFRAOGHWKADFJ-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: armt

protactinium 231
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 14331-85-2
formula: Pa
inchi: InChI=1S/Pa/i1+0
iupac name: protactinium-231 @en
pubchem: 105147
smiles: [Pa]
inchikey: XLROVYAPLOFLNU-IGMARMGPSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Pa231

3-heptanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 106-35-4
formula: C7H14O
inchi: InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
iupac name: Heptan-3-one @en
pubchem: 7802
smiles: CCCCC(=O)CC
inchikey: NGAZZOYFWWSOGK-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 3C7on

tetraethyleenpentamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 112-57-2
cas number: 115254-44-9
formula: C8H23N5
inchi: InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
iupac name: N'-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine @en
pubchem: 8197
smiles: C(CNCCNCCNCCN)N
inchikey: FAGUFWYHJQFNRV-UHFFFAOYSA-N
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: T4C2yePeAe

sulfurylfluoride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2699-79-8
formula: F2O2S
inchi: InChI=1S/F2O2S/c1-5(2,3)4
iupac name: Sulfuryl difluoride @en
pubchem: 17607
smiles: O=S(=O)(F)F
inchikey: OBTWBSRJZRCYQV-UHFFFAOYSA-N
broader: CHEMONTID_0000550
in scheme: Conceptschema Chemische Stoffen
notation: sulfrF

sec-butylacetaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 116698-48-7
cas number: 105-46-4
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
iupac name: butan-2-yl acetate @en
pubchem: 7758
smiles: CCC(C)OC(=O)C
inchikey: DCKVNWZUADLDEH-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: secC4yactt

theophylline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 75448-53-2
cas number: 56645-32-0
cas number: 46157-00-0
cas number: 58-55-9
formula: C7H8N4O2
inchi: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
iupac name: 1,3-dimethyl-7H-purine-2,6-dione @en
pubchem: 2153
smiles: CN1C2=C(C(=O)N(C1=O)C)NC=N2
inchikey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
broader: CHEMONTID_0000247
in scheme: Conceptschema Chemische Stoffen
notation: theoplne

pyraclofos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 77458-01-6
cas number: 89784-60-1
formula: C14H18ClN2O3PS
iupac name: 1-(4-chlorophenyl)-4-(ethoxy-propylsulfanylphosphoryl)oxypyrazole @en
pubchem: 93460
inchikey: QHGVXILFMXYDRS-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: pyrcfs

3,4-dimethylpyridine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 583-58-4
formula: C7H9N
inchi: InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3
iupac name: 3,4-Dimethylpyridine @en
pubchem: 11417
smiles: CC1=C(C=NC=C1)C
inchikey: NURQLCJSMXZBPC-UHFFFAOYSA-N
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
notation: 34DC1yprdne

N-ethyl-4-methylbenzeensulfonamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 825629-31-0
cas number: 8047-99-2
cas number: 80-39-7
formula: C9H13NO2S
inchi: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
iupac name: N-Ethyl-4-methylbenzenesulfonamide @en
pubchem: 6637
smiles: CCNS(=O)(=O)C1=CC=C(C=C1)C
inchikey: OHPZPBNDOVQJMH-UHFFFAOYSA-N
alternative label: n-ethyl-4-methylbenzeensulfonamide
broader: CHEMONTID_0004517
in scheme: Conceptschema Chemische Stoffen
notation: NC2y4C1yBens

einsteinium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7429-92-7
formula: Es
inchi: InChI=1S/Es
iupac name: EINSTEINIUM @en
pubchem: 23913
smiles: [Es]
inchikey: CKBRQZNRCSJHFT-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Es

ruthenium 106
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13967-48-1
formula: Ru
inchi: InChI=1S/Ru/i1+5
iupac name: ruthenium-106 @en
pubchem: 26359
smiles: [Ru]
inchikey: KJTLSVCANCCWHF-BKFZFHPZSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ru106

1,3-dichloorpropaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 142-28-9
formula: C3H6Cl2
inchi: InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
iupac name: 1,3-Dichloropropane @en
pubchem: 8881
smiles: C(CCl)CCl
inchikey: YHRUOJUYPBUZOS-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 13DClC3a

crufomaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 299-86-5
formula: C12H19ClNO3P
inchi: InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)
iupac name: N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine @en
pubchem: 9300
smiles: CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl
inchikey: BOFHKBLZOYVHSI-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: crfmt

methyl-metsulfuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 74223-64-6
cas number: 82197-07-7
formula: C14H15N5O6S
inchi: InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
iupac name: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate @en
pubchem: 52999
inchikey: RSMUVYRMZCOLBH-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: C1ymsfrn

tetraethyleenglycoldimethylether
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 70992-84-6
cas number: 143-24-8
formula: C10H22O5
inchi: InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3
iupac name: 1-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethane @en
pubchem: 8925
smiles: COCCOCCOCCOCCOC
inchikey: ZUHZGEOKBKGPSW-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: TEGDME

ethylkwikbromide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 107-26-6
formula: C2H5BrHg
inchi: InChI=1S/C2H5.BrH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1
iupac name: bromo-ethylmercury @en
pubchem: 66943
smiles: CC[Hg]Br
inchikey: UREACWLAXSOUKG-UHFFFAOYSA-M
broader: CHEMONTID_0004442
in scheme: Conceptschema Chemische Stoffen
notation: C2yHgBr

metoprololtartraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 71307-49-8
cas number: 55250-54-9
cas number: 60168-92-5
cas number: 74220-04-5
cas number: 56392-17-7
formula: C34H56N2O12
inchi: InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
iupac name: (2R,3R)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
pubchem: 441308
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O
inchikey: YGULWPYYGQCFMP-CEAXSRTFSA-N
broader: CHEMONTID_0000139
in scheme: Conceptschema Chemische Stoffen

carbofuran-fenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1563-38-8
formula: C10H12O2
inchi: InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3
iupac name: 2,2-dimethyl-3H-1-benzofuran-7-ol @en
pubchem: 15278
smiles: CC1(CC2=C(O1)C(=CC=C2)O)C
inchikey: WJGPNUBJBMCRQH-UHFFFAOYSA-N
broader: CHEMONTID_0004189
in scheme: Conceptschema Chemische Stoffen
notation: carbfrFol

2-methylpyridine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 82005-07-0
cas number: 109-06-8
cas number: 45505-34-8
cas number: 52962-96-6
formula: C6H7N
inchi: InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
iupac name: 2-Methylpyridine @en
pubchem: 7975
smiles: CC1=CC=CC=N1
inchikey: BSKHPKMHTQYZBB-UHFFFAOYSA-N
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yprdne

tetramethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 488-23-3
cas number: 25619-60-7
formula: C10H14
inchi: InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3
iupac name: 1,2,3,4-TETRAMETHYLBENZENE @en
pubchem: 10263
smiles: CC1=C(C(=C(C=C1)C)C)C
inchikey: UOHMMEJUHBCKEE-UHFFFAOYSA-N
alternative label: 1,2,3,4-tetramethylbenzeen
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 1234T4C1yBen
notation: T4C1yBen

bismuth 210
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14331-79-4
formula: Bi
inchi: InChI=1S/Bi/i1+1
iupac name: bismuth-210 @en
pubchem: 6328547
smiles: [Bi]
inchikey: JCXGWMGPZLAOME-OUBTZVSYSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Bi210

10,11-cisdiol carbamazepine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 35079-97-1
formula: C15H14N2O3
inchi: InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)
iupac name: 5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide @en
pubchem: 83852
inchikey: PRGQOPPDPVELEG-UHFFFAOYSA-N
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: 1011cDolcarb

versalide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1401-76-9
cas number: 88-29-9
formula: C18H26O
inchi: InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3
iupac name: 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone @en
pubchem: 6930
smiles: CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C
inchikey: KSEZPRJUTHMFGZ-UHFFFAOYSA-N
broader: CHEMONTID_0000048
in scheme: Conceptschema Chemische Stoffen
notation: verslde

norcodeine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 467-15-2
formula: C17H19NO3
inchi: InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12?,16?,17+/m1/s1
iupac name: (4R,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol @en
pubchem: 5359402
inchikey: HKOIXWVRNLGFOR-YANNOFPNSA-N
broader: CHEMONTID_0000058
in scheme: Conceptschema Chemische Stoffen
notation: norcdine

imazamethabenz-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 81405-85-8
cas number: 153703-73-2
cas number: 69969-22-8
formula: C16H20N2O3
inchi: InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)
iupac name: methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate @en
pubchem: 54744
inchikey: FFCCBBNQPIMUJI-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: imzmtbzC1y

desmedifam
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13684-56-5
formula: C16H16N2O4
inchi: InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
iupac name: [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate @en
pubchem: 24743
inchikey: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
notation: desmdfm

alfa+beta endosulfan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 115-29-7
cas number: 8003-45-0
cas number: 6994-04-3
formula: C9H6Cl6O3S
inchi: InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
iupac name: 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide @en
pubchem: 3224
inchikey: RDYMFSUJUZBWLH-UHFFFAOYSA-N
alternative label: ?-endosulfan
alternative label: endosulfan (som alfa- en beta-isomeer)
broader: CHEMONTID_0002074
in scheme: Conceptschema Chemische Stoffen
notation: endsfn

1,4-dichloorbutaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 51104-87-1
cas number: 110-56-5
formula: C4H8Cl2
inchi: InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
iupac name: ['1,4-dichlorobuta-1,3-diyne', '1,4-Dichlorobutane'] @en
pubchem: 8059
smiles: C(CCCl)CCl
inchikey: KJDRSWPQXHESDQ-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 14DClC4a

3,7-dimethyl-1,7-octaandiol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 107-74-4
formula: C10H22O2
inchi: InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
iupac name: 3,7-Dimethyloctane-1,7-diol @en
pubchem: 249494
smiles: CC(CCCC(C)(C)O)CCO
inchikey: FPCCDPXRNNVUOM-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 37DC1y17C8aD

roxitromycine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 80214-83-1
formula: C41H76N2O15
inchi: InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23?,24+,25+,26-,27?,28?,29-,30?,32?,33+,34-,35?,36-,38?,39-,40?,41-/m1/s1
iupac name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-(4-dimethylamino-3-hydroxy-6-methyloxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one @en
pubchem: 9567573
inchikey: RXZBMPWDPOLZGW-KMAKEOJNSA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: roxtmcne

tribenuronmethyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 101200-48-0
formula: C15H17N5O6S
inchi: InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
iupac name: methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate @en
pubchem: 153909
inchikey: VLCQZHSMCYCDJL-UHFFFAOYSA-N
broader: CHEMONTID_0004706
in scheme: Conceptschema Chemische Stoffen
notation: TbnrC1y

monooctyltin (kation)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 94410-07-8
formula: C8H17Sn+3
inchi: InChI=1S/C8H17.Sn/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;/q;+3
iupac name: octyltin @en
pubchem: 185342
smiles: CCCCCCCC[Sn+3]
inchikey: GYKSIQWGEZQNEA-UHFFFAOYSA-N
broader: CHEMONTID_0001523
in scheme: Conceptschema Chemische Stoffen
notation: MC8ySn

C.I. Basic Green 4
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55172-50-4
cas number: 569-64-2
cas number: 10309-95-2
formula: C23H25ClN2
inchi: InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1
iupac name: [4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium chloride @en
pubchem: 11294
smiles: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]
inchikey: FDZZZRQASAIRJF-UHFFFAOYSA-M
alternative label: c.i. basic green 4
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: cibgn4

methylamine hydrochloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 135862-86-1
cas number: 593-51-1
cas number: 865-30-5
formula: CH6ClN
inchi: InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H
iupac name: methylazanium chloride @en
pubchem: 11637
smiles: C[NH3+].[Cl-]
inchikey: NQMRYBIKMRVZLB-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: C1yAeHCl

1,1-dimethylhydrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 88733-28-2
cas number: 57-14-7
formula: C2H8N2
inchi: InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3
iupac name: 1,1-Dimethylhydrazine @en
pubchem: 5976
smiles: CN(C)N
inchikey: RHUYHJGZWVXEHW-UHFFFAOYSA-N
broader: CHEMONTID_0004511
in scheme: Conceptschema Chemische Stoffen
notation: 11DC1yhdzne

2-chloor-1,1,1-trifluorethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 75-88-7
formula: C2H2ClF3
inchi: InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
iupac name: 2-Chloro-1,1,1-trifluoroethane @en
pubchem: 6408
smiles: C(C(F)(F)F)Cl
inchikey: CYXIKYKBLDZZNW-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK133a

4-broomaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 106-40-1
cas number: 55777-84-9
formula: C6H6BrN
inchi: InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
iupac name: 4-Bromoaniline @en
pubchem: 7807
smiles: C1=CC(=CC=C1N)Br
inchikey: WDFQBORIUYODSI-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 4BrAn

dipropyl-isocinchomeronaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 136-45-8
cas number: 114308-72-4
formula: C13H17NO4
inchi: InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
iupac name: DIPROPYL PYRIDINE-2,5-DICARBOXYLATE @en
pubchem: 8693
smiles: CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC
inchikey: IITCWRFYJWUUPC-UHFFFAOYSA-N
broader: CHEMONTID_0002414
in scheme: Conceptschema Chemische Stoffen
notation: DC3yiccmrnt

3-ketocarbofuraan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 16709-30-1
formula: C12H13NO4
inchi: InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)
iupac name: (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-methylcarbamate @en
pubchem: 27999
smiles: CC1(C(=O)C2=C(O1)C(=CC=C2)OC(=O)NC)C
inchikey: WXNZYYXXILQTKX-UHFFFAOYSA-N
broader: CHEMONTID_0000301
in scheme: Conceptschema Chemische Stoffen
notation: 3ketcbfrn

2,5-dichloornitrobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 89-61-2
formula: C6H3Cl2NO2
inchi: InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
iupac name: 1,4-Dichloro-2-nitrobenzene @en
pubchem: 6977
smiles: C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl
inchikey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 25DClNO2Ben

2-broom-1,4-dimethylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 553-94-6
formula: C8H9Br
inchi: InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
iupac name: 2-Bromo-1,4-dimethylbenzene @en
pubchem: 11121
smiles: CC1=CC(=C(C=C1)C)Br
inchikey: QXISTPDUYKNPLU-UHFFFAOYSA-N
broader: CHEMONTID_0004211
in scheme: Conceptschema Chemische Stoffen
notation: 2Br14DC1yBen

trimethylammoniumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 593-81-7
formula: C3H10ClN
inchi: InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H
iupac name: N,N-dimethylmethanamine hydrochloride @en
pubchem: 11649
smiles: C[NH+](C)C.[Cl-]
inchikey: SZYJELPVAFJOGJ-UHFFFAOYSA-N
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
notation: TC1yNH4Cl

esprocarb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 85785-20-2
formula: C15H23NOS
inchi: InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3
iupac name: S-(phenylmethyl) (ethyl-(3-methylbutan-2-yl)amino)methanethioate @en
pubchem: 91740
smiles: CCN(C(C)C(C)C)C(=O)SCC1=CC=CC=C1
inchikey: BXEHUCNTIZGSOJ-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: espcb

bifenox
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 42576-02-3
formula: C14H9Cl2NO5
inchi: InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3
iupac name: Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate @en
pubchem: 39230
inchikey: SUSRORUBZHMPCO-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: bfnx

fenamifos-sulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 31972-44-8
formula: C13H22NO5PS
inchi: InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)
iupac name: N-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-amine @en
pubchem: 36028
inchikey: LVNYJXIBJFXIRZ-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: fenamfsfn

calcium, tweewaardig
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 17787-72-3
cas number: 14127-61-8
formula: Ca+2
inchi: InChI=1S/Ca/q+2
iupac name: calcium(+2) cation @en
pubchem: 271
smiles: [Ca+2]
inchikey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen

triflusulfuron-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 126535-15-7
formula: C17H19F3N6O6S
iupac name: methyl 2-[[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate @en
pubchem: 92434
inchikey: IMEVJVISCHQJRM-UHFFFAOYSA-N
broader: CHEMONTID_0004706
in scheme: Conceptschema Chemische Stoffen
notation: TfsfrnC1y

iprodion
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 61840-50-4
cas number: 36734-19-7
formula: C13H13Cl2N3O3
iupac name: 3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide @en
pubchem: 37517
inchikey: ONUFESLQCSAYKA-UHFFFAOYSA-N
broader: CHEMONTID_0002282
in scheme: Conceptschema Chemische Stoffen
notation: ipDon

cyclohexyl-isothiocyanaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1122-82-3
formula: C7H11NS
inchi: InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
iupac name: ISOTHIOCYANATOCYCLOHEXANE @en
pubchem: 14289
smiles: C1CCC(CC1)N=C=S
inchikey: MZSJGCPBOVTKHR-UHFFFAOYSA-N
broader: CHEMONTID_0001234
in scheme: Conceptschema Chemische Stoffen
notation: ccC6yitoCN

perfluortridecaanzuur (pftrda)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 72629-94-8
formula: C13HF25O2
inchi: InChI=1S/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid @en
pubchem: 3018355
inchikey: LVDGGZAZAYHXEY-UHFFFAOYSA-N
alternative label: perfluor-n-tridecaanzuur (pftrda)
alternative label: perfluortridecaanzuur
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: PFTDA
notation: PFTrDA

2,4,4-trimethylpentaan-1,3-diylbis (2-methylpropanoaat)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 74381-40-1
formula: C16H30O4
inchi: InChI=1S/C16H30O4/c1-10(2)14(17)19-9-12(5)13(16(6,7)8)20-15(18)11(3)4/h10-13H,9H2,1-8H3
iupac name: [2,4,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate @en
pubchem: 93439
smiles: CC(C)C(=O)OCC(C)C(C(C)(C)C)OC(=O)C(C)C
inchikey: PXNPSORLYYNBLA-UHFFFAOYSA-N
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: 244TC1yC5a13

4-chloortolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 106-43-4
cas number: 3327-51-3
formula: C7H7Cl
inchi: InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
iupac name: 1-Chloro-4-methylbenzene @en
pubchem: 7810
smiles: CC1=CC=C(C=C1)Cl
inchikey: NPDACUSDTOMAMK-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: 4ClTol

pinoxaden
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 243973-20-8
formula: C23H32N2O4
inchi: InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3
iupac name: [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[2,1-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate @en
pubchem: 210326
inchikey: MGOHCFMYLBAPRN-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: pinadn

fosforzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1339-32-8
cas number: 9043-01-0
cas number: 28602-75-7
cas number: 9066-91-5
cas number: 9044-08-0
cas number: 7664-38-2
cas number: 178560-73-1
formula: H3O4P
inchi: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
iupac name: ['Phosphoric acid', 'tetrahydroxyphosphanium'] @en
pubchem: 1004
smiles: OP(=O)(O)O
inchikey: NBIIXXVUZAFLBC-UHFFFAOYSA-N
broader: CHEMONTID_0001073
in scheme: Conceptschema Chemische Stoffen
notation: H3PO4

9-octadecenal
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5090-41-5
formula: C18H34O
inchi: InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+
iupac name: (E)-octadec-9-enal @en
pubchem: 5283381
smiles: CCCCCCCCC=CCCCCCCCC=O
inchikey: ZENZJGDPWWLORF-MDZDMXLPSA-N
broader: CHEMONTID_0000298
in scheme: Conceptschema Chemische Stoffen
notation: 9C18eal

chloortetracycline hydrochloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 57-62-5
cas number: 64-72-2
formula: C22H24Cl2N2O8
inchi: InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3;1H/b20-13-;/t7-,8-,15-,21-,22-;/m0./s1
iupac name: (2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride @en
pubchem: 5282486
inchikey: RRXOSDMYCQSQHB-MRYPCDLHSA-N
alternative label: chloortetracycline
broader: CHEMONTID_0000181
in scheme: Conceptschema Chemische Stoffen
notation: ClT4ccne
notation: ClT4ccnHCl

1-azido-2-methylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 31656-92-5
formula: C7H7N3
inchi: InChI=1S/C7H7N3/c1-6-4-2-3-5-7(6)9-10-8/h2-5H,1H3
iupac name: 1-azido-2-methylbenzene @en
pubchem: 141652
smiles: CC1=CC=CC=C1N=[N+]=[N-]
inchikey: ZKGVLNVASIPVAU-UHFFFAOYSA-N
broader: CHEMONTID_0000399
in scheme: Conceptschema Chemische Stoffen
notation: 1azd2C1yben

n,n,3-trimethylaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 121-72-2
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
iupac name: N,N,3-Trimethylaniline @en
pubchem: 8488
smiles: CC1=CC(=CC=C1)N(C)C
inchikey: CWOMTHDOJCARBY-UHFFFAOYSA-N
alternative label: N,N,3-trimethylaniline
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: NN3TC1yAn

tetrahydrothiofeen-1,1-dioxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 208252-54-4
cas number: 126-33-0
formula: C4H8O2S
inchi: InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
iupac name: thiolane 1,1-dioxide @en
pubchem: 31347
smiles: C1CCS(=O)(=O)C1
inchikey: HXJUTPCZVOIRIF-UHFFFAOYSA-N
broader: CHEMONTID_0000233
in scheme: Conceptschema Chemische Stoffen
notation: T4Htof11DO

wolfraam 181
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15749-46-9
formula: W
inchi: InChI=1S/W/i1-3
iupac name: tungsten-181 @en
pubchem: 161143
smiles: [W]
inchikey: WFKWXMTUELFFGS-OIOBTWANSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: W181

beta-heptachloorepoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 66240-71-9
cas number: 28044-82-8
cas number: 1024-57-3
cas number: 4067-30-5
cas number: 24717-72-4
cas number: 24699-42-1
formula: C10H5Cl7O
inchi: InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H
iupac name: 1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene @en
pubchem: 13930
inchikey: ZXFXBSWRVIQKOD-UHFFFAOYSA-N
alternative label: cis-heptachloorepoxyde
alternative label: cis-heptachloorepoxide
broader: CHEMONTID_0002012
in scheme: Conceptschema Chemische Stoffen
notation: cHpClepO

imazaquin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 81335-37-7
formula: C17H17N3O3
inchi: InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
iupac name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid @en
pubchem: 54739
inchikey: CABMTIJINOIHOD-UHFFFAOYSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: imzqn

perfluor-n-butaansulfonzuur (pfbs)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 59933-66-3
cas number: 375-73-5
formula: C4HF9O3S
inchi: InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)
iupac name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid @en
pubchem: 67815
inchikey: JGTNAGYHADQMCM-UHFFFAOYSA-N
alternative label: perfluorbutaansulfonzuur
alternative label: perfluorbutaansulfonzuur (pfbs)
alternative label: perfluor-n-butaansulfonzuur
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
notation: L_PFBS
notation: PFBS

sulfadimethoxine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 122-11-2
formula: C12H14N4O4S
inchi: InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
iupac name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide @en
pubchem: 5323
inchikey: ZZORFUFYDOWNEF-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: sulfdmtoxne

1,2-dimethyl-4-ethylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 934-80-5
formula: C10H14
inchi: InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
iupac name: 4-Ethyl-1,2-dimethylbenzene @en
pubchem: 13629
smiles: CCC1=CC(=C(C=C1)C)C
inchikey: SBUYFICWQNHBCM-UHFFFAOYSA-N
broader: CHEMONTID_0004210
in scheme: Conceptschema Chemische Stoffen
notation: 12DC1y4C2yBe

arachidonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 506-32-1
cas number: 7771-44-0
formula: C20H32O2
inchi: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+
iupac name: ['Icosa-5,8,11,14-tetraenoic acid', '(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid'] @en
pubchem: 5312542
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
inchikey: YZXBAPSDXZZRGB-CGRWFSSPSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: arcdnzr

2,6-diethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 71477-82-2
cas number: 579-66-8
formula: C10H15N
inchi: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
iupac name: 2,6-Diethylaniline @en
pubchem: 11369
smiles: CCC1=C(C(=CC=C1)CC)N
inchikey: FOYHNROGBXVLLX-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 26DC2yAn

spinosynd
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 131929-63-0
formula: C42H67NO10
inchi: InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1
iupac name: (1S,2S,5R,7S,9S,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione @en
pubchem: 183094
inchikey: RDECBWLKMPEKPM-PSCJHHPTSA-N
alternative label: spinosynD
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: spinsnD

n,n-bis(2-methylpropyl)amine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 110-96-3
formula: C8H20N+
inchi: InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3/p+1/t7-,8+
iupac name: bis[(2S)-butan-2-yl]azanium @en
pubchem: 1550465
smiles: CCC(C)[NH2+]C(C)CC
inchikey: OBYVIBDTOCAXSN-OCAPTIKFSA-O
alternative label: N,N-bis(2-methylpropyl)amine
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: NNb2C1yC3yAe

triamcinolonacetonide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13586-95-3
cas number: 138265-06-2
cas number: 8054-16-8
cas number: 76-25-5
formula: C24H31FO6
inchi: InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
iupac name: (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one @en
pubchem: 6436
inchikey: YNDXUCZADRHECN-JNQJZLCISA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: Tacnlnactnde

4'-tertiair-butyl-2',6'-dimethylacetofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2040-10-0
formula: C14H20O
inchi: InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3
iupac name: 1-(4-tert-butyl-2,6-dimethylphenyl)ethanone @en
pubchem: 74879
smiles: CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)C
inchikey: JNHLHPMTMTYLCP-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: 4ttC4y26DC1y

rimsulfuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 122931-48-0
formula: C14H17N5O7S2
inchi: InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-(3-ethylsulfonylpyridin-2-yl)sulfonylurea @en
pubchem: 91779
inchikey: MEFOUWRMVYJCQC-UHFFFAOYSA-N
broader: CHEMONTID_0001861
in scheme: Conceptschema Chemische Stoffen
notation: rimsfrn

2-methyl-2-butaanthiol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1679-09-0
formula: C5H12S
inchi: InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3
iupac name: 2-Methylbutane-2-thiol @en
pubchem: 15511
smiles: CCC(C)(C)S
inchikey: IQIBYAHJXQVQGB-UHFFFAOYSA-N
broader: CHEMONTID_0001212
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yl2C4atol

acridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 260-94-6
formula: C13H9N
inchi: InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
iupac name: Acridine @en
pubchem: 9215
smiles: C1=CC=C2C(=C1)C=C3C=CC=CC3=N2
inchikey: DZBUGLKDJFMEHC-UHFFFAOYSA-N
broader: CHEMONTID_0000274
in scheme: Conceptschema Chemische Stoffen
notation: acdne

tetramethylsilicaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 340701-13-5
cas number: 681-84-5
cas number: 213778-75-7
cas number: 188853-76-1
cas number: 251638-46-7
cas number: 294858-92-7
cas number: 12547-31-8
cas number: 136959-63-2
cas number: 25498-02-6
cas number: 113837-65-3
cas number: 299177-59-6
cas number: 12002-26-5
cas number: 143478-32-4
formula: C4H12O4Si
inchi: InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3
iupac name: Tetramethoxysilane @en
pubchem: 12682
smiles: CO[Si](OC)(OC)OC
inchikey: LFQCEHFDDXELDD-UHFFFAOYSA-N
broader: CHEMONTID_0003265
in scheme: Conceptschema Chemische Stoffen
notation: T4C1ySiO4

diheptylftalaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3648-21-3
cas number: 68515-44-6
cas number: 275818-86-5
formula: C22H34O4
inchi: InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
iupac name: diheptyl benzene-1,2-dicarboxylate @en
pubchem: 19284
smiles: CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC
inchikey: JQCXWCOOWVGKMT-UHFFFAOYSA-N
alternative label: di-n-heptylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC7yFt

tellurium 132
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14234-28-7
formula: Te
inchi: InChI=1S/Te/i1+4
iupac name: tellurium-132 @en
pubchem: 6336614
smiles: [Te]
inchikey: PORWMNRCUJJQNO-RNFDNDRNSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Te132

dimethyldioctadecylammonium bromide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3700-67-2
cas number: 134821-46-8
formula: C38H80BrN
iupac name: dimethyl-dioctadecylazanium bromide @en
pubchem: 77293
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]
inchikey: PSLWZOIUBRXAQW-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: DC1yDC18yNH4

azitromycine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 83905-01-5
formula: C38H72N2O12
inchi: InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22?,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
iupac name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one @en
pubchem: 55185
inchikey: MQTOSJVFKKJCRP-OHJWJPDZSA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: aztmcne

capectiabine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 154361-50-9
cas number: 158798-73-3
formula: C15H22FN3O6
inchi: InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
iupac name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate @en
pubchem: 60953
inchikey: GAGWJHPBXLXJQN-UORFTKCHSA-N
broader: CHEMONTID_0004502
in scheme: Conceptschema Chemische Stoffen
notation: captabne

tamoxifen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 10540-29-1
formula: C26H29NO
inchi: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
iupac name: 2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine @en
pubchem: 2733526
inchikey: NKANXQFJJICGDU-QPLCGJKRSA-N
broader: CHEMONTID_0000253
in scheme: Conceptschema Chemische Stoffen
notation: tamxfn

diisotridecylftalaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68515-47-9
cas number: 27253-26-5
formula: C34H58O4
inchi: InChI=1S/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3
iupac name: bis(11-methyldodecyl) benzene-1,2-dicarboxylate @en
pubchem: 161559
inchikey: BCSGAWBQJHXXSE-UHFFFAOYSA-N
alternative label: C13-rijk di-C11-14-vertakt alkylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: C13D1114akFt
notation: DiC13yFt

(e)-3-penteen-2-on
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3102-33-8
formula: C5H8O
inchi: InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
iupac name: ['pent-3-en-2-one', '(E)-pent-3-en-2-one'] @en
pubchem: 637920
smiles: CC=CC(=O)C
inchikey: LABTWGUMFABVFG-ONEGZZNKSA-N
alternative label: (E)-3-penteen-2-on
broader: CHEMONTID_0001363
in scheme: Conceptschema Chemische Stoffen
notation: E-3C5e2on

N-amylamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 110-58-7
formula: C5H13N
inchi: InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
iupac name: pentan-1-amine @en
pubchem: 8060
smiles: CCCCCN
inchikey: DPBLXKKOBLCELK-UHFFFAOYSA-N
alternative label: n-amylamine
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: NamAe

chloorfenson
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 80-33-1
formula: C12H8Cl2O3S
inchi: InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H
iupac name: (4-chlorophenyl) 4-chlorobenzenesulfonate @en
pubchem: 6635
inchikey: RZXLPPRPEOUENN-UHFFFAOYSA-N
broader: CHEMONTID_0004309
in scheme: Conceptschema Chemische Stoffen
notation: Clfsn

aldicarb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 116-06-3
formula: C7H14N2O2S
inchi: InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
iupac name: [(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate @en
pubchem: 9570071
smiles: CC(C)(C=NOC(=O)NC)SC
inchikey: QGLZXHRNAYXIBU-WEVVVXLNSA-N
broader: CHEMONTID_0002285
in scheme: Conceptschema Chemische Stoffen
notation: alDcb

cis-chloorfenvinfos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 18708-87-7
cas number: 135373-33-0
formula: C12H14Cl3O4P
inchi: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
iupac name: ['[2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate', '[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate'] @en
pubchem: 5377784
inchikey: FSAVDKDHPDSCTO-WQLSENKSSA-N
alternative label: Alfa-chloorfenvinfos
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: aClfvfs

2,4-dimethylpentaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 108-08-7
formula: C7H16
inchi: InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
iupac name: 2,4-Dimethylpentane @en
pubchem: 7907
smiles: CC(C)CC(C)C
inchikey: BZHMBWZPUJHVEE-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1yC5a

glucose
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 10257-28-0
cas number: 26655-34-5
cas number: 579-36-2
cas number: 921-60-8
cas number: 6038-51-3
cas number: 3458-28-4
cas number: 50-99-7
cas number: 59-23-4
cas number: 39392-65-9
cas number: 2280-44-6
formula: C6H12O6
inchi: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
iupac name: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol @en
pubchem: 206
smiles: C(C1C(C(C(C(O1)O)O)O)O)O
inchikey: WQZGKKKJIJFFOK-UHFFFAOYSA-N
broader: CHEMONTID_0001498
in scheme: Conceptschema Chemische Stoffen
notation: glucse

isoxaflutool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 141112-29-0
formula: C15H12F3NO4S
inchi: InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
iupac name: (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone @en
pubchem: 84098
inchikey: OYIKARCXOQLFHF-UHFFFAOYSA-N
broader: CHEMONTID_0004297
in scheme: Conceptschema Chemische Stoffen
notation: iOaftl

magnesiumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 77069-22-8
cas number: 12285-34-6
cas number: 7786-30-3
formula: Cl2Mg
inchi: InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2
iupac name: Magnesium dichloride @en
pubchem: 24584
smiles: [Mg+2].[Cl-].[Cl-]
inchikey: TWRXJAOTZQYOKJ-UHFFFAOYSA-L
broader: CHEMONTID_0000568
in scheme: Conceptschema Chemische Stoffen
notation: MgCl2

mangaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'mangaan en zijn verbindingen, uitgedrukt in Mn'
comment: VLAR III (D3, diverse art) 'Mn'
comment: VLAR II D5 'mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)'
comment: VLAR III (D3) 'Mangaan en mangaanverbindingen, uitgedrukt in mangaan (Mn)'
cas number: 19768-33-3
cas number: 39303-06-5
cas number: 22325-60-6
cas number: 8075-39-6
cas number: 7439-96-5
cas number: 17375-02-9
cas number: 195161-78-5
cas number: 8031-40-1
formula: Mn
inchi: InChI=1S/Mn
iupac name: Manganese @en
pubchem: 23930
smiles: [Mn]
inchikey: PWHULOQIROXLJO-UHFFFAOYSA-N
is referenced by: LUC I 002
is referenced by: LUC III 010
alternative label: Mangaan (Mn)
broader: CHEMONTID_0000426
definition: mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)
in scheme: Conceptschema Chemische Stoffen
notation: Mn

binapacryl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 485-31-4
formula: C15H18N2O6
inchi: InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3
iupac name: (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate @en
pubchem: 10234
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C
inchikey: ZRDUSMYWDRPZRM-UHFFFAOYSA-N
broader: CHEMONTID_0002319
in scheme: Conceptschema Chemische Stoffen
notation: binpcl

alkyl(C10-C13)benzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 6742-54-7
cas number: 67774-74-7
cas number: 129813-58-7
cas number: 29463-63-6
formula: C17H28
inchi: InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3
iupac name: Undecylbenzene @en
pubchem: 23194
smiles: CCCCCCCCCCCC1=CC=CC=C1
inchikey: XBEADGFTLHRJRB-UHFFFAOYSA-N
alternative label: alkyl(c10-c13)benzeen
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: alkC10C13Ben

benzo(j)fluorantheen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 205-82-3
formula: C20H12
inchi: InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H
iupac name: pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene @en
pubchem: 9152
inchikey: KHNYNFUTFKJLDD-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: BjF

2,3,5-trichlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 18487-39-3
formula: C6H4Cl3N
inchi: InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(9)5(10)2-3/h1-2H,10H2
iupac name: 2,3,5-Trichloroaniline @en
pubchem: 87676
smiles: C1=C(C=C(C(=C1N)Cl)Cl)Cl
inchikey: MOTBXEPLFOLWHZ-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 235TClAn

furfural
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 98-01-1
formula: C5H4O2
inchi: InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
iupac name: furan-2-carbaldehyde @en
pubchem: 7362
smiles: C1=COC(=C1)C=O
inchikey: HYBBIBNJHNGZAN-UHFFFAOYSA-N
alternative label: 2-furaldehyde
broader: CHEMONTID_0003213
in scheme: Conceptschema Chemische Stoffen
notation: furfrl

1-octeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
cas number: 68527-00-4
cas number: 111-66-0
cas number: 68526-54-5
formula: C8H16
inchi: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
iupac name: oct-1-ene @en
pubchem: 8125
smiles: CCCCCCC=C
inchikey: KWKAKUADMBZCLK-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 011
is referenced by: LUC IV 005
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 1C8e

glutaminezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 56-86-0
cas number: 10549-13-0
cas number: 6893-26-1
cas number: 617-65-2
cas number: 138-16-9
cas number: 6899-05-4
formula: C5H9NO4
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
iupac name: 2-aminopentanedioic acid @en
pubchem: 611
smiles: C(CC(=O)O)C(C(=O)O)N
inchikey: WHUUTDBJXJRKMK-UHFFFAOYSA-N
broader: CHEMONTID_0004323
in scheme: Conceptschema Chemische Stoffen
notation: glutmnzr

thidiazuron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 51707-55-2
formula: C9H8N4OS
inchi: InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
iupac name: 1-phenyl-3-(thiadiazol-5-yl)urea @en
pubchem: 40087
smiles: C1=CC=C(C=C1)NC(=O)NC2=CN=NS2
inchikey: HFCYZXMHUIHAQI-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: thidazrn

nitrosonornicotine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 16543-55-8
cas number: 64162-57-8
cas number: 53759-22-1
cas number: 80508-23-2
cas number: 64162-58-9
cas number: 84237-38-7
formula: C9H11N3O
inchi: InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2
iupac name: 3-(1-nitrosopyrrolidin-2-yl)pyridine @en
pubchem: 27919
smiles: C1CC(N(C1)N=O)C2=CN=CC=C2
inchikey: XKABJYQDMJTNGQ-UHFFFAOYSA-N
broader: CHEMONTID_0001975
in scheme: Conceptschema Chemische Stoffen
notation: NOnnctne

4-aminodifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 92-67-1
formula: C12H11N
inchi: InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
iupac name: 4-Phenylaniline @en
pubchem: 7102
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)N
inchikey: DMVOXQPQNTYEKQ-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: 4AoDFy

2-chloorethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1867-09-0
cas number: 59826-67-4
cas number: 107-07-3
formula: C2H5ClO
inchi: InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
iupac name: ['2-CHLOROETHANOL', '2-chloroethynol'] @en
pubchem: 34
smiles: C(CCl)O
inchikey: SZIFAVKTNFCBPC-UHFFFAOYSA-N
broader: CHEMONTID_0002608
in scheme: Conceptschema Chemische Stoffen
notation: 2ClC2ol

methyl 2-methylpropanoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 547-63-7
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
iupac name: Methyl 2-methylpropanoate @en
pubchem: 11039
smiles: CC(C)C(=O)OC
inchikey: BHIWKHZACMWKOJ-UHFFFAOYSA-N
broader: CHEMONTID_0003416
in scheme: Conceptschema Chemische Stoffen
notation: C1y2C1yppnat

kwik
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II (D5) 'kwik en zijn verbindingen' en 'kwik en kwikverbindingen, uitgedrukt als kwik(Hg)' en 'kwik en zijn verbindingen (uitgedrukt in Hg)'
comment: VLAR II bijl. 2.5.8.4 'totaal gasvormig kwik'
comment: VLAR III (D3) 'kwik en zijn verbindingen, uitgedrukt als kwik (Hg)'
comment: VLAR III (D3 art. 3.12.3.1.6) 'kwik'
comment: VLAR II (D2) 'kwik'
comment: VLAR III (D3, diverse art) 'Hg'
comment: VLAR II bijl. 4.4.2 'Kwik en zijn verbindingen, uitgedrukt in Hg'
comment: VLAR III (D3) 'kwik en kwikverbindingen, uitgedrukt als kwik (Hg)'
cas number: 7439-97-6
cas number: 92786-62-4
cas number: 8030-64-6
cas number: 92355-34-5
cas number: 149038-91-5
cas number: 51887-47-9
cas number: 123720-03-6
formula: Hg
inchi: InChI=1S/Hg
iupac name: Mercury @en
pubchem: 23931
smiles: [Hg]
inchikey: QSHDDOUJBYECFT-UHFFFAOYSA-N
is referenced by: LUC I 002
is referenced by: LUC III 010
alternative label: kwik (Hg)
broader: CHEMONTID_0000426
definition: kwik en kwikverbindingen, uitgedrukt als kwik (Hg)
in scheme: Conceptschema Chemische Stoffen
notation: Hg

lood
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'lood en zijn verbindingen, uitgedrukt in Pb'
comment: VLAR II (D2), diverse artikels 'lood'
comment: VLAR III (D3) 'lood-verbindingen, uitgedrukt als Pb'
comment: VLAR III (D3, diverse art) 'Pb'
comment: VLAR II (D5) 'lood en zijn verbindingen, uitgedrukt in/als Pb' 'lood en loodverbindingen, uitgedrukt als lood (Pb)'
comment: VLAR III (D3) 'lood en loodverbindingen, uitgedrukt als lood (Pb)'
comment: VLAR III (D3, diverse art) 'lood en zijn verbindingen, uitgedrukt in Pb'
comment: VLAR bijl. 2.5.2. 'lood'
cas number: 7439-92-1
cas number: 724427-66-1
cas number: 15158-12-0
cas number: 14701-27-0
cas number: 54076-28-7
formula: Pb
inchi: InChI=1S/Pb
iupac name: Lead @en
pubchem: 5352425
smiles: [Pb]
inchikey: WABPQHHGFIMREM-UHFFFAOYSA-N
is referenced by: LUC III 010
is referenced by: LUC I 002
alternative label: lood (Pb)
broader: CHEMONTID_0000427
definition: lood en loodverbindingen, uitgedrukt als lood (Pb)
in scheme: Conceptschema Chemische Stoffen
notation: Pb

aluminiumfosfide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 20859-73-8
formula: AlP
inchi: InChI=1S/Al.P/q+3;-3
iupac name: aluminum phosphorus(-3) anion @en
pubchem: 16126812
smiles: [Al+3].[P-3]
inchikey: PGCGUUGEUBFBPP-UHFFFAOYSA-N
broader: CHEMONTID_0000444
in scheme: Conceptschema Chemische Stoffen
notation: AlP

2,3,3',4,4',6-hexachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 74472-42-7
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-8(15)4-9(16)11(17)12(10)18/h1-4H
iupac name: 1,2,3,5-tetrachloro-4-(3,4-dichlorophenyl)benzene @en
pubchem: 63072
inchikey: ZQUPQXINXTWCQR-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB158

oxolinezuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14698-29-4
formula: C13H11NO5
inchi: InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
iupac name: 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid @en
pubchem: 4628
smiles: CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O
inchikey: KYGZCKSPAKDVKC-UHFFFAOYSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: Oolnzr

linuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 330-55-2
cas number: 56645-87-5
formula: C9H10Cl2N2O2
inchi: InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
iupac name: 3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea @en
pubchem: 9502
smiles: CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC
inchikey: XKJMBINCVNINCA-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: linrn

arsenobetaïne
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 64436-13-1
formula: C5H11AsO2
inchi: InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
iupac name: 2-trimethylarsoniumylacetate @en
pubchem: 47364
smiles: C[As+](C)(C)CC(=O)[O-]
inchikey: SPTHHTGLGVZZRH-UHFFFAOYSA-N
broader: CHEMONTID_0004238
in scheme: Conceptschema Chemische Stoffen

2-methyl-1-propanal
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 78-84-2
cas number: 26140-46-5
formula: C4H8O
inchi: InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
iupac name: 2-Methylpropanal @en
pubchem: 6561
smiles: CC(C)C=O
inchikey: AMIMRNSIRUDHCM-UHFFFAOYSA-N
broader: CHEMONTID_0002230
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y1C3al

ammoniak
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3, diverse art) 'ammoniak'
comment: VLAR II (D2/D5) 'ammoniak' en 'ammoniak (NH3)' en 'NH3'
comment: VLAR III (D3, diverse art) 'NH3'
cas number: 208990-07-2
cas number: 8007-57-6
cas number: 13774-92-0
cas number: 15194-15-7
cas number: 7664-41-7
cas number: 214478-05-4
cas number: 17778-88-0
formula: H3N
inchi: InChI=1S/H3N/h1H3
iupac name: ['$l^{1}-azane', 'azane'] @en
pubchem: 222
smiles: N
inchikey: QGZKDVFQNNGYKY-UHFFFAOYSA-N
is referenced by: LUC III 003
alternative label: ammoniak (NH3)
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen
notation: NH3

4-cyaan-1,2,3,4-tetrahydro-1-naftaleenacetonitril
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 57964-40-6
formula: C14H14N2
inchi: InChI=1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2
iupac name: 4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile @en
pubchem: 154380
smiles: C1CC(C2=CC=CC=C2C1CCC#N)C#N
inchikey: JRUGFHHEKLYFPC-UHFFFAOYSA-N
broader: CHEMONTID_0000048
in scheme: Conceptschema Chemische Stoffen
notation: 4CN1234T4HNa

2,4-d isopropyl ester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 94-11-1
formula: C11H12Cl2O3
inchi: InChI=1S/C11H12Cl2O3/c1-7(2)16-11(14)6-15-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
iupac name: propan-2-yl 2-(2,4-dichlorophenoxy)acetate @en
pubchem: 7173
smiles: CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl
inchikey: WHOKDONDRZNCBC-UHFFFAOYSA-N
alternative label: 2,4-D isopropyl ester
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: 24DiC3yEsr

iso-carbamid
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 30979-48-7
formula: C8H15N3O2
inchi: InChI=1S/C8H15N3O2/c1-6(2)5-10-8(13)11-4-3-9-7(11)12/h6H,3-5H2,1-2H3,(H,9,12)(H,10,13)
iupac name: N-(2-methylpropyl)-2-oxoimidazolidine-1-carboxamide @en
pubchem: 35699
smiles: CC(C)CNC(=O)N1CCNC1=O
inchikey: SBYAVOHNDJTVPA-UHFFFAOYSA-N
broader: CHEMONTID_0000079
in scheme: Conceptschema Chemische Stoffen
notation: icbmd

dicyclohexylftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 55819-02-8
cas number: 169741-16-6
cas number: 84-61-7
formula: C20H26O4
inchi: InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
iupac name: dicyclohexyl benzene-1,2-dicarboxylate @en
pubchem: 6777
inchikey: VOWAEIGWURALJQ-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DccC6yFt

fenothiocarb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 62850-32-2
formula: C13H19NO2S
inchi: InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
iupac name: S-[4-(phenoxy)butyl] dimethylaminomethanethioate @en
pubchem: 44178
smiles: CN(C)C(=O)SCCCCOC1=CC=CC=C1
inchikey: HMIBKHHNXANVHR-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: gentocb

niobium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7440-03-1
cas number: 26842-13-7
formula: Nb
inchi: InChI=1S/Nb
iupac name: NIOBIUM @en
pubchem: 23936
smiles: [Nb]
inchikey: GUCVJGMIXFAOAE-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Nb

didodecyldimethylammonium bromide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3282-73-3
cas number: 13146-86-6
formula: C26H56BrN
inchi: InChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
iupac name: didodecyl-dimethylazanium bromide @en
pubchem: 18669
smiles: CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]
inchikey: XRWMGCFJVKDVMD-UHFFFAOYSA-M
alternative label: didodecyldimethylammonium
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: DC12yDC1yNH4

3-methylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15831-10-4
cas number: 108-39-4
formula: C7H8O
inchi: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
iupac name: 3-methylphenol @en
pubchem: 342
smiles: CC1=CC(=CC=C1)O
inchikey: RLSSMJSEOOYNOY-UHFFFAOYSA-N
alternative label: m-cresol
alternative label: 3-methylfenol (m-cresol)
broader: CHEMONTID_0001273
in scheme: Conceptschema Chemische Stoffen
notation: mcresl

dichloormethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II Art. 5.23.1.1.
comment: VLAR II Art. 5.4.3.1.4 'methyleenchloride'
comment: VLAR II bijl. 4.4.2
cas number: 75-09-2
cas number: 1605-72-7
formula: CH2Cl2
inchi: InChI=1S/CH2Cl2/c2-1-3/h1H2
iupac name: Dichloromethane @en
pubchem: 6344
smiles: C(Cl)Cl
inchikey: YMWUJEATGCHHMB-UHFFFAOYSA-N
is referenced by: LUC IV 000co:WAC IV B 040
is referenced by: LUC IV 002
is referenced by: LUC IV 011
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: DClC1a

tert-butylamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 94896-77-2
cas number: 75-64-9
formula: C4H11N
inchi: InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
iupac name: 2-methylpropan-2-amine @en
pubchem: 6385
smiles: CC(C)(C)N
inchikey: YBRBMKDOPFTVDT-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: ttC4yAe

omeprazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 131959-78-9
cas number: 73590-58-6
cas number: 172964-80-6
formula: C17H19N3O3S
inchi: InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
iupac name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole @en
pubchem: 4594
inchikey: SUBDBMMJDZJVOS-UHFFFAOYSA-N
broader: CHEMONTID_0001891
in scheme: Conceptschema Chemische Stoffen
notation: ompzl

salbutamol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 18559-94-9
cas number: 35763-26-9
formula: C13H21NO3
inchi: InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
iupac name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol @en
pubchem: 2083
smiles: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O
inchikey: NDAUXUAQIAJITI-UHFFFAOYSA-N
broader: CHEMONTID_0000033
in scheme: Conceptschema Chemische Stoffen
notation: salbtml

methoxyfenozide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 163442-56-6
cas number: 161050-58-4
formula: C22H28N2O3
inchi: InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
iupac name: N-tert-butyl-N'-(3-methoxy-2-methylbenzoyl)-3,5-dimethylbenzohydrazide @en
pubchem: 105010
inchikey: QCAWEPFNJXQPAN-UHFFFAOYSA-N
broader: CHEMONTID_0000176
in scheme: Conceptschema Chemische Stoffen
notation: C1oxfnzde

2-nitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 57158-05-1
cas number: 88-72-2
formula: C7H7NO2
inchi: InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
iupac name: 1-Methyl-2-nitrobenzene @en
pubchem: 6944
smiles: CC1=CC=CC=C1[N+](=O)[O-]
inchikey: PLAZTCDQAHEYBI-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 2NO2Tol

2,2',4,4',6,6'-hexachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 33979-03-2
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H
iupac name: 1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene @en
pubchem: 36647
inchikey: ICOAEPDGFWLUTI-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB155

2,2',3,3',4,4',5,5'-octachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 35694-08-7
formula: C12H2Cl8
inchi: InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H
iupac name: 1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene @en
pubchem: 37251
inchikey: DTMRKGRREZAYAP-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB194

prometon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1610-18-0
cas number: 11126-75-3
formula: C10H19N5O
inchi: InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
iupac name: 6-methoxy-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en
pubchem: 4928
smiles: CC(C)NC1=NC(=NC(=N1)OC)NC(C)C
inchikey: ISEUFVQQFVOBCY-UHFFFAOYSA-N
broader: CHEMONTID_0004731
in scheme: Conceptschema Chemische Stoffen
notation: promtn

trimethoprim
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 738-70-5
formula: C14H18N4O3
inchi: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
iupac name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine @en
pubchem: 5578
smiles: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
inchikey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
broader: CHEMONTID_0000138
in scheme: Conceptschema Chemische Stoffen
notation: Tmtpm

cerium 144
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14762-78-8
formula: Ce
inchi: InChI=1S/Ce/i1+4
iupac name: cerium-144 @en
pubchem: 26874
smiles: [Ce]
inchikey: GWXLDORMOJMVQZ-RNFDNDRNSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Ce144

cis-1,3-dichloorpropeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 542-75-6
cas number: 10061-01-5
formula: C3H4Cl2
inchi: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-
iupac name: (Z)-1,3-dichloroprop-1-ene @en
pubchem: 5280970
smiles: C(C=CCl)Cl
inchikey: UOORRWUZONOOLO-UPHRSURJSA-N
alternative label: 1,3-dichloorpropeen
alternative label: 1,3-dichloorpropeen (cis+trans)
alternative label: 1,3-dichloorpropeen, cis
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: c13DClC3e
notation: 13DClC3e

pipamperon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2448-68-2
cas number: 1893-33-0
formula: C21H32Cl2FN3O2
inchi: InChI=1S/C21H30FN3O2.2ClH/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;;/h6-9H,1-5,10-16H2,(H2,23,27);2*1H
iupac name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride @en
pubchem: 17139
smiles: C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.[Cl-].[Cl-]
inchikey: BMXXSXQVMCXGJM-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: pipprn

magnesium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 22537-22-0
cas number: 7439-95-4
formula: Mg+2
inchi: InChI=1S/Mg/q+2
iupac name: magnesium(+2) cation @en
pubchem: 888
smiles: [Mg+2]
inchikey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
is referenced by: WAC III A 009
alternative label: magnesium, tweewaardig
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Mg

2-chloorpropeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 557-98-2
formula: C3H5Cl
inchi: InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3
iupac name: 2-chloroprop-1-ene @en
pubchem: 11203
smiles: CC(=C)Cl
inchikey: PNLQPWWBHXMFCA-UHFFFAOYSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: 2ClC3e

dimethylbenzylamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 103-83-3
cas number: 59125-51-8
cas number: 28262-13-7
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
iupac name: N,N-dimethyl-1-phenylmethanamine @en
pubchem: 7681
smiles: CN(C)CC1=CC=CC=C1
inchikey: XXBDWLFCJWSEKW-UHFFFAOYSA-N
broader: CHEMONTID_0000185
in scheme: Conceptschema Chemische Stoffen
notation: DC1ybenzAe

levonorgestrel
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6533-00-2
cas number: 797-62-6
cas number: 4222-79-1
cas number: 121714-72-5
cas number: 797-63-7
formula: C21H28O2
inchi: InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
iupac name: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 13109
smiles: CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
inchikey: WWYNJERNGUHSAO-XUDSTZEESA-N
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
notation: levngsl

flucloxacilline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 5250-39-5
formula: C19H17ClFN3O5S
iupac name: (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid @en
pubchem: 21319
inchikey: UIOFUWFRIANQPC-JKIFEVAISA-N
broader: CHEMONTID_0004830
in scheme: Conceptschema Chemische Stoffen
notation: flucaclne

naftaleen-1,3,5-trisulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 6654-64-4
formula: C10H8O9S3
inchi: InChI=1S/C10H8O9S3/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
iupac name: naphthalene-1,3,5-trisulfonic acid @en
pubchem: 81165
inchikey: INMHJULHWVWVFN-UHFFFAOYSA-N
broader: CHEMONTID_0003601
in scheme: Conceptschema Chemische Stoffen
notation: Naf135Tsfzr

2-acetylpyrrol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1072-83-9
formula: C6H7NO
inchi: InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
iupac name: 1-(1H-Pyrrol-2-yl)ethanone @en
pubchem: 14079
smiles: CC(=O)C1=CC=CN1
inchikey: IGJQUJNPMOYEJY-UHFFFAOYSA-N
broader: CHEMONTID_0003671
in scheme: Conceptschema Chemische Stoffen
notation: 2actprl

m-benzidine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2050-89-7
formula: C12H12N2
inchi: InChI=1S/C12H12N2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,13-14H2
iupac name: 3-(3-aminophenyl)aniline @en
pubchem: 74912
smiles: C1=CC(=CC(=C1)N)C2=CC(=CC=C2)N
inchikey: NDXGRHCEHPFUSU-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: mbenzdne

dioxathion
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 78-34-2
formula: C12H26O6P2S4
inchi: InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
iupac name: (3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidenephosphorane @en
pubchem: 6531
smiles: CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC
inchikey: VBKKVDGJXVOLNE-UHFFFAOYSA-N
broader: CHEMONTID_0001313
in scheme: Conceptschema Chemische Stoffen
notation: DOxton

gadobeenzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 113662-23-0
cas number: 127000-20-8
cas number: 12700-20-8
formula: C36H62GdN5O21
inchi: InChI=1S/C22H31N3O11.2C7H17NO5.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1
iupac name: 2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]-3-phenylmethoxypropanoate; gadolinium(+3) cation; hydron; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol @en
pubchem: 197281
smiles: [H+].[H+].CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
inchikey: OCDAWJYGVOLXGZ-VPVMAENOSA-K
broader: CHEMONTID_0002995
in scheme: Conceptschema Chemische Stoffen
notation: gadbzr

2,2',3,3',4,4',5,6,6'-nonachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 52663-79-3
formula: C12HCl9
inchi: InChI=1S/C12HCl9/c13-2-1-3(14)6(15)7(16)4(2)5-8(17)10(19)12(21)11(20)9(5)18/h1H
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4,6-tetrachlorophenyl)benzene @en
pubchem: 91648
inchikey: YGDPIDTZOQGPAX-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB207

gadolinium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7440-54-2
cas number: 87677-94-9
cas number: 110123-54-1
formula: Gd
inchi: InChI=1S/Gd
iupac name: GADOLINIUM @en
pubchem: 23982
smiles: [Gd]
inchikey: UIWYJDYFSGRHKR-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Gd

zinkoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 8047-69-6
cas number: 8011-84-5
cas number: 1314-13-2
cas number: 8050-42-8
cas number: 56592-00-8
cas number: 8047-36-7
cas number: 78590-82-6
cas number: 185461-95-4
cas number: 57206-86-7
cas number: 8051-03-4
formula: OZn
inchi: InChI=1S/O.Zn
iupac name: oxozinc @en
pubchem: 14806
smiles: O=[Zn]
inchikey: XLOMVQKBTHCTTD-UHFFFAOYSA-N
broader: CHEMONTID_0000538
in scheme: Conceptschema Chemische Stoffen
notation: ZnO

1-chloordodecaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 112-52-7
formula: C12H25Cl
inchi: InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
iupac name: 1-Chlorododecane @en
pubchem: 8192
smiles: CCCCCCCCCCCCCl
inchikey: YAYNEUUHHLGGAH-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 1ClC12a

benzoylprop
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 22212-56-2
formula: C16H13Cl2NO3
inchi: InChI=1S/C16H13Cl2NO3/c1-10(16(21)22)19(12-7-8-13(17)14(18)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)
iupac name: 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoic acid @en
pubchem: 90756
inchikey: WZZRJCUYSKKFHO-UHFFFAOYSA-N
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: benzypp

2,6-dichloornitrobenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 601-88-7
formula: C6H3Cl2NO2
inchi: InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
iupac name: 1,3-Dichloro-2-nitrobenzene @en
pubchem: 11759
smiles: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl
inchikey: VITSNECNFNNVQB-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen

bis(2-ethylhexyl)ftalaat (dehp)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 117-81-7
cas number: 82208-43-3
cas number: 275818-89-8
cas number: 15495-94-0
cas number: 126639-29-0
cas number: 50885-87-5
cas number: 137718-37-7
cas number: 40120-69-2
cas number: 205180-59-2
cas number: 8033-53-2
formula: C24H38O4
inchi: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
iupac name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate @en
pubchem: 8343
inchikey: BJQHLKABXJIVAM-UHFFFAOYSA-N
alternative label: bis-(2-ethylhexyl)-ftalaat
alternative label: bis(2-ethylhexyl)ftalaat (DEHP)
alternative label: di(2-ethylhexyl)-ftalaat (dehp)
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DEHP

buprenorfine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 55327-62-3
cas number: 53187-13-6
cas number: 53152-21-9
cas number: 64425-21-4
cas number: 52485-79-7
formula: C29H42ClNO4
inchi: InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29?;/m1./s1
iupac name: (1S,2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride @en
pubchem: 11969480
inchikey: UAIXRPCCYXNJMQ-CHLZSUIASA-N
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: bupofne

3,4-dichloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-77-2
formula: C6H4Cl2O
inchi: InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
iupac name: 3,4-Dichlorophenol @en
pubchem: 7258
smiles: C1=CC(=C(C=C1O)Cl)Cl
inchikey: WDNBURPWRNALGP-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 34DClFol

tebufenpyrad
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 119168-77-3
formula: C18H24ClN3O
inchi: InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
iupac name: N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide @en
pubchem: 86354
inchikey: ZZYSLNWGKKDOML-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: tebfprd

thioureum
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 62-56-6
formula: CH4N2S
inchi: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
iupac name: Thiourea @en
pubchem: 6118
smiles: C(=N)(N)S
inchikey: UMGDCJDMYOKAJW-UHFFFAOYSA-N
broader: CHEMONTID_0001209
in scheme: Conceptschema Chemische Stoffen
notation: tourm

pcb77
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 32598-13-3
cas number: 80333-65-9
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
iupac name: 1,2-dichloro-4-(3,4-dichlorophenyl)benzene @en
pubchem: 36187
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl
inchikey: UQMGJOKDKOLIDP-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 3,3',4,4'-tetrachloorbifenyl (pcb77)
alternative label: 3,3',4,4'-tetrachloorbifenyl
alternative label: pcb 77
alternative label: PCB77
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB77

vanilline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 8014-42-4
cas number: 52447-63-9
cas number: 121-33-5
formula: C8H8O3
inchi: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
iupac name: 4-Hydroxy-3-methoxybenzaldehyde @en
pubchem: 1183
smiles: COC1=C(C=CC(=C1)C=O)O
inchikey: MWOOGOJBHIARFG-UHFFFAOYSA-N
broader: CHEMONTID_0000190
in scheme: Conceptschema Chemische Stoffen
notation: vanlne

dimethylamine-hydrochloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 506-59-2
formula: C2H8ClN
inchi: InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H
iupac name: ['N-Methylmethanamine hydrochloride', 'hydron; N-methylmethanamine; chloride'] @en
pubchem: 10473
smiles: CNC.Cl
inchikey: IQDGSYLLQPDQDV-UHFFFAOYSA-N
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: DC1yAeHCl

butyl ftalyl butyl glycolaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 85-70-1
formula: C18H24O6
inchi: InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
iupac name: O2-(2-butoxy-2-oxoethyl) O1-butyl benzene-1,2-dicarboxylate @en
pubchem: 6819
smiles: CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC
inchikey: GOJCZVPJCKEBQV-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: C4yFtyC4ygcl

pyridaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 55512-33-9
formula: C19H23ClN2O2S
iupac name: (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate @en
pubchem: 41463
inchikey: JTZCTMAVMHRNTR-UHFFFAOYSA-N
broader: CHEMONTID_0004147
in scheme: Conceptschema Chemische Stoffen
notation: pyrdt

4-tert-butylfenylglycidylether
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 71281-67-9
cas number: 99938-81-5
cas number: 3101-60-8
cas number: 128994-01-4
cas number: 124632-41-3
cas number: 29298-03-1
formula: C13H18O2
inchi: InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3
iupac name: 2-[(4-tert-butylphenoxy)methyl]oxirane @en
pubchem: 18360
smiles: CC(C)(C)C1=CC=C(C=C1)OCC2CO2
inchikey: HHRACYLRBOUBKM-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 4ttC4yFygcdE

1-chloor-1,1-difluorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 65762-25-6
cas number: 75-68-3
formula: C2H3ClF2
inchi: InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3
iupac name: 1-Chloro-1,1-difluoroethane @en
pubchem: 6388
smiles: CC(F)(F)Cl
inchikey: BHNZEZWIUMJCGF-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK142b

n-(1-methylpropyl)-2-butaanamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 626-23-3
formula: C8H19N
inchi: InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3
iupac name: N-butan-2-ylbutan-2-amine @en
pubchem: 12277
smiles: CCC(C)NC(C)CC
inchikey: OBYVIBDTOCAXSN-UHFFFAOYSA-N
alternative label: N-(1-methylpropyl)-2-butaanamine
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: N1C1yC3y2C4a

2,2',3,4',5',6-hexachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 38380-04-0
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H
iupac name: 1,2,4-trichloro-5-(2,3,6-trichlorophenyl)benzene @en
pubchem: 38016
inchikey: LKHLFUVHHXCNJH-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB149

metalaxyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 102256-63-3
cas number: 57837-19-1
formula: C15H21NO4
inchi: InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
iupac name: methyl 2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoate @en
pubchem: 42586
smiles: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC
inchikey: ZQEIXNIJLIKNTD-UHFFFAOYSA-N
broader: CHEMONTID_0000394
in scheme: Conceptschema Chemische Stoffen
notation: mlxl

4,6-dichloor-2-methylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1570-65-6
formula: C7H6Cl2O
inchi: InChI=1S/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
iupac name: 2,4-Dichloro-6-methylphenol @en
pubchem: 15292
smiles: CC1=CC(=CC(=C1O)Cl)Cl
inchikey: WJQZZLQMLJPKQH-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 46DCl2C1yFol

methylethylpyridine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 104-90-5
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3
iupac name: 5-Ethyl-2-methylpyridine @en
pubchem: 7728
smiles: CCC1=CN=C(C=C1)C
inchikey: NTSLROIKFLNUIJ-UHFFFAOYSA-N
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
notation: C1yC2yprdne

hydroxybenzothiazole
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 60362-05-2
cas number: 934-34-9
cas number: 92353-21-4
cas number: 4464-59-9
formula: C7H5NOS
inchi: InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
iupac name: 3H-1,3-benzothiazol-2-one @en
pubchem: 13625
smiles: C1=CC=C2C(=C1)NC(=O)S2
inchikey: YEDUAINPPJYDJZ-UHFFFAOYSA-N
alternative label: 2-hydroxybenzothiazol
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 2HOxbenztazl

demeton-o-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 867-27-6
formula: C6H15O3PS2
inchi: InChI=1S/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3
iupac name: 2-ethylsulfanylethoxy-dimethoxy-sulfanylidenephosphorane @en
pubchem: 13346
smiles: CCSCCOP(=S)(OC)OC
inchikey: ZVZQKNVMDKSGGF-UHFFFAOYSA-N
broader: CHEMONTID_0003384
in scheme: Conceptschema Chemische Stoffen

furathiocarb
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 78320-89-5
cas number: 65907-30-4
formula: C18H26N2O5S
inchi: InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3
iupac name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(butoxycarbonyl-methylamino)sulfanyl-N-methylcarbamate @en
pubchem: 47759
inchikey: HAWJXYBZNNRMNO-UHFFFAOYSA-N
broader: CHEMONTID_0004189
in scheme: Conceptschema Chemische Stoffen
notation: furtocb

iopamidol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 60166-93-0
formula: C17H22I3N3O8
inchi: InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1
iupac name: N,N'-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide @en
pubchem: 65492
inchikey: XQZXYNRDCRIARQ-LURJTMIESA-N
alternative label: jopamidol
broader: CHEMONTID_0004361
in scheme: Conceptschema Chemische Stoffen
notation: jopmdl

uranium 234
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13966-29-5
formula: U
inchi: InChI=1S/U/i1-4
iupac name: uranium-234 @en
pubchem: 61704
smiles: [U]
inchikey: JFALSRSLKYAFGM-AHCXROLUSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: U234

1,3-dinitrobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 99-65-0
formula: C6H4N2O4
inchi: InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
iupac name: 1,3-Dinitrobenzene @en
pubchem: 7452
smiles: C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
inchikey: WDCYWAQPCXBPJA-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 13DNO2Ben

perfluor-4-ethylcyclohexaansulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 646-83-3
formula: C8HF15O3S
inchi: InChI=1S/C8HF15O3S/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13/h(H,24,25,26)
iupac name: 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonic acid @en
pubchem: 101650
inchikey: ICKAEAFPESRWOT-UHFFFAOYSA-N
broader: CHEMONTID_0004485
in scheme: Conceptschema Chemische Stoffen
notation: PFECHS

ethylhexaandiol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1321-34-2
cas number: 94-96-2
formula: C8H18O2
inchi: InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3
iupac name: 2-Ethylhexane-1,3-diol @en
pubchem: 7211
smiles: CCCC(C(CC)CO)O
inchikey: RWLALWYNXFYRGW-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: C2yC6aDol

sulfamerazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 127-79-7
cas number: 99482-27-6
formula: C11H12N4O2S
inchi: InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
iupac name: 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide @en
pubchem: 5325
smiles: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N
inchikey: QPPBRPIAZZHUNT-UHFFFAOYSA-N
alternative label: sulfamerazin
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: sulfmrzn

octamethylcyclotetrasiloxaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 104986-37-0
cas number: 83874-62-8
cas number: 556-67-2
formula: C8H24O4Si4
inchi: InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3
iupac name: 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane @en
pubchem: 11169
inchikey: HMMGMWAXVFQUOA-UHFFFAOYSA-N
broader: CHEMONTID_0004445
in scheme: Conceptschema Chemische Stoffen
notation: OcC1yccT4slx

1,4-dibutoxybenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 104-36-9
formula: C14H22O2
inchi: InChI=1S/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
iupac name: 1,4-Dibutoxybenzene @en
pubchem: 66911
smiles: CCCCOC1=CC=C(C=C1)OCCCC
inchikey: ZROGCHDPRZRKTI-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: 14DC4oxBen

profam
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 122-42-9
formula: C10H13NO2
inchi: InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
iupac name: propan-2-yl N-phenylcarbamate @en
pubchem: 24685
smiles: CC(C)OC(=O)NC1=CC=CC=C1
inchikey: VXPLXMJHHKHSOA-UHFFFAOYSA-N
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
notation: profm

1,1,2-trichloortrifluorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 57762-34-2
cas number: 76-13-1
cas number: 39349-94-5
cas number: 59948-56-0
cas number: 56996-61-3
formula: C2Cl3F3
inchi: InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
iupac name: 1,1,2-Trichloro-1,2,2-trifluoroethane @en
pubchem: 6428
smiles: C(C(F)(Cl)Cl)(F)(F)Cl
inchikey: AJDIZQLSFPQPEY-UHFFFAOYSA-N
alternative label: 1,1,2-trichloortrifluor-ethaan
alternative label: 1,1,2-trichloor-1,2,2-trifluorethaan
broader: CHEMONTID_0004521
in scheme: Conceptschema Chemische Stoffen
notation: CFK113

pyracarbolid
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 24691-76-7
formula: C13H15NO2
inchi: InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)
iupac name: 2-methyl-N-phenyl-5,6-dihydro-4H-pyran-3-carboxamide @en
pubchem: 32597
smiles: CC1=C(CCCO1)C(=O)NC2=CC=CC=C2
inchikey: YPCALTGLHFLNGA-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: pyrcbld

koolstofdioxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II (D1, definities)
comment: VLAR III (D3, Art. 3.6.2.6.1) (CO2-gehalte'
cas number: 39310-68-4
cas number: 122427-25-2
cas number: 18923-20-1
cas number: 12181-60-1
cas number: 85540-96-1
cas number: 34496-91-8
cas number: 124-38-9
formula: CO2
inchi: InChI=1S/CO2/c2-1-3
iupac name: carbon dioxide @en
pubchem: 280
smiles: C(=O)=O
inchikey: CURLTUGMZLYLDI-UHFFFAOYSA-N
is referenced by: LUC II 001
alternative label: koolstofdioxide (CO2)
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen
notation: CO2

dibroomacetonitril
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3252-43-5
formula: C2HBr2N
inchi: InChI=1S/C2HBr2N/c3-2(4)1-5/h2H
iupac name: 2,2-dibromoacetonitrile @en
pubchem: 18617
smiles: C(#N)C(Br)Br
inchikey: NDSBDLSWTGLNQA-UHFFFAOYSA-N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: DBractntl

p-terfenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 75831-65-1
cas number: 26140-60-3
cas number: 92-94-4
cas number: 94363-13-0
formula: C18H14
inchi: InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
iupac name: 1,4-di(phenyl)benzene @en
pubchem: 7115
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
inchikey: XJKSTNDFUHDPQJ-UHFFFAOYSA-N
broader: CHEMONTID_0002126
in scheme: Conceptschema Chemische Stoffen
notation: pTFy

quinoline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 91-22-5
cas number: 20214-07-7
formula: C9H7N
inchi: InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
iupac name: Quinoline @en
pubchem: 7047
smiles: C1=CC=C2C(=C1)C=CC=N2
inchikey: SMWDFEZZVXVKRB-UHFFFAOYSA-N
broader: CHEMONTID_0001253
in scheme: Conceptschema Chemische Stoffen
notation: quinlne

americium 241
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 14596-10-2
cas number: 86954-36-1
formula: Am
inchi: InChI=1S/Am/i1-2
iupac name: americium-241 @en
pubchem: 104726
smiles: [Am]
inchikey: LXQXZNRPTYVCNG-YPZZEJLDSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Am241

difluor
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7782-41-4
cas number: 28077-97-6
formula: F2
inchi: InChI=1S/F2/c1-2
iupac name: molecular fluorine @en
pubchem: 24524
smiles: FF
inchikey: PXGOKWXKJXAPGV-UHFFFAOYSA-N
broader: CHEMONTID_0000432
in scheme: Conceptschema Chemische Stoffen
notation: F2

9-butyldocosaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 55282-14-9
formula: C26H54
inchi: InChI=1S/C26H54/c1-4-7-10-12-14-15-16-17-18-20-22-25-26(23-9-6-3)24-21-19-13-11-8-5-2/h26H,4-25H2,1-3H3
iupac name: 9-butyldocosane @en
pubchem: 291309
smiles: CCCCCCCCCCCCCC(CCCC)CCCCCCCC
inchikey: OIHDCDZZRDGEIB-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 9C4yC22a

2,6-dichloor-3-methylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 64063-37-2
formula: C7H7Cl2N
inchi: InChI=1S/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3
iupac name: 2,6-Dichloro-3-methylaniline @en
pubchem: 116529
smiles: CC1=C(C(=C(C=C1)Cl)N)Cl
inchikey: AYVZXDFCFQSWJD-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 26DCl3C1yAn

perfluorpentaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2706-90-3
formula: C5HF9O2
inchi: InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
iupac name: 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid @en
pubchem: 75921
smiles: C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
inchikey: CXZGQIAOTKWCDB-UHFFFAOYSA-N
alternative label: perfluor-n-pentaanzuur
alternative label: perfluor-n-pentaanzuur (pfpea)
alternative label: perfluorpentaanzuur (pfpea)
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFPA
notation: PFPeA

carbetamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 16118-49-3
formula: C12H16N2O3
inchi: InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
iupac name: [(2S)-1-ethylamino-1-oxopropan-2-yl] N-phenylcarbamate @en
pubchem: 443067
smiles: CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1
inchikey: AMRQXHFXNZFDCH-VIFPVBQESA-N
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
notation: carbtAd

tri(2-chloorethyl)fosfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 115-96-8
cas number: 68411-66-5
cas number: 21343-84-0
formula: C6H12Cl3O4P
inchi: InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
iupac name: ['Tris(2-chloroethyl) phosphate', 'tris(2-chloroethoxy)-hydroxyphosphanium'] @en
pubchem: 8295
smiles: C(CCl)OP(=O)(OCCCl)OCCCl
inchikey: HQUQLFOMPYWACS-UHFFFAOYSA-N
alternative label: tris-(2-chloorethyl)-fosfaat
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: T2ClC2yPO4

3-isopropylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 618-45-1
cas number: 90480-88-9
formula: C9H12O
inchi: InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3
iupac name: 3-propan-2-ylphenol @en
pubchem: 12059
smiles: CC(C)C1=CC(=CC=C1)O
inchikey: VLJSLTNSFSOYQR-UHFFFAOYSA-N
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: 3iC3yFol

kobalt 58
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13981-38-9
formula: Co
inchi: InChI=1S/Co/i1-1
iupac name: cobalt-58 @en
pubchem: 104844
smiles: [Co]
inchikey: GUTLYIVDDKVIGB-BJUDXGSMSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Co58

sulcofuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 24019-05-4
formula: C19H12Cl4N2O5S
iupac name: 5-chloro-2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonic acid @en
pubchem: 62506
inchikey: MKUMTCOTMQPYTQ-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: sulcfrn

methyl-3-hydroxyfenylcarbamaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13683-89-1
formula: C8H9NO3
inchi: InChI=1S/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)
iupac name: methyl N-(3-hydroxyphenyl)carbamate @en
pubchem: 26181
smiles: COC(=O)NC1=CC(=CC=C1)O
inchikey: FFQQCJGNKKIRMD-UHFFFAOYSA-N
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
notation: MHPC

1,1,2-trichloorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 79-00-5
formula: C2H3Cl3
inchi: InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
iupac name: 1,1,2-TRICHLOROETHANE @en
pubchem: 6574
smiles: C(C(Cl)Cl)Cl
inchikey: UBOXGVDOUJQMTN-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 002
is referenced by: LUC IV 011
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 112TClC2a

2,2',3,3',4,4',5,5',6,6'-decabroombifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13654-09-6
cas number: 39282-95-6
formula: C12Br10
inchi: InChI=1S/C12Br10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
iupac name: 1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenyl)benzene @en
pubchem: 26164
inchikey: AQPHBYQUCKHJLT-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: PBB209

tiapride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51012-32-9
formula: C15H25ClN2O4S
inchi: InChI=1S/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H
iupac name: diethyl-[2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]ethyl]azanium chloride @en
pubchem: 39855
inchikey: OTFDPNXIVHBTKW-UHFFFAOYSA-N
broader: CHEMONTID_0000178
in scheme: Conceptschema Chemische Stoffen
notation: tiapde

tetraethylpyrofosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 107-49-3
formula: C8H20O7P2
inchi: InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3
iupac name: diethoxyphosphoryl diethyl phosphate @en
pubchem: 7873
smiles: CCOP(=O)(OCC)OP(=O)(OCC)OCC
inchikey: IDCBOTIENDVCBQ-UHFFFAOYSA-N
broader: CHEMONTID_0001804
in scheme: Conceptschema Chemische Stoffen
notation: TEPP

fuberidazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3878-19-1
formula: C11H8N2O
inchi: InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)
iupac name: 2-furan-2-yl-1H-benzimidazole @en
pubchem: 19756
smiles: C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3
inchikey: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
broader: CHEMONTID_0000294
in scheme: Conceptschema Chemische Stoffen
notation: fubrdzl

curium 245
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15621-76-8
formula: Cm
inchi: InChI=1S/Cm/i1-2
iupac name: curium-245 @en
pubchem: 167319
smiles: [Cm]
inchikey: NIWWFAAXEMMFMS-YPZZEJLDSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Cm245

2,6-dimethylquinoline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 877-43-0
formula: C11H11N
inchi: InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
iupac name: 2,6-Dimethylquinoline @en
pubchem: 13414
smiles: CC1=CC2=C(C=C1)N=C(C=C2)C
inchikey: JJPSZKIOGBRMHK-UHFFFAOYSA-N
broader: CHEMONTID_0001253
in scheme: Conceptschema Chemische Stoffen
notation: 26DC1yqnlne

paracetamol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 8055-08-1
cas number: 103-90-2
formula: C8H9NO2
inchi: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
iupac name: N-(4-Hydroxyphenyl)acetamide @en
pubchem: 1983
smiles: CC(=O)NC1=CC=C(C=C1)O
inchikey: RZVAJINKPMORJF-UHFFFAOYSA-N
broader: CHEMONTID_0004646
in scheme: Conceptschema Chemische Stoffen
notation: parctml

1,3,5-trinitrobenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 99-35-4
formula: C6H3N3O6
inchi: InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
iupac name: 1,3,5-Trinitrobenzene @en
pubchem: 7434
smiles: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchikey: UATJOMSPNYCXIX-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 135TNO2Ben

quinoxyfen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 124495-18-7
formula: C15H8Cl2FNO
inchi: InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H
iupac name: 5,7-dichloro-4-(4-fluorophenoxy)quinoline @en
pubchem: 3391107
inchikey: WRPIRSINYZBGPK-UHFFFAOYSA-N
broader: CHEMONTID_0002463
in scheme: Conceptschema Chemische Stoffen
notation: quinoxfn

1,1-dimethylethyl-2-methoxyfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 53894-31-8
formula: C11H16O2
inchi: InChI=1S/C11H16O2/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5-7,12H,1-4H3
iupac name: 4-tert-butyl-2-methoxyphenol @en
pubchem: 40919
smiles: CC(C)(C)C1=CC(=C(C=C1)O)OC
inchikey: SERZNTMEVJWJSA-UHFFFAOYSA-N
broader: CHEMONTID_0000190
in scheme: Conceptschema Chemische Stoffen
notation: 11DC1yC2y2C1

2-naftylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 91-59-8
formula: C10H9N
inchi: InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2
iupac name: naphthalen-2-amine @en
pubchem: 7057
smiles: C1=CC=C2C=C(C=CC2=C1)N
inchikey: JBIJLHTVPXGSAM-UHFFFAOYSA-N
alternative label: 2-aminonaftaleen
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 2AoNaf

2,4,5-trichloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-95-4
cas number: 77001-45-7
formula: C6H3Cl3O
inchi: InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
iupac name: 2,4,5-Trichlorophenol @en
pubchem: 7271
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)O
inchikey: LHJGJYXLEPZJPM-UHFFFAOYSA-N
broader: CHEMONTID_0002772
in scheme: Conceptschema Chemische Stoffen
notation: 245TClFol

fenofibraat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 49562-28-9
formula: C20H21ClO4
inchi: InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
iupac name: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate @en
pubchem: 3339
inchikey: YMTINGFKWWXKFG-UHFFFAOYSA-N
broader: CHEMONTID_0000120
in scheme: Conceptschema Chemische Stoffen
notation: fenfbt

lithium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7439-93-2
cas number: 64975-42-4
cas number: 159577-72-7
formula: Li
inchi: InChI=1S/Li
iupac name: LITHIUM @en
pubchem: 3028194
smiles: [Li]
inchikey: WHXSMMKQMYFTQS-UHFFFAOYSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Li

cortison
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 53-06-5
formula: C21H28O5
inchi: InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
iupac name: (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione @en
pubchem: 222786
inchikey: MFYSYFVPBJMHGN-ZPOLXVRWSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: cortsn

dipicrylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 131-73-7
formula: C12H5N7O12
inchi: InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H
iupac name: 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline @en
pubchem: 8576
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchikey: CBCIHIVRDWLAME-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: DpicAe

dipropyleenglycol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25265-71-8
formula: C6H14O3
inchi: InChI=1S/C6H14O3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3
iupac name: 1-(1-hydroxypropoxy)propan-1-ol @en
pubchem: 6537503
smiles: CCC(O)OC(CC)O
inchikey: QYSXYAURTRCDJU-UHFFFAOYSA-N
broader: CHEMONTID_0001092
in scheme: Conceptschema Chemische Stoffen
notation: DC3eygcl

mesalazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 89-57-6
cas number: 61513-32-4
formula: C7H7NO3
inchi: InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
iupac name: 5-Amino-2-hydroxybenzoic acid @en
pubchem: 4075
smiles: C1=CC(=C(C=C1N)C(=O)O)O
inchikey: KBOPZPXVLCULAV-UHFFFAOYSA-N
broader: CHEMONTID_0002948
in scheme: Conceptschema Chemische Stoffen
notation: meslzne

di-isohexylftalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 146-50-9
cas number: 71850-09-4
cas number: 68515-50-4
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3
iupac name: bis(4-methylpentyl) benzene-1,2-dicarboxylate @en
pubchem: 8970
smiles: CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C
inchikey: ALEROMXYYSQFLX-UHFFFAOYSA-N
alternative label: di-isohexylftalaat (mix van isomeren)
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen

demeton-o
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 298-03-3
formula: C8H19O3PS2
inchi: InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3
iupac name: diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane @en
pubchem: 9273
smiles: CCOP(=S)(OCC)OCCSCC
inchikey: DGLIBALSRMUQDD-UHFFFAOYSA-N
alternative label: demeton-O
broader: CHEMONTID_0003384
in scheme: Conceptschema Chemische Stoffen
notation: demtnO

2-tert-butylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 27178-34-3
cas number: 88-18-6
formula: C10H14O
inchi: InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
iupac name: 2-tert-Butylphenol @en
pubchem: 6923
smiles: CC(C)(C)C1=CC=CC=C1O
inchikey: WJQOZHYUIDYNHM-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 2ttC4yFol

atrazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 93616-39-8
cas number: 12797-72-7
cas number: 11121-31-6
cas number: 69771-31-9
cas number: 39400-72-1
cas number: 1912-24-9
cas number: 12040-45-8
formula: C8H14ClN5
inchi: InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
iupac name: 6-chloro-N'-ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
pubchem: 2256
smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)C
inchikey: MXWJVTOOROXGIU-UHFFFAOYSA-N
broader: CHEMONTID_0004721
in scheme: Conceptschema Chemische Stoffen
notation: atzne

methyl-4-hydroxybenzoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 99-76-3
formula: C8H8O3
inchi: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
iupac name: Methyl 4-hydroxybenzoate @en
pubchem: 7456
smiles: COC(=O)C1=CC=C(C=C1)O
inchikey: LXCFILQKKLGQFO-UHFFFAOYSA-N
broader: CHEMONTID_0004702
in scheme: Conceptschema Chemische Stoffen
notation: C1y4HOxbzat

methylflamprop
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52756-25-9
formula: C17H15ClFNO3
inchi: InChI=1S/C17H15ClFNO3/c1-11(17(22)23-2)20(13-8-9-15(19)14(18)10-13)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3
iupac name: methyl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate @en
pubchem: 40521
inchikey: RBNIGDFIUWJJEV-UHFFFAOYSA-N
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: C1yfpp

thiram
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 56645-31-9
cas number: 39456-80-9
cas number: 66173-72-6
cas number: 137-26-8
cas number: 93196-73-7
cas number: 12680-62-5
cas number: 12680-07-8
formula: C6H12N2S4
inchi: InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
iupac name: dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate @en
pubchem: 5455
smiles: CN(C)C(=S)SSC(=S)N(C)C
inchikey: KUAZQDVKQLNFPE-UHFFFAOYSA-N
broader: CHEMONTID_0004791
in scheme: Conceptschema Chemische Stoffen
notation: thirm

claritromycine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 116836-41-0
cas number: 81103-11-9
formula: C38H69NO13
inchi: InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
iupac name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione @en
pubchem: 84029
inchikey: AGOYDEPGAOXOCK-KCBOHYOISA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: clartmcne

dipentylftalaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 131-18-0
formula: C18H26O4
inchi: InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
iupac name: dipentyl benzene-1,2-dicarboxylate @en
pubchem: 8561
smiles: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
inchikey: IPKKHRVROFYTEK-UHFFFAOYSA-N
alternative label: di-n-pentylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC5yFt

dodemorf
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1593-77-7
cas number: 31717-87-0
formula: C20H39NO3
inchi: InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)
iupac name: acetic acid; 4-cyclododecyl-2,6-dimethylmorpholine @en
pubchem: 61898
smiles: CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O
inchikey: YLJLLELGHSWIDU-UHFFFAOYSA-N
broader: CHEMONTID_0001205
in scheme: Conceptschema Chemische Stoffen
notation: dodmf

dimefuron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 34205-21-5
formula: C15H19ClN4O3
inchi: InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)
iupac name: 3-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-3-chlorophenyl]-1,1-dimethylurea @en
pubchem: 91612
inchikey: DHWRNDJOGMTCPB-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: Dmfrn

acetylcedreen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68039-35-0
cas number: 32388-55-9
cas number: 126239-49-4
formula: C17H26O
inchi: InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3
iupac name: 1-(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl)ethanone @en
pubchem: 107065
smiles: CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C
inchikey: YBUIAJZFOGJGLJ-UHFFFAOYSA-N
broader: CHEMONTID_0003752
in scheme: Conceptschema Chemische Stoffen
notation: ATCD

benzo(k)fluorantheen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II (D2)
cas number: 207-08-9
formula: C20H12
inchi: InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
iupac name: Benzo[k]fluoranthene @en
pubchem: 9158
inchikey: HAXBIWFMXWRORI-UHFFFAOYSA-N
is referenced by: LUC VI 001
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: BkF

4-ethyl-1-octyn-3-ol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 5877-42-9
formula: C10H18O
inchi: InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3
iupac name: 4-Ethyloct-1-yn-3-ol @en
pubchem: 93012
smiles: CCCCC(CC)C(C#C)O
inchikey: CUUQUEAUUPYEKK-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 4C2y1ot3ol

tetracycline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 60-54-8
formula: C22H24N2O8
inchi: InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3/b20-14-/t9-,10-,15-,21+,22-/m0/s1
iupac name: ['(2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione', '(4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione'] @en
pubchem: 5280962
inchikey: JYHCQVWYCGHXGP-BPPSBWQWSA-N
broader: CHEMONTID_0000181
in scheme: Conceptschema Chemische Stoffen
notation: T4ccne

fenthion-sulfoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3761-41-9
formula: C10H15O4PS2
inchi: InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3
iupac name: dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidenephosphorane @en
pubchem: 19577
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C
inchikey: DLAPIMGBBDILHJ-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: fentoSO

2,4-dibroomfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 615-58-7
formula: C6H4Br2O
inchi: InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
iupac name: 2,4-Dibromophenol @en
pubchem: 12005
smiles: C1=CC(=C(C=C1Br)Br)O
inchikey: FAXWFCTVSHEODL-UHFFFAOYSA-N
broader: CHEMONTID_0002769
in scheme: Conceptschema Chemische Stoffen
notation: 24DBrFol

1-(3,4-dichloorfenyl)ureum
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2327-02-8
formula: C7H6Cl2N2O
inchi: InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
iupac name: (3,4-DICHLOROPHENYL)UREA @en
pubchem: 16854
smiles: C1=CC(=C(C=C1NC(=O)N)Cl)Cl
inchikey: CYESCLHCWJKRKM-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 134DClFyurum

2-chloor-1,1,1,2-tetrafluorethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2837-89-0
formula: C2HClF4
inchi: InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H
iupac name: 2-CHLORO-1,1,1,2-TETRAFLUOROETHANE @en
pubchem: 17822
smiles: C(C(F)(F)F)(F)Cl
inchikey: BOUGCJDAQLKBQH-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK124

acequinocyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 57960-19-7
cas number: 191490-28-5
formula: C24H32O4
inchi: InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3
iupac name: (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate @en
pubchem: 93315
inchikey: QDRXWCAVUNHOGA-UHFFFAOYSA-N
broader: CHEMONTID_0000153
in scheme: Conceptschema Chemische Stoffen
notation: acqncl

amiodarone
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1951-25-3
formula: C25H29I2NO3
inchi: InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
iupac name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone @en
pubchem: 2157
inchikey: IYIKLHRQXLHMJQ-UHFFFAOYSA-N
broader: CHEMONTID_0004297
in scheme: Conceptschema Chemische Stoffen
notation: amodne

2-aminoanthrachinon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 117-79-3
formula: C14H9NO2
inchi: InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
iupac name: 2-aminoanthracene-9,10-dione @en
pubchem: 8341
smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N
inchikey: XOGPDSATLSAZEK-UHFFFAOYSA-N
broader: CHEMONTID_0003952
in scheme: Conceptschema Chemische Stoffen
notation: 2Aoatcnn

doxycycline hyclaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 24390-14-5
cas number: 62149-53-5
formula: C46H58Cl2N4O18
inchi: InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;3H,2H2,1H3;2*1H;1H2/b2*21-13+;;;;/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1
iupac name: (2E,4S,4aR,5S,5aR,6R,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; ethanol; hydrate; dihydrochloride @en
pubchem: 5463942
inchikey: QDDHZFKCHWYXJF-PCLMCNLLSA-N
in scheme: Conceptschema Chemische Stoffen
notation: doxccnhct

verdyl acetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 38621-99-7
cas number: 2500-83-6
formula: C12H16O2
inchi: InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3
iupac name: 8-tricyclo[5.2.1.02,6]dec-4-enyl acetate @en
pubchem: 98478
smiles: CC(=O)OC1CC2CC1C3C2CC=C3
inchikey: BJLRAKFWOUAROE-UHFFFAOYSA-N
broader: CHEMONTID_0001549
in scheme: Conceptschema Chemische Stoffen
notation: DDPA

calareen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 17334-55-3
formula: C15H24
inchi: InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3
iupac name: 1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene @en
pubchem: 28481
smiles: CC1CCC=C2C1(C3C(C3(C)C)CC2)C
inchikey: MBIPADCEHSKJDQ-UHFFFAOYSA-N
broader: CHEMONTID_0003565
in scheme: Conceptschema Chemische Stoffen
notation: calrn

2,4-dinitrofenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51-28-5
formula: C6H4N2O5
inchi: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
iupac name: 2,4-Dinitrophenol @en
pubchem: 1493
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O
inchikey: UFBJCMHMOXMLKC-UHFFFAOYSA-N
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
notation: 24DNO2Fol

zwaveltrioxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'SO3'
comment: VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'
comment: VLAR II Art. 5.7.3.1 'zwaveltrioxide'
cas number: 7446-11-9
cas number: 12210-38-7
formula: O3S
inchi: InChI=1S/O3S/c1-4(2)3
iupac name: SULFUR TRIOXIDE @en
pubchem: 24682
smiles: O=S(=O)=O
inchikey: AKEJUJNQAAGONA-UHFFFAOYSA-N
is referenced by: LUC III 008
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen
notation: SO3

isoforon-nitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 78948-79-5
cas number: 144975-27-9
cas number: 7027-11-4
formula: C10H15NO
inchi: InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3
iupac name: 1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile @en
pubchem: 99068
smiles: CC1(CC(=O)CC(C1)(C)C#N)C
inchikey: JJDFVIDVSCYKDS-UHFFFAOYSA-N
broader: CHEMONTID_0003487
in scheme: Conceptschema Chemische Stoffen
notation: ifrntl

2-methoxy-2-methylbutaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 994-05-8
formula: C6H14O
inchi: InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
iupac name: 2-Methoxy-2-methylbutane @en
pubchem: 61247
smiles: CCC(C)(C)OC
inchikey: HVZJRWJGKQPSFL-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 2C1ox2C1yC4a

3-pentanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 584-02-1
formula: C5H12O
inchi: InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
iupac name: Pentan-3-ol @en
pubchem: 11428
smiles: CCC(CC)O
inchikey: AQIXEPGDORPWBJ-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 3C5ol

gadoteerzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 72573-82-1
formula: C16H28GdN4O8+3
inchi: InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3
iupac name: gadolinium(+3) cation; 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid @en
pubchem: 3085828
inchikey: GFSTXYOTEVLASN-UHFFFAOYSA-N
broader: CHEMONTID_0002966
in scheme: Conceptschema Chemische Stoffen
notation: gadtzr

4-butoxybutaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 55724-73-7
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-2-3-6-11-7-4-5-8(9)10/h2-7H2,1H3,(H,9,10)
iupac name: 4-BUTOXYBUTANOIC ACID @en
pubchem: 41562
smiles: CCCCOCCCC(=O)O
inchikey: IZNAUZVEFQFMON-UHFFFAOYSA-N
broader: CHEMONTID_0000333
in scheme: Conceptschema Chemische Stoffen
notation: 4C4oxC4azr

trifenyltin (kation)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 668-34-8
formula: C18H15Sn+
inchi: InChI=1S/3C6H5.Sn/c3*1-2-4-6-5-3-1;/h3*1-5H;/q;;;+1
iupac name: triphenylstannanylium @en
pubchem: 91481
smiles: C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3
inchikey: XBRCDWHXULVEFB-UHFFFAOYSA-N
alternative label: trifenyltin
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: TFySn

amberonne
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 54464-57-2
cas number: 166090-45-5
cas number: 239809-44-0
formula: C16H26O
inchi: InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3
iupac name: 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone @en
pubchem: 108242
smiles: CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C
inchikey: FVUGZKDGWGKCFE-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: OTNE

tetradecaanzuur, tetradecylester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3234-85-3
formula: C28H56O2
inchi: InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
iupac name: Tetradecyl tetradecanoate @en
pubchem: 18605
smiles: CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
inchikey: DZKXJUASMGQEMA-UHFFFAOYSA-N
broader: CHEMONTID_0003322
in scheme: Conceptschema Chemische Stoffen
notation: C14azrC14yEs

dibenzo(a,h)pyreen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 189-64-0
cas number: 58615-36-4
formula: C24H14
inchi: InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H
iupac name: hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene @en
pubchem: 9108
inchikey: RXUSYFJGDZFVND-UHFFFAOYSA-N
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
notation: DBahP

3-ethylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 620-17-7
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
iupac name: 3-Ethylphenol @en
pubchem: 12101
smiles: CCC1=CC(=CC=C1)O
inchikey: HMNKTRSOROOSPP-UHFFFAOYSA-N
broader: CHEMONTID_0004647
in scheme: Conceptschema Chemische Stoffen
notation: 3C2yFol

2-chloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 27323-18-8
cas number: 2051-60-7
formula: C12H9Cl
inchi: InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
iupac name: 1-chloro-2-phenylbenzene @en
pubchem: 249266
smiles: C1=CC=C(C=C1)C2=CC=CC=C2Cl
inchikey: LAXBNTIAOJWAOP-UHFFFAOYSA-N
broader: CHEMONTID_0000500
in scheme: Conceptschema Chemische Stoffen
notation: PCB1

yttrium 88
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13982-36-0
formula: Y
inchi: InChI=1S/Y/i1-1
iupac name: yttrium-88 @en
pubchem: 105173
smiles: [Y]
inchikey: VWQVUPCCIRVNHF-BJUDXGSMSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Y88

tolclofos-methyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 78617-09-1
cas number: 57018-04-9
formula: C9H11Cl2O3PS
inchi: InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3
iupac name: (2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidenephosphorane @en
pubchem: 91664
smiles: CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl
inchikey: OBZIQQJJIKNWNO-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: tolcfsC1y

dysprosium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 123943-90-8
cas number: 7429-91-6
cas number: 110123-47-2
formula: Dy
inchi: InChI=1S/Dy
iupac name: DYSPROSIUM @en
pubchem: 23912
smiles: [Dy]
inchikey: KBQHZAAAGSGFKK-UHFFFAOYSA-N
alternative label: Dysprosium
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Dy

1-deceen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
cas number: 108778-38-7
cas number: 25189-70-2
cas number: 872-05-9
cas number: 105054-87-3
cas number: 68037-01-4
formula: C10H20
inchi: InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3
iupac name: Dec-1-ene @en
pubchem: 13381
smiles: CCCCCCCCC=C
inchikey: AFFLGGQVNFXPEV-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 011
is referenced by: LUC IV 005
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 1C10e

metrafenon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 220899-03-6
formula: C19H21BrO5
inchi: InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3
iupac name: (3-bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone @en
pubchem: 6451057
inchikey: AMSPWOYQQAWRRM-UHFFFAOYSA-N
broader: CHEMONTID_0000120
in scheme: Conceptschema Chemische Stoffen
notation: metfnn

PCB 126
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 57465-28-8
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H
iupac name: 1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene @en
pubchem: 63090
inchikey: REHONNLQRWTIFF-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: pcb 126
alternative label: 3,3',4,4',5-pentachloorbifenyl (pcb126)
alternative label: 3,3',4,4',5-pentachloorbifenyl
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB126

chlooraceton
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 78-95-5
formula: C3H5ClO
inchi: InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
iupac name: 1-chloropropan-2-one @en
pubchem: 6571
smiles: CC(=O)CCl
inchikey: BULLHNJGPPOUOX-UHFFFAOYSA-N
broader: CHEMONTID_0004809
in scheme: Conceptschema Chemische Stoffen
notation: Clactn

N-methylperfluorbutaansulfonylamide azijnzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 159381-10-9
formula: C7H6F9NO4S
inchi: InChI=1S/C7H6F9NO4S/c1-2(3(18)19)17-22(20,21)7(15,16)5(10,11)4(8,9)6(12,13)14/h2,17H,1H3,(H,18,19)
iupac name: 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propanoic acid @en
pubchem: 10642942
inchikey: VDKPSKAXYKUKMK-UHFFFAOYSA-N
broader: CHEMONTID_0004314
in scheme: Conceptschema Chemische Stoffen
notation: MePFBSAA

yttrium 91
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14234-24-3
formula: Y
inchi: InChI=1S/Y/i1+2
iupac name: yttrium-91 @en
pubchem: 104964
smiles: [Y]
inchikey: VWQVUPCCIRVNHF-NJFSPNSNSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Y91

2,3,4-trimethylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1467-35-2
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,10H2,1-3H3
iupac name: 2,3,4-Trimethylaniline @en
pubchem: 73844
smiles: CC1=C(C(=C(C=C1)N)C)C
inchikey: RLIPQCDHACHPJW-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 234TC1yAn

dazomet natriumzout
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 53404-60-7
formula: C5H9N2NaS2
inchi: InChI=1S/C5H9N2S2.Na/c1-6-3-7(2)5(8)9-4-6;/h4H,3H2,1-2H3;/q-1;+1
iupac name: Sodium 3,5-dimethyl-1,3,5-thiadiazinane-2-thione @en
pubchem: 6399257
smiles: CN1CN(C(=S)S[CH-]1)C.[Na+]
inchikey: NDYULEPTCXJCJM-UHFFFAOYSA-N
broader: CHEMONTID_0003094
in scheme: Conceptschema Chemische Stoffen
notation: dazmNazt

gentisinezuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 490-79-9
formula: C7H6O4
inchi: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
iupac name: 2,5-Dihydroxybenzoic acid @en
pubchem: 3469
smiles: C1=CC(=C(C=C1O)C(=O)O)O
inchikey: WXTMDXOMEHJXQO-UHFFFAOYSA-N
broader: CHEMONTID_0001248
in scheme: Conceptschema Chemische Stoffen
notation: gentsnzr

dicofol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 115-32-2
formula: C14H9Cl5O
inchi: InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
iupac name: 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol @en
pubchem: 8268
inchikey: UOAMTSKGCBMZTC-UHFFFAOYSA-N
alternative label: p,p’-dicofol
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: Dcfl

2,3-butadion
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 625-34-3
cas number: 431-03-8
cas number: 151677-70-2
formula: C4H6O2
inchi: InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
iupac name: Butane-2,3-dione @en
pubchem: 650
smiles: CC(=O)C(=O)C
inchikey: QSJXEFYPDANLFS-UHFFFAOYSA-N
broader: CHEMONTID_0001223
in scheme: Conceptschema Chemische Stoffen
notation: 23C4aDon

2,4,6-trimethylfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 527-60-6
formula: C9H12O
inchi: InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
iupac name: 2,4,6-TRIMETHYLPHENOL @en
pubchem: 10698
smiles: CC1=CC(=C(C(=C1)C)O)C
inchikey: BPRYUXCVCCNUFE-UHFFFAOYSA-N
broader: CHEMONTID_0001275
in scheme: Conceptschema Chemische Stoffen
notation: 246TC1yFol

flamprop-m-isopropyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 63782-90-1
formula: C19H19ClFNO3
inchi: InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3/t13-/m1/s1
iupac name: propan-2-yl (2R)-2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate @en
pubchem: 94583
inchikey: IKVXBIIHQGXQRQ-CYBMUJFWSA-N
alternative label: flamprop-M-isopropyl
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: flampMiC3y

dihexylftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68610-82-2
cas number: 84-75-3
formula: C20H30O4
inchi: InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
iupac name: dihexyl benzene-1,2-dicarboxylate @en
pubchem: 6786
smiles: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
inchikey: KCXZNSGUUQJJTR-UHFFFAOYSA-N
alternative label: di-n-hexylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC6yFt

tefluthrin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 79538-32-2
cas number: 76437-51-9
cas number: 93907-48-3
formula: C17H14ClF7O2
inchi: InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-
iupac name: ['(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate', '(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate'] @en
pubchem: 5281874
inchikey: ZFHGXWPMULPQSE-WTKPLQERSA-N
broader: CHEMONTID_0001097
in scheme: Conceptschema Chemische Stoffen
notation: teftn

2,4-dichloorfenoxybutaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 94-82-6
formula: C10H10Cl2O3
inchi: InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
iupac name: 4-(2,4-Dichlorophenoxy)butanoic acid @en
pubchem: 1489
smiles: C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O
inchikey: YIVXMZJTEQBPQO-UHFFFAOYSA-N
alternative label: 2,4-dichloorfenoxyboterzuur
alternative label: (2,4-dichloorfenoxy)boterzuur (2,4-db)
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 24DB

dazomet
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 533-74-4
cas number: 55146-10-6
formula: C5H10N2S2
inchi: InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3
iupac name: 3,5-Dimethyl-1,3,5-thiadiazinane-2-thione @en
pubchem: 10788
smiles: CN1CN(C(=S)SC1)C
inchikey: QAYICIQNSGETAS-UHFFFAOYSA-N
broader: CHEMONTID_0003094
in scheme: Conceptschema Chemische Stoffen
notation: dazmt

1,2,3,4,7,8,9-heptachloordibenzofuraan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
cas number: 55673-89-7
formula: C12HCl7O
inchi: InChI=1S/C12HCl7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H
iupac name: 1,2,3,4,7,8,9-HEPTACHLORODIBENZOFURAN @en
pubchem: 41510
inchikey: VEZCTZWLJYWARH-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,4,7,8,9-heptachloordibenzofuran
alternative label: 1,2,3,4,7,8,9-heptachloordibenzofuraan (hpcdf)
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF134

2-ethylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 25429-37-2
cas number: 90-00-6
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
iupac name: 2-Ethylphenol @en
pubchem: 6997
smiles: CCC1=CC=CC=C1O
inchikey: IXQGCWUGDFDQMF-UHFFFAOYSA-N
broader: CHEMONTID_0004647
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yFol

1,2-epoxyethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 67253-49-0
cas number: 96-09-3
cas number: 62497-63-6
formula: C8H8O
inchi: InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
iupac name: 2-Phenyloxirane @en
pubchem: 7276
smiles: C1C(O1)C2=CC=CC=C2
inchikey: AWMVMTVKBNGEAK-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 12epOxC2yBen

thiofanox-sulfoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 39184-27-5
formula: C9H18N2O3S
inchi: InChI=1S/C9H18N2O3S/c1-9(2,3)7(6-15(5)13)11-14-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+
iupac name: [(Z)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate @en
pubchem: 5491759
smiles: CC(C)(C)C(=NOC(=O)NC)CS(=O)C
inchikey: NLMRMVVMKCKWFL-YRNVUSSQSA-N
broader: CHEMONTID_0004752
in scheme: Conceptschema Chemische Stoffen
notation: tofnSO

cefotaxime
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 63527-52-6
formula: C16H16N5NaO7S2
inchi: InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m0./s1
iupac name: sodium (6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
pubchem: 9570740
inchikey: AZZMGZXNTDTSME-XJTDMATHSA-M
broader: CHEMONTID_0001189
in scheme: Conceptschema Chemische Stoffen
notation: ceftxme

foramsulfuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 173159-57-4
formula: C17H20N6O7S
inchi: InChI=1S/C17H20N6O7S/c1-23(2)15(25)10-6-5-7-11(18-9-24)14(10)31(27,28)22-17(26)21-16-19-12(29-3)8-13(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)
iupac name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-formamido-N,N-dimethylbenzamide @en
pubchem: 213014
inchikey: HICJAEZEEBOKGV-UHFFFAOYSA-N
broader: CHEMONTID_0004705
in scheme: Conceptschema Chemische Stoffen
notation: forasfrn

oxytetracycline hydrochloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2058-46-0
formula: C22H25ClN2O9
inchi: InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;1H/b20-11-;/t12-,13-,14+,17+,21-,22+;/m1./s1
iupac name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride @en
pubchem: 5284437
inchikey: IZRXCFCWDMSBQY-NXURVHCDSA-N
in scheme: Conceptschema Chemische Stoffen
notation: OxT4ccnHCl

nonylfenoltetraethoxylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 27176-97-2
formula: C23H40O5
inchi: InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-11-22-12-9-10-13-23(22)28-21-20-27-19-18-26-17-16-25-15-14-24/h9-10,12-13,24H,2-8,11,14-21H2,1H3
pubchem: 176452
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCO
inchikey: XXSIKMDLPWYFIJ-UHFFFAOYSA-N
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen
notation: NPEO4

2-methylquinoline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 91-63-4
cas number: 27601-00-9
formula: C10H9N
inchi: InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
iupac name: 2-Methylquinoline @en
pubchem: 7060
smiles: CC1=NC2=CC=CC=C2C=C1
inchikey: SMUQFGGVLNAIOZ-UHFFFAOYSA-N
broader: CHEMONTID_0001253
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yqnlne

d-limoneen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 5989-27-5
formula: C10H16
inchi: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
iupac name: (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene @en
pubchem: 440917
smiles: CC1=CCC(CC1)C(=C)C
inchikey: XMGQYMWWDOXHJM-JTQLQIEISA-N
broader: CHEMONTID_0001401
in scheme: Conceptschema Chemische Stoffen
notation: dlimnn

2,2',3,3',4,6,6'-heptachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52663-65-7
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-4-1-2-5(14)10(17)8(4)9-6(15)3-7(16)11(18)12(9)19/h1-3H
iupac name: 1,2,3,5-tetrachloro-4-(2,3,6-trichlorophenyl)benzene @en
pubchem: 63097
inchikey: HGMYRFJAJNYBRX-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB176

c.i. acid green 3
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 260057-95-2
cas number: 4680-78-8
formula: C37H35N2NaO6S2
inchi: InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1
iupac name: sodium 3-[[ethyl-[4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-1-cyclohexa-2,5-dienylidene]-phenylmethyl]phenyl]amino]methyl]benzenesulfonate @en
pubchem: 20803
smiles: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5.[Na+]
inchikey: XKTMIJODWOEBKO-UHFFFAOYSA-M
alternative label: C.I. Acid Green 3
broader: CHEMONTID_0004204
in scheme: Conceptschema Chemische Stoffen
notation: ciagn3

tris(tribroomneopentyl)fosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 19186-97-1
cas number: 134376-16-2
cas number: 36483-58-6
formula: C15H24Br9O4P
inchi: InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2
iupac name: tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate @en
pubchem: 3015044
inchikey: BHYQWBKCXBXPKM-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: trisTBrnoC5y

ceftiofur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 80370-57-6
cas number: 104010-37-9
formula: C19H16N5NaO7S3
inchi: InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1
iupac name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
pubchem: 9571073
inchikey: RFLHUYUQCKHUKS-JUODUXDSSA-M
broader: CHEMONTID_0001189
in scheme: Conceptschema Chemische Stoffen
notation: ceftofr

plutonium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-07-5
cas number: 22541-44-2
cas number: 22541-69-1
formula: Pu
inchi: InChI=1S/Pu
iupac name: PLUTONIUM @en
pubchem: 23940
smiles: [Pu]
inchikey: OYEHPCDNVJXUIW-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Pu

n-propanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
cas number: 62309-51-7
cas number: 71-23-8
formula: C3H8O
inchi: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
iupac name: Propan-1-ol @en
pubchem: 1031
smiles: CCCO
inchikey: BDERNNFJNOPAEC-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 012
is referenced by: LUC IV 009
alternative label: propanol
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
notation: C3ol

vanadium 48
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14331-97-6
formula: V
inchi: InChI=1S/V/i1-3
iupac name: vanadium-48 @en
pubchem: 161054
smiles: [V]
inchikey: LEONUFNNVUYDNQ-OIOBTWANSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: V48

butylhydroxytolueen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 42615-30-5
cas number: 102962-45-8
cas number: 950-56-1
cas number: 50641-99-1
cas number: 83047-16-9
cas number: 128-37-0
cas number: 58500-82-6
cas number: 52683-46-2
cas number: 97123-41-6
cas number: 50356-19-9
cas number: 53571-70-3
formula: C15H24O
inchi: InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
iupac name: 2,6-ditert-butyl-4-methylphenol @en
pubchem: 31404
smiles: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
inchikey: NLZUEZXRPGMBCV-UHFFFAOYSA-N
alternative label: butylhydroxytolueen (BHT)
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: BHT

tolfenpyrad
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 129558-76-5
formula: C21H22ClN3O2
inchi: InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
iupac name: 4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide @en
pubchem: 10110536
inchikey: WPALTCMYPARVNV-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: tolfprd

telmisartan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 144701-48-4
formula: C33H30N4O2
inchi: InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
iupac name: 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid @en
pubchem: 65999
inchikey: RMMXLENWKUUMAY-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: telmstn

triflumuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 64628-44-0
formula: C15H10ClF3N2O3
pubchem: 47445
inchikey: XAIPTRIXGHTTNT-UHFFFAOYSA-N
broader: CHEMONTID_0004513
in scheme: Conceptschema Chemische Stoffen
notation: Tfmrn

2,3-dihydroindol-2-on
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 59-48-3
cas number: 16990-73-1
formula: C8H7NO
inchi: InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-10H
iupac name: 1H-Indol-2-ol @en
pubchem: 65531
smiles: C1=CC=C2C(=C1)C=C(N2)O
inchikey: JHFAEUICJHBVHB-UHFFFAOYSA-N
broader: CHEMONTID_0004162
in scheme: Conceptschema Chemische Stoffen
notation: 23DHindl2on

11‐chloroeicosafluoro‐3‐oxaundecane‐1‐sulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 763051-92-9
formula: C10HClF20O4S
inchi: InChI=1S/C10HClF20O4S/c11-7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)35-9(28,29)10(30,31)36(32,33)34/h(H,32,33,34)
iupac name: 2-(8-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctoxy)-1,1,2,2-tetrafluoroethanesulfonic acid @en
pubchem: 15099039
inchikey: SZVGIJOITCPDPM-UHFFFAOYSA-N
broader: CHEMONTID_0001179
in scheme: Conceptschema Chemische Stoffen
notation: 11Cl‐PF3OUnDS

miconazol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 75319-47-0
cas number: 22916-47-8
formula: C18H14Cl4N2O
inchi: InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
iupac name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole @en
pubchem: 4189
inchikey: BYBLEWFAAKGYCD-UHFFFAOYSA-N
broader: CHEMONTID_0002542
in scheme: Conceptschema Chemische Stoffen
notation: micanzl

haloxyfop-ethoxyethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 126518-70-5
cas number: 87237-48-7
formula: C19H19ClF3NO5
iupac name: 2-ethoxyethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
pubchem: 91743
inchikey: MIJLZGZLQLAQCM-UHFFFAOYSA-N
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: halOxfC2oxC2

spiramycine (I+II+III)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8025-81-8
formula: C43H74N2O14
inchi: InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1
iupac name: ['2-[(4R,5S,6S,7R,9R,10R,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde', '2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde'] @en
pubchem: 6419898
inchikey: ACTOXUHEUCPTEW-JMRHEKERSA-N
alternative label: spiramycine (i+ii+iii)
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: spirmcne

difenylmethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 101-81-5
formula: C13H12
inchi: InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
iupac name: phenylmethylbenzene @en
pubchem: 7580
smiles: C1=CC=C(C=C1)CC2=CC=CC=C2
inchikey: CZZYITDELCSZES-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: DFyC1a

1-(4-isopropylfenyl)ureum
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 56046-17-4
formula: C10H14N2O
inchi: InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)
iupac name: (4-propan-2-ylphenyl)urea @en
pubchem: 185831
smiles: CC(C)C1=CC=C(C=C1)NC(=O)N
inchikey: ABBKOIZWGCVCKE-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: 14iC3yFyurum

secbumeton
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 26259-45-0
cas number: 38473-42-6
cas number: 11096-33-6
formula: C10H19N5O
inchi: InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
iupac name: N-butan-2-yl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine @en
pubchem: 33443
smiles: CCC(C)NC1=NC(=NC(=N1)NCC)OC
inchikey: ZJMZZNVGNSWOOM-UHFFFAOYSA-N
broader: CHEMONTID_0004731
in scheme: Conceptschema Chemische Stoffen
notation: secbmtn

broomtrifluormethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 75-63-8
cas number: 62395-25-9
formula: CBrF3
inchi: InChI=1S/CBrF3/c2-1(3,4)5
iupac name: bromo-trifluoromethane @en
pubchem: 6384
smiles: C(F)(F)(F)Br
inchikey: RJCQBQGAPKAMLL-UHFFFAOYSA-N
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: halon1301

tridemorf
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 24602-86-6
cas number: 81412-43-3
formula: C19H39NO
inchi: InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3
iupac name: 2,6-Dimethyl-4-tridecylmorpholine @en
pubchem: 32518
smiles: CCCCCCCCCCCCCN1CC(OC(C1)C)C
inchikey: YTOPFCCWCSOHFV-UHFFFAOYSA-N
broader: CHEMONTID_0000392
in scheme: Conceptschema Chemische Stoffen
notation: Tdmf

2-acrylamido-2-methylpropaansulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 115137-50-3
cas number: 15214-89-8
cas number: 86848-82-0
cas number: 113996-54-6
cas number: 171063-24-4
cas number: 5165-97-9
cas number: 112666-19-0
cas number: 152634-06-5
cas number: 95243-13-3
cas number: 76701-57-0
cas number: 192388-82-2
cas number: 129701-88-8
formula: C7H12NNaO4S
inchi: InChI=1S/C7H13NO4S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1
iupac name: sodium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate @en
pubchem: 3034154
smiles: CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[Na+]
inchikey: FWFUWXVFYKCSQA-UHFFFAOYSA-M
broader: CHEMONTID_0001179
in scheme: Conceptschema Chemische Stoffen
notation: 2acamd2C1yC3

(1-propylnonyl)-benzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2719-64-4
formula: C18H30
inchi: InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3
iupac name: dodecan-4-ylbenzene @en
pubchem: 17631
smiles: CCCCCCCCC(CCC)C1=CC=CC=C1
inchikey: RHDHXBLZBVAPTL-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 1C3yC9yBen

dichloorazijnzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 42428-47-7
cas number: 79-43-6
formula: C2H2Cl2O2
inchi: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
iupac name: 2,2-Dichloroacetic acid @en
pubchem: 6597
smiles: C(C(=O)O)(Cl)Cl
inchikey: JXTHNDFMNIQAHM-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: DClHAc

perfluor-3,5,7-trioxaoctaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 39492-89-2
formula: C5HF9O5
inchi: InChI=1S/C5HF9O5/c6-2(7,1(15)16)17-4(11,12)19-5(13,14)18-3(8,9)10/h(H,15,16)
iupac name: 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-2,2-difluoroacetic acid @en
pubchem: 87185480
inchikey: SJKDXZGLKADOQD-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: PFO3OA

4-chloor-3-nitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 635-22-3
formula: C6H5ClN2O2
inchi: InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
iupac name: 4-Chloro-3-nitroaniline @en
pubchem: 12477
smiles: C1=CC(=C(C=C1N)[N+](=O)[O-])Cl
inchikey: FOHHWGVAOVDVLP-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl3NO2An

desmethyldiazepam
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1088-11-5
formula: C15H11ClN2O
inchi: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
iupac name: 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one @en
pubchem: 2997
inchikey: AKPLHCDWDRPJGD-UHFFFAOYSA-N
broader: CHEMONTID_0004097
in scheme: Conceptschema Chemische Stoffen
notation: desC1yDazpm

trifluraline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 75635-23-3
cas number: 71281-30-6
cas number: 1582-09-8
cas number: 61373-95-3
cas number: 39300-53-3
cas number: 52627-52-8
formula: C13H16F3N3O4
inchi: InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
iupac name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline @en
pubchem: 5569
smiles: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
inchikey: ZSDSQXJSNMTJDA-UHFFFAOYSA-N
alternative label: trifluralin
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: Tfrlne

fermium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7440-72-4
formula: Fm
inchi: InChI=1S/Fm
iupac name: FERMIUM @en
pubchem: 23998
smiles: [Fm]
inchikey: MIORUQGGZCBUGO-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Fm

dimethyl arseenzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 58114-73-1
cas number: 11126-73-1
cas number: 75-60-5
cas number: 917-76-0
cas number: 8073-10-7
formula: C2H7AsO2
inchi: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
iupac name: Dimethylarsinic acid @en
pubchem: 2513
smiles: C[As](=O)(C)O
inchikey: OGGXGZAMXPVRFZ-UHFFFAOYSA-N
alternative label: dimethylarseenzuur
broader: CHEMONTID_0004239
in scheme: Conceptschema Chemische Stoffen
notation: DC1yAszr

indium 111
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15750-15-9
formula: In
inchi: InChI=1S/In/i1-4
iupac name: indium-111 @en
pubchem: 5462099
smiles: [In]
inchikey: APFVFJFRJDLVQX-AHCXROLUSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: In111

cis-4,7,10,13,16,19-docosahexaeenzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 6217-54-5
cas number: 25377-50-8
formula: C22H32O2
iupac name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid @en
pubchem: 445580
smiles: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
inchikey: MBMBGCFOFBJSGT-KUBAVDMBSA-N
broader: CHEMONTID_0002950
in scheme: Conceptschema Chemische Stoffen
notation: cC22aHxzr

dirhenium trioxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 12060-05-8
formula: O7Re2-14
inchi: InChI=1S/7O.2Re/q7*-2;;
iupac name: oxygen(2-);rhenium @en
pubchem: 159424
smiles: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re]
inchikey: ASCDQPSSGQOUOI-UHFFFAOYSA-N
broader: CHEMONTID_0001270
in scheme: Conceptschema Chemische Stoffen
notation: DReTO

propyfenazon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 88205-06-5
cas number: 128065-64-5
cas number: 12542-35-7
cas number: 479-92-5
formula: C14H18N2O
inchi: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
iupac name: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one @en
pubchem: 3778
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C
inchikey: PXWLVJLKJGVOKE-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: propfnzn

C.I. Solvent Yellow 34
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 492-80-8
cas number: 105913-60-8
formula: C17H21N3
inchi: InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3
iupac name: 4-(4-dimethylaminobenzenecarboximidoyl)-N,N-dimethylaniline @en
pubchem: 10298
inchikey: JPIYZTWMUGTEHX-UHFFFAOYSA-N
alternative label: c.i. solvent yellow 34
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: cisyw34

ametryn
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 834-12-8
formula: C9H17N5S
inchi: InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
iupac name: N'-ethyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
pubchem: 13263
smiles: CCNC1=NC(=NC(=N1)SC)NC(C)C
inchikey: RQVYBGPQFYCBGX-UHFFFAOYSA-N
broader: CHEMONTID_0004735
in scheme: Conceptschema Chemische Stoffen
notation: amtn

jodipamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 606-17-7
formula: C20H14I6N2O6
inchi: InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
iupac name: 3-[[6-[(3-carboxy-2,4,6-triiodophenyl)amino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid @en
pubchem: 3739
inchikey: FFINMCNLQNTKLU-UHFFFAOYSA-N
broader: CHEMONTID_0004361
in scheme: Conceptschema Chemische Stoffen
notation: jodpAd

dimethyltetrasulfide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 5756-24-1
cas number: 85931-55-1
formula: C2H6S4
inchi: InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3
iupac name: methyldisulfanyldisulfanylmethane @en
pubchem: 79828
smiles: CSSSSC
inchikey: NPNIZCVKXVRCHF-UHFFFAOYSA-N
broader: CHEMONTID_0003260
in scheme: Conceptschema Chemische Stoffen
notation: DC1yT4S

radium 223
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15623-45-7
formula: Ra
inchi: InChI=1S/Ra/i1-3
iupac name: radium-223 @en
pubchem: 6335825
smiles: [Ra]
inchikey: HCWPIIXVSYCSAN-OIOBTWANSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Ra223

difenzoquat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 49866-87-7
formula: C17H17N2+
inchi: InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1
iupac name: 1,2-dimethyl-3,5-di(phenyl)pyrazol-1-ium @en
pubchem: 39425
smiles: CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3
inchikey: LBGPXIPGGRQBJW-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: Dfzqt

bis(2-chloorethoxy)methaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 111-91-1
formula: C5H10Cl2O2
inchi: InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
iupac name: 1-chloro-2-(2-chloroethoxymethoxy)ethane @en
pubchem: 8147
smiles: C(CCl)OCOCCCl
inchikey: NLXGURFLBLRZRO-UHFFFAOYSA-N
broader: CHEMONTID_0001656
in scheme: Conceptschema Chemische Stoffen
notation: bis2ClC2oxC1

ureum
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 173144-80-4
cas number: 57-13-6
cas number: 174693-33-5
cas number: 30535-50-3
cas number: 37955-36-5
cas number: 173994-65-5
cas number: 175276-38-7
cas number: 4744-36-9
formula: CH4N2O
inchi: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
iupac name: UREA @en
pubchem: 1176
smiles: C(=O)(N)N
inchikey: XSQUKJJJFZCRTK-UHFFFAOYSA-N
is referenced by: WAC IV A 003
broader: CHEMONTID_0000517
in scheme: Conceptschema Chemische Stoffen
notation: urum

iprobenfos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 72779-52-3
cas number: 62601-78-9
cas number: 26087-47-8
formula: C13H21O3PS
inchi: InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
iupac name: di(propan-2-yloxy)phosphorylsulfanylmethylbenzene @en
pubchem: 33294
smiles: CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
inchikey: FCOAHACKGGIURQ-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: ipnfs

hexabroombenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 87-82-1
formula: C6Br6
inchi: InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9
iupac name: 1,2,3,4,5,6-hexabromobenzene @en
pubchem: 6905
smiles: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
inchikey: CAYGQBVSOZLICD-UHFFFAOYSA-N
broader: CHEMONTID_0001098
in scheme: Conceptschema Chemische Stoffen
notation: HxBrBen

jodium 126
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14158-32-8
formula: HI
inchi: InChI=1S/HI/h1H/i1-1
iupac name: Iodane-126 @en
pubchem: 161029
smiles: I
inchikey: XMBWDFGMSWQBCA-BJUDXGSMSA-N
broader: CHEMONTID_0000548
in scheme: Conceptschema Chemische Stoffen
notation: I126

natriummerthiolaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 11004-81-2
cas number: 8030-32-8
cas number: 113170-85-7
cas number: 2141-27-7
cas number: 23065-35-2
cas number: 54-64-8
cas number: 25948-50-9
cas number: 77536-61-9
cas number: 130995-49-2
formula: C9H9HgNaO2S
inchi: InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2
iupac name: sodium (2-carboxylatophenyl)sulfanyl-ethylmercury @en
pubchem: 5908
smiles: CC[Hg+].C1=CC=C(C(=C1)C(=O)[O-])[S-].[Na+]
inchikey: RTKIYNMVFMVABJ-UHFFFAOYSA-L
broader: CHEMONTID_0003106
in scheme: Conceptschema Chemische Stoffen
notation: Namtolt

1-(broommethyl)-2-methylbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 28777-60-8
cas number: 89-92-9
formula: C8H9Br
inchi: InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
iupac name: 1-(Bromomethyl)-2-methylbenzene @en
pubchem: 6992
smiles: CC1=CC=CC=C1CBr
inchikey: WGVYCXYGPNNUQA-UHFFFAOYSA-N
broader: CHEMONTID_0003979
in scheme: Conceptschema Chemische Stoffen
notation: 1BrC1y2C1yBe

4,4'-diaminodifenylmethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 101-77-9
cas number: 28602-61-1
cas number: 83712-44-1
formula: C13H14N2
inchi: InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2
iupac name: 4-[(4-aminophenyl)methyl]aniline @en
pubchem: 7577
smiles: C1=CC(=CC=C1CC2=CC=C(C=C2)N)N
inchikey: YBRVSVVVWCFQMG-UHFFFAOYSA-N
alternative label: 4,4'-methyleendianiline
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 44C1yeDAn

jodium 129
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15046-84-1
formula: HI
inchi: InChI=1S/HI/h1H/i1+2
iupac name: Iodane-129 @en
pubchem: 6433622
smiles: I
inchikey: XMBWDFGMSWQBCA-NJFSPNSNSA-N
broader: CHEMONTID_0000548
in scheme: Conceptschema Chemische Stoffen
notation: I129

2,2',3,4,4',5-hexachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 35694-06-5
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-5-1-2-6(8(14)3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H
iupac name: 1,2,3,4-tetrachloro-5-(2,4-dichlorophenyl)benzene @en
pubchem: 37250
inchikey: CKLLRBPBZLTGDJ-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB137

mesotrion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 435270-61-4
cas number: 104206-82-8
cas number: 207996-81-4
formula: C14H13NO7S
inchi: InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
iupac name: 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione @en
pubchem: 175967
inchikey: KPUREKXXPHOJQT-UHFFFAOYSA-N
broader: CHEMONTID_0004673
in scheme: Conceptschema Chemische Stoffen
notation: meston

dicamba
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 62610-39-3
cas number: 1918-00-9
formula: C8H6Cl2O3
inchi: InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)
iupac name: 3,6-Dichloro-2-methoxybenzoic acid @en
pubchem: 3030
smiles: COC1=C(C=CC(=C1C(=O)O)Cl)Cl
inchikey: IWEDIXLBFLAXBO-UHFFFAOYSA-N
broader: CHEMONTID_0002345
in scheme: Conceptschema Chemische Stoffen
notation: Dcba

3,4-dichloortolueen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-75-0
formula: C7H6Cl2
inchi: InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
iupac name: 1,2-dichloro-4-methylbenzene @en
pubchem: 7256
smiles: CC1=CC(=C(C=C1)Cl)Cl
inchikey: WYUIWKFIFOJVKW-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 34DClTol

hexadecyltrimethylammonium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 79631-76-8
cas number: 69217-35-2
cas number: 108779-80-2
cas number: 12294-25-6
cas number: 6899-10-1
cas number: 57-09-0
cas number: 104302-76-3
formula: C19H42BrN
inchi: InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
iupac name: hexadecyl-trimethylazanium bromide @en
pubchem: 5974
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
inchikey: LZZYPRNAOMGNLH-UHFFFAOYSA-M
alternative label: cetyltrimethylammoniumbromide
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: CTAB

pyrazofos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13457-18-6
formula: C14H20N3O5PS
inchi: InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3
iupac name: ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate @en
pubchem: 26033
inchikey: JOOMJVFZQRQWKR-UHFFFAOYSA-N
broader: CHEMONTID_0004623
in scheme: Conceptschema Chemische Stoffen
notation: pyrazfs

maleinehydrazide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 92335-53-0
cas number: 5425-79-6
cas number: 123-33-1
cas number: 10071-13-3
cas number: 48100-18-1
cas number: 220787-04-2
cas number: 66988-32-7
formula: C4H4N2O2
inchi: InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)
iupac name: 1,2-Dihydropyridazine-3,6-dione @en
pubchem: 21954
smiles: C1=CC(=O)NNC1=O
inchikey: BGRDGMRNKXEXQD-UHFFFAOYSA-N
broader: CHEMONTID_0000208
in scheme: Conceptschema Chemische Stoffen
notation: malinhdzde

1,1-dichloor-1,2,2,3,3-pentafluorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13474-88-9
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-3(5,10)2(8,9)1(6)7/h1H
iupac name: 1,1-DICHLORO-1,2,2,3,3-PENTAFLUOROPROPANE @en
pubchem: 61627
smiles: C(C(C(F)(Cl)Cl)(F)F)(F)F
inchikey: JXMGZLBGSDLPKN-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225cc

1-chloor-1,2,2-trifluoretheen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 58339-48-3
cas number: 8045-75-8
cas number: 56749-16-7
cas number: 27837-89-4
cas number: 105864-12-8
cas number: 39360-67-3
cas number: 58339-49-4
cas number: 50935-29-0
cas number: 52932-38-4
cas number: 39403-94-6
cas number: 57176-52-0
cas number: 79-38-9
cas number: 9002-83-9
cas number: 52683-04-2
cas number: 39475-51-9
cas number: 52350-38-6
cas number: 69494-42-4
cas number: 58339-65-4
cas number: 9036-80-0
cas number: 58339-57-4
cas number: 59889-02-0
cas number: 84842-77-3
formula: C2ClF3
inchi: InChI=1S/C2ClF3/c3-1(4)2(5)6
iupac name: 1-chloro-1,2,2-trifluoroethene @en
pubchem: 6594
smiles: C(=C(F)Cl)(F)F
inchikey: UUAGAQFQZIEFAH-UHFFFAOYSA-N
broader: CHEMONTID_0002861
in scheme: Conceptschema Chemische Stoffen
notation: CFK1113

5-chloor-2-nitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 5367-28-2
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
iupac name: 4-chloro-2-methyl-1-nitrobenzene @en
pubchem: 79329
smiles: CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
inchikey: NSMZCUAVEOTJDS-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 5Cl2NO2Tol

propionaldehyde
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 123-38-6
formula: C3H6O
inchi: InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
iupac name: propanal @en
pubchem: 527
smiles: CCC=O
inchikey: NBBJYMSMWIIQGU-UHFFFAOYSA-N
alternative label: propanal
broader: CHEMONTID_0002434
in scheme: Conceptschema Chemische Stoffen
notation: C3al

tritium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 10028-17-8
formula: H2
inchi: InChI=1S/H2/h1H/i1+2T
iupac name: Tritium @en
pubchem: 24824
smiles: [HH]
inchikey: UFHFLCQGNIYNRP-JMRXTUGHSA-N
broader: CHEMONTID_0000552
in scheme: Conceptschema Chemische Stoffen
notation: H3

methylprednisolon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 121673-01-6
cas number: 83-43-2
cas number: 570-35-4
formula: C22H30O5
inchi: InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
iupac name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one @en
pubchem: 6741
inchikey: VHRSUDSXCMQTMA-PJHHCJLFSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: C1ypnsln

tetracosaanzuur, methylester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2442-49-1
formula: C25H50O2
iupac name: Methyl tetracosanoate @en
pubchem: 75546
smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
inchikey: XUDJZDNUVZHSKZ-UHFFFAOYSA-N
broader: CHEMONTID_0003417
in scheme: Conceptschema Chemische Stoffen
notation: C24azrC1yEsr

cadusafos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 95465-99-9
cas number: 103735-82-6
formula: C10H23O2PS2
inchi: InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3
iupac name: 2-(butan-2-ylsulfanyl-ethoxyphosphoryl)sulfanylbutane @en
pubchem: 91752
smiles: CCC(C)SP(=O)(OCC)SC(C)CC
inchikey: KXRPCFINVWWFHQ-UHFFFAOYSA-N
broader: CHEMONTID_0001438
in scheme: Conceptschema Chemische Stoffen
notation: cadsfs

budesonide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51333-22-3
cas number: 51372-29-3
formula: C25H34O6
inchi: InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
iupac name: (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one @en
pubchem: 40000
inchikey: VOVIALXJUBGFJZ-VXKMTNQYSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: budsnde

cumeen hydroperoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 80-15-9
cas number: 79568-78-8
formula: C9H12O2
inchi: InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
iupac name: 2-hydroperoxypropan-2-ylbenzene @en
pubchem: 6629
smiles: CC(C)(C1=CC=CC=C1)OO
inchikey: YQHLDYVWEZKEOX-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: cumHpO

2-chloor-5-methylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68137-05-3
cas number: 615-74-7
cas number: 54548-50-4
formula: C7H7ClO
inchi: InChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
iupac name: 2-CHLORO-5-METHYLPHENOL @en
pubchem: 12008
smiles: CC1=CC(=C(C=C1)Cl)O
inchikey: SMFHPCZZAAMJJO-UHFFFAOYSA-N
broader: CHEMONTID_0001273
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl5C1yFol

triclabendazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68786-66-3
formula: C14H9Cl3N2OS
inchi: InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
iupac name: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole @en
pubchem: 50248
inchikey: NQPDXQQQCQDHHW-UHFFFAOYSA-N
broader: CHEMONTID_0002463
in scheme: Conceptschema Chemische Stoffen
notation: Tcbdzl

framycetine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 11025-81-3
cas number: 119-04-0
cas number: 1393-86-8
formula: C23H46N6O13
inchi: InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
iupac name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol @en
pubchem: 8378
inchikey: PGBHMTALBVVCIT-VCIWKGPPSA-N
broader: CHEMONTID_0003573
in scheme: Conceptschema Chemische Stoffen
notation: framctne

isoprothiolan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 50512-35-1
formula: C12H18O4S2
inchi: InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3
iupac name: dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate @en
pubchem: 39681
smiles: CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C
inchikey: UFHLMYOGRXOCSL-UHFFFAOYSA-N
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: iptoln

2,2',3,4,4'-pentachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 65510-45-4
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-6-1-2-7(10(15)5-6)8-3-4-9(14)12(17)11(8)16/h1-5H
iupac name: 1,2,3-trichloro-4-(2,4-dichlorophenyl)benzene @en
pubchem: 47651
inchikey: LACXVZHAJMVESG-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB85

1,2,3,4-tetrahydro-1,1,6-trimethylnafthaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 475-03-6
formula: C13H18
inchi: InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3
iupac name: 4,4,7-trimethyl-2,3-dihydro-1H-naphthalene @en
pubchem: 68057
smiles: CC1=CC2=C(C=C1)C(CCC2)(C)C
inchikey: LTMQZVLXCLQPCT-UHFFFAOYSA-N
broader: CHEMONTID_0000048
in scheme: Conceptschema Chemische Stoffen
notation: 1234T4H116TC

trifenylfosfineoxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 791-28-6
cas number: 47027-44-1
formula: C18H15OP
inchi: InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
iupac name: ['hydroxy-tri(phenyl)phosphanium', 'di(phenyl)phosphorylbenzene'] @en
pubchem: 13097
inchikey: FIQMHBFVRAXMOP-UHFFFAOYSA-N
broader: CHEMONTID_0001814
in scheme: Conceptschema Chemische Stoffen
notation: TPPO

sulfathiazole
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 158269-46-6
cas number: 6052-33-1
cas number: 72-14-0
formula: C9H9N3O2S2
inchi: InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
iupac name: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide @en
pubchem: 5340
smiles: C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2
inchikey: JNMRHUJNCSQMMB-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen

dihydrocholesterol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 80-97-7
cas number: 17608-41-2
cas number: 136173-96-1
formula: C27H48O
inchi: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3
iupac name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
pubchem: 3240
inchikey: QYIXCDOBOSTCEI-UHFFFAOYSA-N
broader: CHEMONTID_0001469
in scheme: Conceptschema Chemische Stoffen
notation: DHcEsrol

butoxypolypropyleenglycol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 59029-72-0
cas number: 12612-71-4
cas number: 220522-64-5
cas number: 29911-28-2
cas number: 158884-53-8
cas number: 39364-15-3
cas number: 9003-13-8
cas number: 71714-72-2
cas number: 83931-37-7
cas number: 36563-43-6
cas number: 30941-36-7
cas number: 102646-52-6
cas number: 57904-07-1
cas number: 9007-07-2
cas number: 37335-69-6
cas number: 9009-42-1
cas number: 39364-14-2
formula: C10H22O3
inchi: InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
iupac name: 1-(1-butoxypropan-2-yloxy)propan-2-ol @en
pubchem: 24752
smiles: CCCCOCC(C)OCC(C)O
inchikey: CUVLMZNMSPJDON-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: C4OxplC3yegc

difenoxuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 14214-32-5
formula: C16H18N2O3
inchi: InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)
iupac name: 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea @en
pubchem: 26576
inchikey: AMVYOVYGIJXTQB-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: Dfnxrn

glyceroldiacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25395-31-7
cas number: 102-62-5
cas number: 29860-16-0
cas number: 1300-63-6
cas number: 101364-64-1
formula: C7H12O5
inchi: InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3
iupac name: (1-acetyloxy-3-hydroxypropan-2-yl) acetate @en
pubchem: 66021
smiles: CC(=O)OCC(CO)OC(=O)C
inchikey: UXDDRFCJKNROTO-UHFFFAOYSA-N
broader: CHEMONTID_0001644
in scheme: Conceptschema Chemische Stoffen
notation: glycrDactt

1,3,3-trimethyloxindol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 20200-86-6
formula: C11H13NO
inchi: InChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3
iupac name: 1,3,3-trimethylindol-2-one @en
pubchem: 30001
smiles: CC1(C2=CC=CC=C2N(C1=O)C)C
inchikey: RFJITKCIMOLCNP-UHFFFAOYSA-N
broader: CHEMONTID_0000211
in scheme: Conceptschema Chemische Stoffen
notation: 133TC1yoidl

4-ethoxyethylbenzoezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 23676-09-7
formula: C11H14O3
inchi: InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
iupac name: Ethyl 4-ethoxybenzoate @en
pubchem: 90232
smiles: CCOC1=CC=C(C=C1)C(=O)OCC
inchikey: HRAQMGWTPNOILP-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: 4C2oxC1ybenz

methazol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 20354-26-1
formula: C9H6Cl2N2O3
inchi: InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3
iupac name: 2-(3,4-Dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione @en
pubchem: 4690
smiles: CN1C(=O)N(OC1=O)C2=CC(=C(C=C2)Cl)Cl
inchikey: LRUUNMYPIBZBQH-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: metzl

theobromine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 83-67-0
formula: C7H8N4O2
inchi: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
iupac name: 3,7-dimethylpurine-2,6-dione @en
pubchem: 5429
smiles: CN1C=NC2=C1C(=O)NC(=O)N2C
inchikey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
broader: CHEMONTID_0000247
in scheme: Conceptschema Chemische Stoffen
notation: theobmne

tetratetracontaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7098-22-8
formula: C44H90
iupac name: TETRATETRACONTANE @en
pubchem: 23494
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: KMXFZRSJMDYPPG-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C44a

1-(3-chloorfenyl)piperazine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 6640-24-0
formula: C10H13ClN2
inchi: InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
iupac name: 1-(3-Chlorophenyl)piperazine @en
pubchem: 1355
smiles: C1CN(CCN1)C2=CC(=CC=C2)Cl
inchikey: VHFVKMTVMIZMIK-UHFFFAOYSA-N
alternative label: 1-(3-Chloorfenyl)piperazine
broader: CHEMONTID_0001984
in scheme: Conceptschema Chemische Stoffen
notation: 13ClFypprzne

o-benzidine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1454-80-4
formula: C12H12N2
inchi: InChI=1S/C12H12N2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,13-14H2
iupac name: 2-(2-aminophenyl)aniline @en
pubchem: 15075
smiles: C1=CC=C(C(=C1)C2=CC=CC=C2N)N
inchikey: HOLGXWDGCVTMTB-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: obenzdne

methanal (formaldehyde)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II (D5, diverse art)
comment: VLAR II bijl. 4.4.2
comment: VLAR III (D3, diverse art)
cas number: 53026-80-5
cas number: 8005-38-7
cas number: 8013-13-6
cas number: 50-00-0
cas number: 12795-06-1
cas number: 112068-71-0
cas number: 8006-07-3
cas number: 30525-89-4
formula: CH2O
inchi: InChI=1S/CH2O/c1-2/h1H2
iupac name: FORMALDEHYDE @en
pubchem: 712
smiles: C=O
inchikey: WSFSSNUMVMOOMR-UHFFFAOYSA-N
is referenced by: LUC III 004
alternative label: paraformaldehyde
alternative label: formaldehyde
broader: CHEMONTID_0001831
in scheme: Conceptschema Chemische Stoffen
notation: parfAh
notation: C1al

zwaveldioxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 83008-56-4
cas number: 7446-09-5
cas number: 89125-89-3
cas number: 12396-99-5
cas number: 12624-32-7
cas number: 8014-94-6
formula: O2S
inchi: InChI=1S/O2S/c1-3-2
iupac name: Sulfur dioxide @en
pubchem: 1119
smiles: O=S=O
inchikey: RAHZWNYVWXNFOC-UHFFFAOYSA-N
is referenced by: CMA 2 III E
is referenced by: LUC III 008
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen
notation: SO2

methyl dimethyldithiocarbamaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3735-92-0
formula: C4H9NS2
inchi: InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3
iupac name: methyl dimethylaminomethanedithioate @en
pubchem: 19526
smiles: CN(C)C(=S)SC
inchikey: NBBZMDUHKWRYSZ-UHFFFAOYSA-N
broader: CHEMONTID_0003936
in scheme: Conceptschema Chemische Stoffen
notation: C1yDC1yDtocb

2,3,4,6,7-pentachloordibenzofuraan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 57117-42-7
cas number: 57117-43-8
formula: C12H3Cl5O
inchi: InChI=1S/C12H3Cl5O/c13-5-2-1-4-8-7(18-12(4)10(5)16)3-6(14)9(15)11(8)17/h1-3H
iupac name: 1,2,3,6,7-PENTACHLORODIBENZOFURAN @en
pubchem: 42139
inchikey: NZUPQBVDIWCPBX-UHFFFAOYSA-N
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF112

promethium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 22541-16-8
cas number: 7440-12-2
formula: Pm
inchi: InChI=1S/Pm
iupac name: PROMETHIUM @en
pubchem: 23944
smiles: [Pm]
inchikey: VQMWBBYLQSCNPO-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Pm

sulpiride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 23672-07-3
cas number: 15676-16-1
formula: C15H23N3O4S
inchi: InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
iupac name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide @en
pubchem: 5355
inchikey: BGRJTUBHPOOWDU-UHFFFAOYSA-N
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: sulprde

broomoxynil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1689-84-5
formula: C7H3Br2NO
inchi: InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
iupac name: 3,5-Dibromo-4-hydroxybenzonitrile @en
pubchem: 15531
smiles: C1=C(C=C(C(=C1Br)O)Br)C#N
inchikey: UPMXNNIRAGDFEH-UHFFFAOYSA-N
alternative label: bromoxynil
broader: CHEMONTID_0001530
in scheme: Conceptschema Chemische Stoffen
notation: BrOxnl

calciumsulfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 23296-15-3
cas number: 151621-69-1
cas number: 326855-67-8
cas number: 146522-67-0
cas number: 99400-01-8
cas number: 7778-18-9
formula: CaO4S
inchi: InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
iupac name: CALCIUM SULFATE @en
pubchem: 24497
smiles: [O-]S(=O)(=O)[O-].[Ca+2]
inchikey: OSGAYBCDTDRGGQ-UHFFFAOYSA-L
broader: CHEMONTID_0000699
in scheme: Conceptschema Chemische Stoffen
notation: CaSO4

1,2-epoxypropaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 75-56-9
cas number: 16033-71-9
formula: C3H6O
inchi: InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
iupac name: 2-methyloxirane @en
pubchem: 6378
smiles: CC1CO1
inchikey: GOOHAUXETOMSMM-UHFFFAOYSA-N
alternative label: propyleenoxide
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
notation: C3yeO

2,3,3',4-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 74338-24-2
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-8-3-1-2-7(6-8)9-4-5-10(14)12(16)11(9)15/h1-6H
iupac name: 1,2,3-trichloro-4-(3-chlorophenyl)benzene @en
pubchem: 63102
inchikey: ZKGSEEWIVLAUNH-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB55

trans-9,12-octadecadieenzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 506-21-8
cas number: 8024-22-4
cas number: 2197-37-7
cas number: 60-33-3
cas number: 80969-37-5
cas number: 17966-12-0
formula: C18H32O2
inchi: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
iupac name: (9Z,12Z)-octadeca-9,12-dienoic acid @en
pubchem: 5280450
smiles: CCCCCC=CCC=CCCCCCCCC(=O)O
inchikey: OYHQOLUKZRVURQ-HZJYTTRNSA-N
alternative label: linolzuur
broader: CHEMONTID_0000504
in scheme: Conceptschema Chemische Stoffen
notation: t912C18aDzr
notation: linzr

2,4-dimethylbenzaldehyde
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15764-16-6
formula: C9H10O
inchi: InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3
iupac name: 2,4-Dimethylbenzaldehyde @en
pubchem: 61814
smiles: CC1=CC(=C(C=C1)C=O)C
inchikey: GISVICWQYMUPJF-UHFFFAOYSA-N
broader: CHEMONTID_0000321
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1yBenAh

5-chloor-2-nitroaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1635-61-6
formula: C6H5ClN2O2
inchi: InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
iupac name: 5-Chloro-2-nitroaniline @en
pubchem: 74218
smiles: C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]
inchikey: ZCWXYZBQDNFULS-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 5Cl2NO2An

spiramycine i
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13441-34-4
cas number: 50762-61-3
cas number: 13430-00-7
cas number: 67262-35-5
cas number: 24916-50-5
cas number: 1403-57-2
cas number: 1405-25-0
cas number: 2517-38-6
formula: C43H74N2O14
inchi: InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1
iupac name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde @en
pubchem: 6440717
inchikey: ACTOXUHEUCPTEW-KWBWCIJSSA-N
alternative label: spiramycine I
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: spirmcI

pentaerythritoltetranitraat (petn)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 103842-90-6
cas number: 53025-84-6
cas number: 108736-71-6
cas number: 78-11-5
formula: C5H8N4O12
inchi: InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2
iupac name: [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate @en
pubchem: 6518
smiles: C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]
inchikey: TZRXHJWUDPFEEY-UHFFFAOYSA-N
alternative label: pentaerythritoltetranitraat (PETN)
broader: CHEMONTID_0004091
in scheme: Conceptschema Chemische Stoffen
notation: PeerttT4NO3

alanycarb
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 83130-01-2
formula: C17H25N3O4S2
inchi: InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-
iupac name: ethyl 3-[[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanyl-(phenylmethyl)amino]propanoate @en
pubchem: 9576091
inchikey: GMAUQNJOSOMMHI-JXAWBTAJSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: alncb

ceriumoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 385781-69-1
cas number: 1306-38-3
formula: CeO2
inchi: InChI=1S/Ce.2O
iupac name: dioxocerium @en
pubchem: 73963
smiles: O=[Ce]=O
inchikey: CETPSERCERDGAM-UHFFFAOYSA-N
broader: CHEMONTID_0000542
in scheme: Conceptschema Chemische Stoffen
notation: CeO2

desethylatrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 6190-65-4
formula: C6H10ClN5
inchi: InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
iupac name: 6-chloro-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
pubchem: 22563
smiles: CC(C)NC1=NC(=NC(=N1)N)Cl
inchikey: DFWFIQKMSFGDCQ-UHFFFAOYSA-N
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
notation: desC2yatzne

peryleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 198-55-0
cas number: 77392-71-3
formula: C20H12
inchi: InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
iupac name: Perylene @en
pubchem: 9142
inchikey: CSHWQDPOILHKBI-UHFFFAOYSA-N
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: Pe

flurtamon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 96525-23-4
formula: C18H14F3NO2
inchi: InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3
iupac name: 5-methylamino-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one @en
pubchem: 91755
inchikey: NYRMIJKDBAQCHC-UHFFFAOYSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: flrtmn

tertiair-butylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 98-06-6
formula: C10H14
inchi: InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
iupac name: tert-Butylbenzene @en
pubchem: 7366
smiles: CC(C)(C)C1=CC=CC=C1
inchikey: YTZKOQUCBOVLHL-UHFFFAOYSA-N
alternative label: tert-butylbenzeen
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: ttC4yBen

geëthoxyleerde isodecylalcohol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 82376-08-7
cas number: 61827-42-7
formula: C12H26O2
inchi: InChI=1S/C12H26O2/c1-12(2)8-6-4-3-5-7-10-14-11-9-13/h12-13H,3-11H2,1-2H3
iupac name: 2-(8-methylnonoxy)ethanol @en
pubchem: 94600
smiles: CC(C)CCCCCCCOCCO
inchikey: LHTCFGRXHNJRBP-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: geetxldiC10y

dibutyltin (kation)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14488-53-0
formula: C8H18Sn
inchi: InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q2*-1;+2
iupac name: butane; tin(+2) cation @en
pubchem: 26713
smiles: CCC[CH2-].CCC[CH2-].[Sn+2]
inchikey: VVAQOYUUECXZAZ-UHFFFAOYSA-N
broader: CHEMONTID_0003865
in scheme: Conceptschema Chemische Stoffen
notation: DC4ySn

nikkel
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR bijl. 2.5.8.1 'Nikkel'
comment: VLAR III (D3) 'Nikkel en de verbindingen daarvan, uitgedrukt als nikkel (Ni)'
comment: VLAR II (D2/D5) 'nikkel'
comment: VLAR III (D3) 'Nikkel'
comment: VLAR II bijl. 4.4.2 'nikkel en zijn verbindingen, uitgedrukt in Ni'
comment: VLAR II (D5) 'nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)'
comment: VLAR III (D3, diverse art) 'Ni'
comment: VLAR II bijl. 4.4.2 nikkel (nikkelmetaal, nikkelsulfide en sulfidische ertsen, nikkeloxide en nikkelcarbonaat, nikkeltetracarbonyl), uitgedrukt in Ni'
cas number: 195161-84-3
cas number: 39303-46-3
cas number: 53527-81-4
cas number: 68412-20-4
cas number: 17375-04-1
cas number: 21595-53-9
cas number: 7440-02-0
cas number: 14903-34-5
cas number: 112084-17-0
cas number: 8049-31-8
formula: Ni
inchi: InChI=1S/Ni
iupac name: Nickel @en
pubchem: 935
smiles: [Ni]
inchikey: PXHVJJICTQNCMI-UHFFFAOYSA-N
is referenced by: LUC I 002
is referenced by: LUC III 010
alternative label: Nikkel (Ni)
broader: CHEMONTID_0000426
definition: nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)
in scheme: Conceptschema Chemische Stoffen
notation: Ni

isofenfos-oxon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 31120-85-1
formula: C15H24NO5P
inchi: InChI=1S/C15H24NO5P/c1-6-19-22(18,16-11(2)3)21-14-10-8-7-9-13(14)15(17)20-12(4)5/h7-12H,6H2,1-5H3,(H,16,18)
iupac name: propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzoate @en
pubchem: 35736
smiles: CCOP(=O)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C
inchikey: DZUPKTNAUCDVTL-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: iffOon

terbumeton
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 33693-04-8
formula: C10H19N5O
inchi: InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
iupac name: N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine @en
pubchem: 36584
smiles: CCNC1=NC(=NC(=N1)OC)NC(C)(C)C
inchikey: BCQMBFHBDZVHKU-UHFFFAOYSA-N
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
notation: terbmtn

2,4-D chloorcrotyl-ester
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2971-38-2
formula: C12H11Cl3O3
inchi: InChI=1S/C12H11Cl3O3/c13-5-1-2-6-17-12(16)8-18-11-4-3-9(14)7-10(11)15/h1-4,7H,5-6,8H2/b2-1+
iupac name: [(E)-4-chlorobut-2-enyl] 2-(2,4-dichlorophenoxy)acetate @en
pubchem: 6433355
smiles: C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC=CCCl
inchikey: NEVMZYLKPFGDJB-OWOJBTEDSA-N
alternative label: 2,4-d chloorcrotyl-ester
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: 24DClctEsr

doramectine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 117704-25-3
formula: C50H74O14
inchi: InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44?,45-,46?,47+,49+,50+/m0/s1
iupac name: (1'R,2R,3S,4'S,6S,8'R,10'E,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one @en
pubchem: 6436133
inchikey: QLFZZSKTJWDQOS-NJPOTTGESA-N
broader: CHEMONTID_0000147
in scheme: Conceptschema Chemische Stoffen
notation: dormtne

1-chloor-2,4-dinitrobenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 97-00-7
formula: C6H3ClN2O4
inchi: InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
iupac name: 1-chloro-2,4-dinitrobenzene @en
pubchem: 6
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
inchikey: VYZAHLCBVHPDDF-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 1Cl24DNO2Ben

ethiofencarb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 29973-13-5
cas number: 56730-58-6
cas number: 56729-20-5
formula: C11H15NO2S
inchi: InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
iupac name: [2-(ethylsulfanylmethyl)phenyl] N-methylcarbamate @en
pubchem: 34766
smiles: CCSCC1=CC=CC=C1OC(=O)NC
inchikey: HEZNVIYQEUHLNI-UHFFFAOYSA-N
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: etofcb

clodinafop
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 114420-56-3
formula: C14H11ClFNO4
inchi: InChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
iupac name: (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid @en
pubchem: 5483847
inchikey: YUIKUTLBPMDDNQ-MRVPVSSYSA-N
broader: CHEMONTID_0004674
in scheme: Conceptschema Chemische Stoffen
notation: clodnfp

cyclopentadecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 295-48-7
formula: C15H30
inchi: InChI=1S/C15H30/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-15H2
iupac name: Cyclopentadecane @en
pubchem: 67525
smiles: C1CCCCCCCCCCCCCC1
inchikey: SRONXYPFSAKOGH-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: cycC15a

pentanal (n-valeraldehyde)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 110-62-3
formula: C5H10O
inchi: InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
iupac name: Pentanal @en
pubchem: 8063
smiles: CCCCC=O
inchikey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
broader: CHEMONTID_0002434
in scheme: Conceptschema Chemische Stoffen
notation: C5al

2-acetylfuran
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1192-62-7
cas number: 80145-44-4
formula: C6H6O2
inchi: InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
iupac name: 1-furan-2-ylethanone @en
pubchem: 14505
smiles: CC(=O)C1=CC=CO1
inchikey: IEMMBWWQXVXBEU-UHFFFAOYSA-N
broader: CHEMONTID_0003671
in scheme: Conceptschema Chemische Stoffen
notation: 2actfrn

4-tert-butylcyclohexanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 98-53-3
formula: C10H18O
inchi: InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
iupac name: 4-tert-butylcyclohexan-1-one @en
pubchem: 7392
smiles: CC(C)(C)C1CCC(=O)CC1
inchikey: YKFKEYKJGVSEIX-UHFFFAOYSA-N
broader: CHEMONTID_0003487
in scheme: Conceptschema Chemische Stoffen
notation: 4ttC4yccC6on

diquatdibromide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 85-00-7
cas number: 66630-68-0
cas number: 34417-68-0
formula: C12H12Br2N2
inchi: InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2
iupac name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide @en
pubchem: 6794
smiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]
inchikey: ODPOAESBSUKMHD-UHFFFAOYSA-L
broader: CHEMONTID_0001764
in scheme: Conceptschema Chemische Stoffen
notation: DqBr

n-nonaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
cas number: 61193-19-9
cas number: 111-84-2
formula: C9H20
inchi: InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
iupac name: Nonane @en
pubchem: 8141
smiles: CCCCCCCCC
inchikey: BKIMMITUMNQMOS-UHFFFAOYSA-N
is referenced by: LUC IV 006
is referenced by: LUC IV 000
is referenced by: LUC IV 011
alternative label: nonaan
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C9a

3,4,5-trichloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 609-19-8
formula: C6H3Cl3O
inchi: InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
iupac name: 3,4,5-Trichlorophenol @en
pubchem: 11859
smiles: C1=C(C=C(C(=C1Cl)Cl)Cl)O
inchikey: GBNHEBQXJVDXSW-UHFFFAOYSA-N
broader: CHEMONTID_0002772
in scheme: Conceptschema Chemische Stoffen
notation: 345TClFol

2,2',3,4,5,5'-hexachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 52112-04-6
cas number: 52712-04-6
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-5-1-2-8(14)6(3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H
iupac name: 1,2,3,4-tetrachloro-5-(2,5-dichlorophenyl)benzene @en
pubchem: 40234
inchikey: UCLKLGIYGBLTSM-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB141

zwavel
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7704-34-9
formula: S
inchi: InChI=1S/S
iupac name: sulfur @en
pubchem: 5362487
smiles: CC(C)NC1=NC(=NC(=N1)SC)NC(C)C
inchikey: NINIDFKCEFEMDL-UHFFFAOYSA-N
broader: CHEMONTID:0000555
in scheme: Conceptschema Chemische Stoffen
notation: S

methyl-4-broomacetoacetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 17790-81-7
formula: C5H7BrO3
inchi: InChI=1S/C5H7BrO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3
iupac name: Methyl 4-bromo-3-oxobutanoate @en
pubchem: 295655
smiles: COC(=O)CC(=O)CBr
inchikey: CZRWOPRGDPUSDE-UHFFFAOYSA-N
broader: CHEMONTID_0001114
in scheme: Conceptschema Chemische Stoffen
notation: C1y4Bractact

celestolide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 88401-65-4
cas number: 13171-00-1
formula: C17H24O
inchi: InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3
iupac name: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone @en
pubchem: 61585
smiles: CC(=O)C1=C2CCC(C2=CC(=C1)C(C)(C)C)(C)C
inchikey: IKTHMQYJOWTSJO-UHFFFAOYSA-N
broader: CHEMONTID_0000027
in scheme: Conceptschema Chemische Stoffen
notation: ADBI

butylacrylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 86090-89-3
cas number: 141-32-2
cas number: 220713-31-5
cas number: 164251-78-9
cas number: 56257-66-0
cas number: 81989-46-0
cas number: 62362-39-4
cas number: 9003-49-0
cas number: 71343-67-4
cas number: 126492-54-4
cas number: 112790-39-3
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
iupac name: butyl prop-2-enoate @en
pubchem: 8846
smiles: CCCCOC(=O)C=C
inchikey: CQEYYJKEWSMYFG-UHFFFAOYSA-N
alternative label: n-butylacrylaat
broader: CHEMONTID_0004452
in scheme: Conceptschema Chemische Stoffen
notation: C4yaclt

jodium 125
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14158-31-7
formula: HI
inchi: InChI=1S/HI/h1H/i1-2
iupac name: Iodane-125 @en
pubchem: 104800
smiles: I
inchikey: XMBWDFGMSWQBCA-YPZZEJLDSA-N
broader: CHEMONTID_0000548
in scheme: Conceptschema Chemische Stoffen
notation: I125

1,3-dihydroxypropaan-2-yl-octadecanoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 621-61-4
formula: C21H42O4
inchi: InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
iupac name: 1,3-dihydroxypropan-2-yl octadecanoate @en
pubchem: 79075
smiles: CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
inchikey: YQEMORVAKMFKLG-UHFFFAOYSA-N
broader: CHEMONTID_0001603
in scheme: Conceptschema Chemische Stoffen
notation: 13DHOxC3a2yC

meta-xyleen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'xylenen'
cas number: 108-38-3
formula: C8H10
inchi: InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
iupac name: 1,3-Dimethylbenzene @en
pubchem: 7929
smiles: CC1=CC(=CC=C1)C
inchikey: IVSZLXZYQVIEFR-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 001
is referenced by: LUC IV 000
alternative label: 1,3-Dimethylbenzeen
alternative label: 1,3-xyleen
alternative label: m-xyleen
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: 13xyln

acenafteen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 83-32-9
formula: C12H10
inchi: InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
iupac name: Acenaphthene @en
pubchem: 6734
smiles: C1CC2=CC=CC3=C2C1=CC=C3
inchikey: CWRYPZZKDGJXCA-UHFFFAOYSA-N
is referenced by: LUC VI 001
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: AcNe

emamectin-benzoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 155569-91-8
formula: C56H81NO15
inchi: InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1
iupac name: benzoic acid;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one @en
pubchem: 11650986
inchikey: GCKZANITAMOIAR-XWVCPFKXSA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: emmtbzat

propanolol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 525-66-6
cas number: 13013-17-7
formula: C16H21NO2
inchi: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
iupac name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol @en
pubchem: 4946
smiles: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
inchikey: AQHHHDLHHXJYJD-UHFFFAOYSA-N
alternative label: propranolol
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: propnll

dodecyldimethylbenzylammoniumchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 67377-59-7
cas number: 8038-88-8
cas number: 78565-22-7
cas number: 51796-11-3
cas number: 10328-35-5
cas number: 139-07-1
cas number: 95078-12-9
cas number: 107397-84-2
formula: C21H38ClN
inchi: InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
iupac name: benzyl-dodecyl-dimethylazanium chloride @en
pubchem: 8753
smiles: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
inchikey: JBIROUFYLSSYDX-UHFFFAOYSA-M
broader: CHEMONTID_0003977
in scheme: Conceptschema Chemische Stoffen
notation: DDBAC

tetradifon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 116-29-0
formula: C12H6Cl4O2S
inchi: InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H
iupac name: 1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene @en
pubchem: 8305
inchikey: MLGCXEBRWGEOQX-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: T4Dfn

hexaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68603-84-9
cas number: 13476-79-4
cas number: 67762-36-1
cas number: 53896-26-7
cas number: 16571-42-9
cas number: 19455-00-6
cas number: 8040-17-3
cas number: 142-62-1
cas number: 70248-25-8
cas number: 51109-46-7
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
iupac name: Hexanoic acid @en
pubchem: 8892
smiles: CCCCCC(=O)O
inchikey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: C6azr

dibenzo(a,l)pyreen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 189-55-9
formula: C24H14
inchi: InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H
iupac name: hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene @en
pubchem: 9106
inchikey: TUGYIJVAYAHHHM-UHFFFAOYSA-N
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
notation: DBalP

pirlimycine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 79548-73-5
formula: C17H31ClN2O5S
iupac name: (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide @en
pubchem: 157385
inchikey: HBJOXQRURQPDEX-MHXMMLMNSA-N
broader: CHEMONTID_0002309
in scheme: Conceptschema Chemische Stoffen

n-pentaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
cas number: 68647-60-9
cas number: 8031-35-4
cas number: 109-66-0
cas number: 68476-43-7
cas number: 68475-60-5
cas number: 68476-55-1
cas number: 102056-77-9
formula: C5H12
inchi: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
iupac name: Pentane @en
pubchem: 8003
smiles: CCCCC
inchikey: OFBQJSOFQDEBGM-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 006
alternative label: pentaan
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C5a

ketamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 33643-45-7
cas number: 6740-88-1
cas number: 79499-51-7
cas number: 100477-72-3
formula: C13H16ClNO
inchi: InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
iupac name: 2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one @en
pubchem: 3821
smiles: CNC1(CCCCC1=O)C2=CC=CC=C2Cl
inchikey: YQEZLKZALYSWHR-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: ketAe

broomchloordifluormethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 353-59-3
cas number: 11104-73-7
formula: CBrClF2
inchi: InChI=1S/CBrClF2/c2-1(3,4)5
iupac name: bromo-chloro-difluoromethane @en
pubchem: 9625
smiles: C(F)(F)(Cl)Br
inchikey: MEXUFEQDCXZEON-UHFFFAOYSA-N
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: halon1211

2,2',3,3',4,4',5,6-octachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 55722-26-4
cas number: 31472-83-0
cas number: 11064-17-8
cas number: 52663-78-2
formula: C12H2Cl8
inchi: InChI=1S/C12H2Cl8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2H
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene @en
pubchem: 40485
inchikey: JAHJITLFJSDRCG-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB195

perfluorheptaansulfonzuur (pfhps)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 375-92-8
formula: C7HF15O3S
inchi: InChI=1S/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid @en
pubchem: 67820
inchikey: OYGQVDSRYXATEL-UHFFFAOYSA-N
alternative label: perfluor-1-heptaansulfonzuur
alternative label: perfluor-n-heptaansulfonzuur (pfhps)
alternative label: perfluor-n-heptaansulfonzuur
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
notation: PFHpS
notation: L_PFHpS

4-ethylfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 24979-70-2
cas number: 123-07-9
cas number: 29471-88-3
cas number: 101052-19-1
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
iupac name: 4-Ethylphenol @en
pubchem: 31242
smiles: CCC1=CC=C(C=C1)O
inchikey: HXDOZKJGKXYMEW-UHFFFAOYSA-N
broader: CHEMONTID_0004646
in scheme: Conceptschema Chemische Stoffen
notation: 4C2yFol

fluorglycofen-ethyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 77501-90-7
formula: C18H13ClF3NO7
iupac name: (2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate @en
pubchem: 53672
inchikey: IPPAUTOBDWNELX-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: fluogcfnC2y

bis(1,1,3,3-tetramethylbutyl) disulfide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 29956-99-8
formula: C16H34S2
inchi: InChI=1S/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3
iupac name: 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yldisulfanyl)pentane @en
pubchem: 121601
smiles: CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C
inchikey: ZIMCZOLRXKPXLN-UHFFFAOYSA-N
broader: CHEMONTID_0004089
in scheme: Conceptschema Chemische Stoffen
notation: bis1133T4C1y

2,4,8,10 tetraoxaspiro(5.5)undecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 126-54-5
formula: C7H12O4
inchi: InChI=1S/C7H12O4/c1-7(2-9-5-8-1)3-10-6-11-4-7/h1-6H2
iupac name: 2,4,8,10-Tetraoxaspiro[5.5]undecane @en
pubchem: 78951
smiles: C1C2(COCO1)COCOC2
inchikey: BGCSUUSPRCDKBQ-UHFFFAOYSA-N
broader: CHEMONTID_0001314
in scheme: Conceptschema Chemische Stoffen
notation: 24810T4Oasr5

benzidine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 56481-94-8
cas number: 92-87-5
cas number: 46310-07-0
formula: C12H12N2
inchi: InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
iupac name: 4-(4-aminophenyl)aniline @en
pubchem: 7111
smiles: C1=CC(=CC=C1C2=CC=C(C=C2)N)N
inchikey: HFACYLZERDEVSX-UHFFFAOYSA-N
broader: CHEMONTID_0003955
in scheme: Conceptschema Chemische Stoffen
notation: benzdne

acetofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 98-86-2
formula: C8H8O
inchi: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
iupac name: 1-Phenylethanone @en
pubchem: 7410
smiles: CC(=O)C1=CC=CC=C1
inchikey: KWOLFJPFCHCOCG-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: actfnn

barbital
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 57-44-3
formula: C8H12N2O3
inchi: InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
iupac name: 5,5-diethyl-1,3-diazinane-2,4,6-trione @en
pubchem: 2294
smiles: CCC1(C(=O)NC(=O)NC1=O)CC
inchikey: FTOAOBMCPZCFFF-UHFFFAOYSA-N
broader: CHEMONTID_0000292
in scheme: Conceptschema Chemische Stoffen
notation: barbtl

radon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 10043-92-2
formula: Rn
inchi: InChI=1S/Rn
iupac name: RADON @en
pubchem: 24857
smiles: [Rn]
inchikey: SYUHGPGVQRZVTB-UHFFFAOYSA-N
broader: CHEMONTID_0000433
in scheme: Conceptschema Chemische Stoffen
notation: Rn

trifluorazijnzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 76-05-1
formula: C2HF3O2
inchi: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
iupac name: 2,2,2-trifluoroacetic acid @en
pubchem: 6422
smiles: C(=O)(C(F)(F)F)O
inchikey: DTQVDTLACAAQTR-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: TFHAc

1-(pentyloctyl)-benzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4534-49-0
formula: C19H32
inchi: InChI=1S/C19H32/c1-3-5-7-8-11-15-18(14-10-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3
iupac name: tridecan-6-ylbenzene @en
pubchem: 20632
smiles: CCCCCCCC(CCCCC)C1=CC=CC=C1
inchikey: OTSYFFDVDLHIKX-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 1C5yC8yBen

1,1-dichloorethyleen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 39373-50-7
cas number: 9050-12-8
cas number: 120025-75-4
cas number: 9002-85-1
cas number: 56590-95-5
cas number: 25038-48-6
cas number: 37243-65-5
cas number: 75-35-4
cas number: 50861-72-8
cas number: 50926-92-6
formula: C2H2Cl2
inchi: InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
iupac name: 1,1-Dichloroethene @en
pubchem: 6366
smiles: C=C(Cl)Cl
inchikey: LGXVIGDEPROXKC-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 011
is referenced by: LUC IV 002
alternative label: 1,1-dichlooretheen
alternative label: 1,1-dichloorethaan
broader: CHEMONTID_0001168
in scheme: Conceptschema Chemische Stoffen
notation: 11DClC2e

goud
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 15456-07-2
cas number: 59597-42-1
cas number: 33019-35-1
cas number: 7440-57-5
formula: Au
inchi: InChI=1S/Au
iupac name: GOLD @en
pubchem: 23985
smiles: [Au]
inchikey: PCHJSUWPFVWCPO-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Au

hexazinon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51235-04-2
formula: C12H20N4O2
inchi: InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
iupac name: 3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4-dione @en
pubchem: 39965
smiles: CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C
inchikey: CAWXEEYDBZRFPE-UHFFFAOYSA-N
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: Hxznn

2-butanon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'butanon'
cas number: 135311-02-3
cas number: 78-93-3
formula: C4H8O
inchi: InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
iupac name: butan-2-one @en
pubchem: 6569
smiles: CCC(=O)C
inchikey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 012
is referenced by: LUC IV 007
alternative label: 2-butanon (MEK)
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 2C4on

2,2',4,6-tetrachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 62796-65-0
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-7-5-10(15)12(11(16)6-7)8-3-1-2-4-9(8)14/h1-6H
iupac name: 1,3,5-trichloro-2-(2-chlorophenyl)benzene @en
pubchem: 44163
smiles: C1=CC=C(C(=C1)C2=C(C=C(C=C2Cl)Cl)Cl)Cl
inchikey: VLLVVZDKBSYMCG-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB50

gabapentine-lactam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 64744-50-9
formula: C9H15NO
inchi: InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
iupac name: 2-azaspiro[4.5]decan-3-one @en
pubchem: 47457
smiles: C1CCC2(CC1)CC(=O)NC2
inchikey: JAWPQJDOQPSNIQ-UHFFFAOYSA-N
broader: CHEMONTID_0000130
in scheme: Conceptschema Chemische Stoffen
notation: gabptnltm

1-nitronaftaleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 86-57-7
cas number: 27254-36-0
formula: C10H7NO2
inchi: InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
iupac name: ['1-Nitronaphthalene', 'N,N-dihydroxynaphthalen-1-amine'] @en
pubchem: 6849
smiles: C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-]
inchikey: RJKGJBPXVHTNJL-UHFFFAOYSA-N
broader: CHEMONTID_0002275
in scheme: Conceptschema Chemische Stoffen
notation: 1NO2Naf

aminotrimethyleen fosfonzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6419-19-8
cas number: 40588-62-3
cas number: 27794-93-0
formula: C3H6K6NO9P3
inchi: InChI=1S/C3H12NO9P3.6K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;;/q;6*+1/p-6
iupac name: hexapotassium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine @en
pubchem: 161581
smiles: C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+]
inchikey: DKPHLYCEFBDQKM-UHFFFAOYSA-H
broader: CHEMONTID_0001302
in scheme: Conceptschema Chemische Stoffen
notation: AoTC1yePA

beflubutamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 113614-08-7
formula: C18H17F4NO2
inchi: InChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)
iupac name: 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(phenylmethyl)butanamide @en
pubchem: 6451159
inchikey: FFQPZWRNXKPNPX-UHFFFAOYSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: befbtAd

radium 224
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13233-32-4
formula: Ra
inchi: InChI=1S/Ra/i1-2
iupac name: radium-224 @en
pubchem: 6328538
smiles: [Ra]
inchikey: HCWPIIXVSYCSAN-YPZZEJLDSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Ra224

octadecanamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 37189-35-8
cas number: 124-26-5
formula: C18H37NO
inchi: InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)
iupac name: Octadecanamide @en
pubchem: 31292
smiles: CCCCCCCCCCCCCCCCCC(=O)N
inchikey: LYRFLYHAGKPMFH-UHFFFAOYSA-N
broader: CHEMONTID_0002484
in scheme: Conceptschema Chemische Stoffen
notation: C18aAd

1-hydroxypyreen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 63021-84-1
cas number: 5315-79-7
formula: C16H10O
inchi: InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
iupac name: Pyren-1-ol @en
pubchem: 21387
smiles: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
inchikey: BIJNHUAPTJVVNQ-UHFFFAOYSA-N
broader: CHEMONTID_0001851
in scheme: Conceptschema Chemische Stoffen
notation: 1HOxPyr

2-fenylacetamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4463-20-1
cas number: 103-81-1
formula: C8H9NO
inchi: InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
iupac name: 2-Phenylacetamide @en
pubchem: 7680
smiles: C1=CC=C(C=C1)CC(=O)N
inchikey: LSBDFXRDZJMBSC-UHFFFAOYSA-N
broader: CHEMONTID_0002363
in scheme: Conceptschema Chemische Stoffen
notation: 2FyacAd

boterzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 107-92-6
formula: C4H8O2
inchi: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
iupac name: butanoic acid @en
pubchem: 264
smiles: CCCC(=O)O
inchikey: FERIUCNNQQJTOY-UHFFFAOYSA-N
broader: CHEMONTID_0000333
in scheme: Conceptschema Chemische Stoffen
notation: botzr

1,2,4,5-tetrachloorbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 63697-22-3
cas number: 95-94-3
cas number: 12408-10-5
formula: C6H2Cl4
inchi: InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
iupac name: 1,2,4,5-Tetrachlorobenzene @en
pubchem: 7270
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)Cl
inchikey: JHBKHLUZVFWLAG-UHFFFAOYSA-N
alternative label: tetrachloorbenzeen
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: 1245T4ClBen
notation: T4ClBen

nodularin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 118399-22-7
formula: C41H60N8O10
inchi: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8+
iupac name: (2E)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid @en
pubchem: 6437077
inchikey: IXBQSRWSVIBXNC-ANPQUZCZSA-N
broader: CHEMONTID_0004831
in scheme: Conceptschema Chemische Stoffen
notation: nodlrn

4-methyl-2-nitroaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 89-62-3
formula: C7H8N2O2
inchi: InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
iupac name: 4-Methyl-2-nitroaniline @en
pubchem: 6978
smiles: CC1=CC(=C(C=C1)N)[N+](=O)[O-]
inchikey: DLURHXYXQYMPLT-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 4C1y2NO2An

rhodium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 24546-24-5
cas number: 100041-37-0
cas number: 7440-16-6
formula: Rh
inchi: InChI=1S/Rh
iupac name: RHODIUM @en
pubchem: 23948
smiles: [Rh]
inchikey: MHOVAHRLVXNVSD-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Rh

triamifos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1031-47-6
formula: C12H19N6OP
inchi: InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)
iupac name: 2-bis(dimethylamino)phosphoryl-5-phenyl-1,2,4-triazol-3-amine @en
pubchem: 13943
inchikey: BABJTMNVJXLAEX-UHFFFAOYSA-N
broader: CHEMONTID_0003314
in scheme: Conceptschema Chemische Stoffen
notation: Tamfs

perfluoroctaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 65618-66-8
cas number: 335-67-1
cas number: 33496-48-9
formula: C8HF15O2
inchi: InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid @en
pubchem: 9554
inchikey: SNGREZUHAYWORS-UHFFFAOYSA-N
alternative label: perfluoroctaanzuur (pfoa)
alternative label: perfluor-n-octaanzuur
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFOA

eugenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 97-53-0
formula: C10H12O2
inchi: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
iupac name: 2-Methoxy-4-prop-2-enylphenol @en
pubchem: 3314
smiles: COC1=C(C=CC(=C1)CC=C)O
inchikey: RRAFCDWBNXTKKO-UHFFFAOYSA-N
broader: CHEMONTID_0000190
in scheme: Conceptschema Chemische Stoffen
notation: eugnl

azelastine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 79307-93-0
cas number: 37932-96-0
cas number: 58581-89-8
formula: C22H25Cl2N3O
inchi: InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H
iupac name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one hydrochloride @en
pubchem: 54360
inchikey: YEJAJYAHJQIWNU-UHFFFAOYSA-N
broader: CHEMONTID_0000209
in scheme: Conceptschema Chemische Stoffen
notation: azltne

perfluorhexadecaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 67905-19-5
formula: C16HF31O2
inchi: InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecanoic acid @en
pubchem: 106027
inchikey: OJMBMWRMTMHMSZ-UHFFFAOYSA-N
alternative label: perfluor-n-hexadecaanzuur (pfhxda)
alternative label: perfluorhexadecaanzuur (pfhxda)
alternative label: perfluor-n-hexadecaanzuur
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: PFHxDA
notation: PFC16azr

rabeprazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 117976-89-3
formula: C18H21N3O3S
inchi: InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
iupac name: 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole @en
pubchem: 5029
inchikey: YREYEVIYCVEVJK-UHFFFAOYSA-N
broader: CHEMONTID_0001891
in scheme: Conceptschema Chemische Stoffen

clobetasolpropionaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 25122-46-7
formula: C25H32ClFO5
inchi: InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
iupac name: [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate @en
pubchem: 32798
inchikey: CBGUOGMQLZIXBE-XGQKBEPLSA-N
broader: CHEMONTID_0001468
in scheme: Conceptschema Chemische Stoffen
notation: clobtsppont

butanal
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 123-72-8
formula: C4H8O
inchi: InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
iupac name: BUTANAL @en
pubchem: 261
smiles: CCCC=O
inchikey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
alternative label: butyraldehyde
broader: CHEMONTID_0002434
in scheme: Conceptschema Chemische Stoffen
notation: C4al

cis-permetryn
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 57608-04-5
cas number: 61949-76-6
cas number: 93388-66-0
cas number: 63364-00-1
cas number: 75497-64-2
cas number: 54774-45-7
cas number: 52645-53-1
cas number: 60018-94-2
formula: C21H20Cl2O3
inchi: InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19-/m0/s1
iupac name: [3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 40463
inchikey: RLLPVAHGXHCWKJ-HKUYNNGSSA-N
alternative label: permethrin
alternative label: cis-permethrin
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: cpermtn
notation: permtn

trans-1,4-dichloor-2-buteen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 110-57-6
cas number: 764-41-0
formula: C4H6Cl2
inchi: InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
iupac name: ['1,4-Dichlorobut-2-ene', '(E)-1,4-dichlorobut-2-ene'] @en
pubchem: 642197
smiles: C(C=CCCl)Cl
inchikey: FQDIANVAWVHZIR-OWOJBTEDSA-N
alternative label: 1,4-dichloor-2-buteen
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 14DCl2C4e
notation: t14DCl2C4e

N-propylaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 622-80-0
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
iupac name: N-PROPYLANILINE @en
pubchem: 12153
smiles: CCCNC1=CC=CC=C1
inchikey: CDZOGLJOFWFVOZ-UHFFFAOYSA-N
alternative label: n-propylaniline
broader: CHEMONTID_0003924
in scheme: Conceptschema Chemische Stoffen
notation: NC3yAn

methyleenbisthiocyanaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 6317-18-6
formula: C3H2N2S2
inchi: InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2
iupac name: dithiocyanatomethane @en
pubchem: 22772
smiles: C(SC#N)SC#N
inchikey: JWZXKXIUSSIAMR-UHFFFAOYSA-N
broader: CHEMONTID_0002132
in scheme: Conceptschema Chemische Stoffen
notation: C1yebtoCN

2-chlooraceetamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 79-07-2
formula: C2H4ClNO
inchi: InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
iupac name: 2-Chloroacetamide @en
pubchem: 6580
smiles: C(C(=O)N)Cl
inchikey: VXIVSQZSERGHQP-UHFFFAOYSA-N
broader: CHEMONTID_0004527
in scheme: Conceptschema Chemische Stoffen
notation: 2ClacAd

fosfine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
comment: VLAR III (D3) 'fosforwaterstof'
cas number: 7803-51-2
cas number: 29879-37-6
cas number: 167076-44-0
formula: H3P
inchi: InChI=1S/H3P/h1H3
iupac name: ['phosphane', '$l^{1}-phosphane'] @en
pubchem: 24404
smiles: P
inchikey: XYFCBTPGUUZFHI-UHFFFAOYSA-N
alternative label: fosforwaterstof of fosfine of fosfaan?
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen
notation: fosfne

vinylacetaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II bijl. 4.4.2
cas number: 61891-42-7
cas number: 82041-23-4
cas number: 85306-26-9
cas number: 220713-36-0
cas number: 108-05-4
formula: C4H6O2
inchi: InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
iupac name: Ethenyl acetate @en
pubchem: 7904
smiles: CC(=O)OC=C
inchikey: XTXRWKRVRITETP-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 004
broader: CHEMONTID_0002354
in scheme: Conceptschema Chemische Stoffen
notation: vinactt

propoxur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 114-26-1
formula: C11H15NO3
inchi: InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
iupac name: (2-propan-2-yloxyphenyl) N-methylcarbamate @en
pubchem: 4944
smiles: CC(C)OC1=CC=CC=C1OC(=O)NC
inchikey: ISRUGXGCCGIOQO-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: propxr

glycerine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 75398-78-6
cas number: 25618-55-7
cas number: 8013-25-0
cas number: 37228-54-9
cas number: 30049-52-6
cas number: 78630-16-7
cas number: 64333-26-2
cas number: 8043-29-6
cas number: 56-81-5
cas number: 29796-42-7
cas number: 175385-78-1
formula: C3H8O3
inchi: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
iupac name: PROPANE-1,2,3-TRIOL @en
pubchem: 753
smiles: C(C(CO)O)O
inchikey: PEDCQBHIVMGVHV-UHFFFAOYSA-N
broader: CHEMONTID_0002210
in scheme: Conceptschema Chemische Stoffen
notation: glycrne

2,3,3',4,4',5,6-heptachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 41411-64-7
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-5-2-1-4(3-6(5)14)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H
iupac name: 1,2,3,4,5-pentachloro-6-(3,4-dichlorophenyl)benzene @en
pubchem: 38857
inchikey: TYEDCFVCFDKSBK-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB190

2,5-dichlooraniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 95-82-9
formula: C6H5Cl2N
inchi: InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
iupac name: 2,5-Dichloroaniline @en
pubchem: 7262
smiles: C1=CC(=C(C=C1Cl)N)Cl
inchikey: AVYGCQXNNJPXSS-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 25DClAn

pentachloorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 76-01-7
formula: C2HCl5
inchi: InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H
iupac name: 1,1,1,2,2-pentachloroethane @en
pubchem: 6419
smiles: C(C(Cl)(Cl)Cl)(Cl)Cl
inchikey: BNIXVQGCZULYKV-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: PeClC2a

dichloordifluormethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 185009-39-6
cas number: 75-71-8
cas number: 62185-71-1
formula: CCl2F2
inchi: InChI=1S/CCl2F2/c2-1(3,4)5
iupac name: dichloro-difluoromethane @en
pubchem: 6391
smiles: C(F)(F)(Cl)Cl
inchikey: PXBRQCKWGAHEHS-UHFFFAOYSA-N
alternative label: dichloordifluormethaan (cfk12)
broader: CHEMONTID_0004521
in scheme: Conceptschema Chemische Stoffen
notation: CFK12

promethazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 73745-50-3
cas number: 38878-40-9
cas number: 60-87-7
formula: C17H20N2S
inchi: InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
iupac name: N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine @en
pubchem: 4927
smiles: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C
inchikey: PWWVAXIEGOYWEE-UHFFFAOYSA-N
broader: CHEMONTID_0000310
in scheme: Conceptschema Chemische Stoffen
notation: promtzne

sucralose
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 56038-13-2
formula: C12H19Cl3O8
inchi: InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1
iupac name: (2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol @en
pubchem: 71485
inchikey: BAQAVOSOZGMPRM-QBMZZYIRSA-N
broader: CHEMONTID_0002204
in scheme: Conceptschema Chemische Stoffen
notation: suclse

bis(2-ethylhexyl)adipaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 103-23-1
cas number: 39393-67-4
cas number: 63637-48-9
cas number: 70147-21-6
formula: C22H42O4
inchi: InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
iupac name: Bis(2-ethylhexyl) hexanedioate @en
pubchem: 7641
smiles: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
inchikey: SAOKZLXYCUGLFA-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: BISADPT

N-cyclohexylacetamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1124-53-4
formula: C8H15NO
inchi: InChI=1S/C8H15NO/c1-7(10)9-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,9,10)
iupac name: N-Cyclohexylacetamide @en
pubchem: 14301
smiles: CC(=O)NC1CCCCC1
inchikey: WRAGCBBWIYQMRF-UHFFFAOYSA-N
alternative label: n-cyclohexylacetamide
broader: CHEMONTID_0003922
in scheme: Conceptschema Chemische Stoffen
notation: NccC6yacAd

norcocaine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 61585-22-6
cas number: 18717-72-1
formula: C16H20ClNO4
inchi: InChI=1S/C16H19NO4.ClH/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10;/h2-6,11-14,17H,7-9H2,1H3;1H/t11-,12+,13-,14+;/m0./s1
iupac name: methyl (1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride @en
pubchem: 3046136
smiles: COC(=O)C1C2CCC(N2)CC1OC(=O)C3=CC=CC=C3.Cl
inchikey: RIPPXFWUYXTRNJ-BHARVXRSSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: norccine

2,3',4',5-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 32598-11-1
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H
iupac name: 1,2-dichloro-4-(2,5-dichlorophenyl)benzene @en
pubchem: 36186
smiles: C1=CC(=C(C=C1C2=C(C=CC(=C2)Cl)Cl)Cl)Cl
inchikey: KENZYIHFBRWMOD-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB70

1-methyl-2-propylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1074-17-5
formula: C10H14
inchi: InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
iupac name: 1-Methyl-2-propylbenzene @en
pubchem: 14091
smiles: CCCC1=CC=CC=C1C
inchikey: YQZBFMJOASEONC-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 1C1y2C3yBen

neodymium 147
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14269-74-0
formula: Nd
inchi: InChI=1S/Nd/i1+3
iupac name: neodymium-147 @en
pubchem: 114848
smiles: [Nd]
inchikey: QEFYFXOXNSNQGX-AKLPVKDBSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Nd147

nitropyrrolidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 930-55-2
cas number: 68374-63-0
cas number: 35884-45-8
formula: C4H8N2O
inchi: InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
iupac name: 1-Nitrosopyrrolidine @en
pubchem: 13591
smiles: C1CCN(C1)N=O
inchikey: WNYADZVDBIBLJJ-UHFFFAOYSA-N
broader: CHEMONTID_0000218
in scheme: Conceptschema Chemische Stoffen
notation: NOprldne

2-oxepanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 67184-99-0
cas number: 80137-66-2
cas number: 24980-41-4
cas number: 502-44-3
cas number: 52004-64-5
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
iupac name: oxepan-2-one @en
pubchem: 10401
smiles: C1CCC(=O)OCC1
inchikey: PAPBSGBWRJIAAV-UHFFFAOYSA-N
broader: CHEMONTID_0000050
in scheme: Conceptschema Chemische Stoffen
notation: 2Oxepnn

halofenozide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 112226-61-6
formula: C18H19ClN2O2
inchi: InChI=1S/C18H19ClN2O2/c1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13/h4-12H,1-3H3,(H,20,22)
iupac name: N'-(benzoyl)-N'-tert-butyl-4-chlorobenzohydrazide @en
pubchem: 114994
inchikey: CNKHSLKYRMDDNQ-UHFFFAOYSA-N
broader: CHEMONTID_0003100
in scheme: Conceptschema Chemische Stoffen
notation: halfnzde

arachidezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 22302-43-8
cas number: 506-30-9
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
iupac name: Icosanoic acid @en
pubchem: 10467
smiles: CCCCCCCCCCCCCCCCCCCC(=O)O
inchikey: VKOBVWXKNCXXDE-UHFFFAOYSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: arcdzr

fluazifop-P-butyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 79241-46-6
formula: C19H20F3NO4
inchi: InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
iupac name: butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
pubchem: 3033674
inchikey: VAIZTNZGPYBOGF-CYBMUJFWSA-N
alternative label: fluazifop-p-butyl
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: fluazfPC4y

flazasulfuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 104040-78-0
formula: C13H12F3N5O5S
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]sulfonylurea @en
pubchem: 93539
inchikey: HWATZEJQIXKWQS-UHFFFAOYSA-N
broader: CHEMONTID_0001861
in scheme: Conceptschema Chemische Stoffen
notation: flazsfrn

2,5,8,11-tetraoxadodecaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 70992-85-7
cas number: 112-49-2
formula: C8H18O4
inchi: InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
iupac name: 1,2-Bis(2-methoxyethoxy)ethane @en
pubchem: 8189
smiles: COCCOCCOCCOC
inchikey: YFNKIDBQEZZDLK-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 25811T4OaC12

ampicilline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 50584-05-9
cas number: 69-53-4
cas number: 37234-64-3
cas number: 98520-55-9
cas number: 800-79-3
cas number: 96707-69-6
cas number: 8056-87-9
cas number: 33604-21-6
cas number: 47355-94-2
formula: C16H19N3O4S
inchi: InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
iupac name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid @en
pubchem: 6249
inchikey: AVKUERGKIZMTKX-NJBDSQKTSA-N
broader: CHEMONTID_0000174
in scheme: Conceptschema Chemische Stoffen
notation: ampclne

dibutylisoftalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3126-90-7
formula: C16H22O4
inchi: InChI=1S/C16H22O4/c1-3-5-10-19-15(17)13-8-7-9-14(12-13)16(18)20-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
iupac name: dibutyl benzene-1,3-dicarboxylate @en
pubchem: 18405
smiles: CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCC
inchikey: GOPWOUQJIMLDDM-UHFFFAOYSA-N
broader: CHEMONTID_0004010
in scheme: Conceptschema Chemische Stoffen
notation: DC4yiFt

perfluor-4-methoxybutaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 863090-89-5
formula: C5HF9O3
inchi: InChI=1S/C5HF9O3/c6-2(7,1(15)16)3(8,9)4(10,11)17-5(12,13)14/h(H,15,16)
iupac name: 2,2,3,3,4,4-hexafluoro-4-(trifluoromethoxy)butanoic acid @en
pubchem: 12498036
smiles: C(=O)(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)O
inchikey: CZTBTZZANBJSLY-UHFFFAOYSA-N
broader: CHEMONTID_0000483
in scheme: Conceptschema Chemische Stoffen
notation: PFMOBA

chloordecone
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 143-50-0
formula: C10Cl10O
inchi: InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20
iupac name: 1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one @en
pubchem: 299
inchikey: LHHGDZSESBACKH-UHFFFAOYSA-N
alternative label: chloordecon
broader: CHEMONTID_0001549
in scheme: Conceptschema Chemische Stoffen
notation: cldcne

octogeen (hmx)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 141615-54-5
cas number: 121631-13-8
cas number: 5222-46-8
cas number: 66745-90-2
cas number: 97956-01-9
cas number: 2691-41-0
cas number: 66038-26-4
formula: C4H8N8O8
inchi: InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2
iupac name: 1,3,5,7-tetranitro-1,3,5,7-tetrazocane @en
pubchem: 17596
smiles: C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchikey: UZGLIIJVICEWHF-UHFFFAOYSA-N
alternative label: octogeen (HMX)
broader: CHEMONTID_0001152
in scheme: Conceptschema Chemische Stoffen
notation: octgn

4-dimethylaminosulfotoluidide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 66840-71-9
formula: C9H14N2O2S
inchi: InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3
iupac name: 1-(dimethylsulfamoylamino)-4-methylbenzene @en
pubchem: 738302
smiles: CC1=CC=C(C=C1)NS(=O)(=O)N(C)C
inchikey: UDCDOJQOXWCCSD-UHFFFAOYSA-N
broader: CHEMONTID_0000038
in scheme: Conceptschema Chemische Stoffen
notation: DMST

N-methylaceetamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1320-47-4
cas number: 79-16-3
formula: C3H7NO
inchi: InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
iupac name: N-Methylacetamide @en
pubchem: 6582
smiles: CC(=O)NC
inchikey: OHLUUHNLEMFGTQ-UHFFFAOYSA-N
alternative label: n-methylaceetamide
broader: CHEMONTID_0002484
in scheme: Conceptschema Chemische Stoffen
notation: NC1yacAd

tri-o-cresylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1336-40-9
cas number: 78-30-8
formula: C21H21O4P
inchi: InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
iupac name: ['hydroxy-tris(2-methylphenoxy)phosphanium', 'tris(2-methylphenyl) phosphate'] @en
pubchem: 6527
inchikey: YSMRWXYRXBRSND-UHFFFAOYSA-N
broader: CHEMONTID_0004619
in scheme: Conceptschema Chemische Stoffen
notation: TocsPO4

hexabroomdifenylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 36483-60-0
formula: C12H4Br6O
inchi: InChI=1S/C12H4Br6O/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4H
iupac name: 1,2,5-tribromo-3-(2,4,6-tribromophenoxy)benzene @en
pubchem: 37454
inchikey: OJMHGSMSQZEBFH-UHFFFAOYSA-N
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen

amidosulfuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 120923-37-7
formula: C9H15N5O7S2
inchi: InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-(methyl-methylsulfonylsulfamoyl)urea @en
pubchem: 91777
inchikey: CTTHWASMBLQOFR-UHFFFAOYSA-N
broader: CHEMONTID_0000128
in scheme: Conceptschema Chemische Stoffen
notation: amdsfrn

ergocalciferol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 50-14-6
formula: C28H44O
inchi: InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1
iupac name: ['(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol', '(1S)-3-[2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol'] @en
pubchem: 6536972
inchikey: MECHNRXZTMCUDQ-VLOQVYPSSA-N
broader: CHEMONTID_0001460
in scheme: Conceptschema Chemische Stoffen
notation: ergccfrl

jodixanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 92339-11-2
formula: C35H44I6N6O15
iupac name: 5-[acetyl-[3-[acetyl-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodophenyl]amino]-2-hydroxypropyl]amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide @en
pubchem: 3724
inchikey: NBQNWMBBSKPBAY-UHFFFAOYSA-N
broader: CHEMONTID_0004361
in scheme: Conceptschema Chemische Stoffen
notation: jodixnl

alfa-terpineol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7785-53-7
cas number: 98-55-5
formula: C10H18O
inchi: InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1
iupac name: 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-ol @en
pubchem: 442501
smiles: CC1=CCC(CC1)C(C)(C)O
inchikey: WUOACPNHFRMFPN-VIFPVBQESA-N
broader: CHEMONTID_0001401
in scheme: Conceptschema Chemische Stoffen
notation: aterpnol

6,10,14-trimethyl-2-pentadecanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 16825-16-4
cas number: 502-69-2
cas number: 13955-74-3
formula: C18H36O
inchi: InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
iupac name: 6,10,14-Trimethylpentadecan-2-one @en
pubchem: 10408
smiles: CC(C)CCCC(C)CCCC(C)CCCC(=O)C
inchikey: WHWDWIHXSPCOKZ-UHFFFAOYSA-N
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: 61014TC1y2C1

3-methylpyridine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 61204-14-6
cas number: 108-99-6
cas number: 82005-08-1
formula: C6H7N
inchi: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
iupac name: 3-Methylpyridine @en
pubchem: 7970
smiles: CC1=CN=CC=C1
inchikey: ITQTTZVARXURQS-UHFFFAOYSA-N
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yprdne

2,3',4,4',6-pentabroomdifenylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 86029-64-3
formula: C12H5Br5
inchi: InChI=1S/C12H5Br5/c13-7-4-10(16)12(11(17)5-7)6-1-2-8(14)9(15)3-6/h1-5H
iupac name: 1,3,5-tribromo-2-(3,4-dibromophenyl)benzene @en
pubchem: 154485
inchikey: PBFOWFPZALCTIY-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: PBDE119

8:2 fluortelomeerfosfaat diester (8:2 dipap)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 678-41-1
formula: C20H9F34O4P
inchi: InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)
iupac name: Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate @en
pubchem: 3022253
inchikey: AFWOYEYXUDHGHF-UHFFFAOYSA-N
alternative label: bisperfluordecylwaterstoffosfaat (8:2 diPAP)
alternative label: 8:2 fluortelomeerfosfaat diester
alternative label: bisperfluordecylwaterstoffosfaat (8:2 dipap)
broader: CHEMONTID_0003459
in scheme: Conceptschema Chemische Stoffen
notation: 8:2 diPAP
notation: bisPFC10yPO4

hexanal
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 66-25-1
formula: C6H12O
inchi: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
iupac name: Hexanal @en
pubchem: 6184
smiles: CCCCCC=O
inchikey: JARKCYVAAOWBJS-UHFFFAOYSA-N
broader: CHEMONTID_0002229
in scheme: Conceptschema Chemische Stoffen
notation: C6al

trichloorethyleen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
comment: VLAR II Art. 5.4.3.1.4
cas number: 52037-46-4
cas number: 79-01-6
formula: C2HCl3
inchi: InChI=1S/C2HCl3/c3-1-2(4)5/h1H
iupac name: 1,1,2-trichloroethene @en
pubchem: 6575
smiles: C(=C(Cl)Cl)Cl
inchikey: XSTXAVWGXDQKEL-UHFFFAOYSA-N
is referenced by: LUC IV 002
is referenced by: LUC IV 011
is referenced by: LUC IV 000
alternative label: trichlooretheen
alternative label: trichloorethyleen (tri)
alternative label: trichlooretheen (tri)
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: TClC2e

streptomycine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 57-92-1
formula: C21H39N7O12
inchi: InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
iupac name: 2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine @en
pubchem: 19649
inchikey: UCSJYZPVAKXKNQ-HZYVHMACSA-N
broader: CHEMONTID_0001675
in scheme: Conceptschema Chemische Stoffen
notation: streptmcne

kasugamycine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6980-18-3
cas number: 19408-46-9
formula: C14H26ClN3O9
inchi: InChI=1S/C14H25N3O9.ClH/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;/m1./s1
iupac name: 2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid;hydrochloride @en
pubchem: 88045
inchikey: ZDRBJJNXJOSCLR-YZKQBBCCSA-N
broader: CHEMONTID_0001675
in scheme: Conceptschema Chemische Stoffen
notation: kasgmcne

4,4’-methylenebis(2-chlooraniline)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 78642-65-6
cas number: 126699-69-2
cas number: 101-14-4
cas number: 51065-07-7
cas number: 29371-14-0
formula: C13H12Cl2N2
inchi: InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2
iupac name: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline @en
pubchem: 7543
smiles: C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N
inchikey: IBOFVQJTBBUKMU-UHFFFAOYSA-N
alternative label: 4,4'-methyleenbis(2-chlooraniline)
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 44C1yeb2ClAn

glyfosaat-isopropylammonium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 96639-11-1
cas number: 96638-41-4
cas number: 38641-94-0
cas number: 39226-77-2
cas number: 258263-91-1
cas number: 106805-61-2
formula: C6H17N2O5P
inchi: InChI=1S/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3
iupac name: 2-(phosphonomethylamino)acetic acid; propan-2-amine @en
pubchem: 38078
smiles: CC(C)N.C(C(=O)O)NCP(=O)(O)O
inchikey: ZEKANFGSDXODPD-UHFFFAOYSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: glyfsiC3yNH4

broometheen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 593-60-2
cas number: 25951-54-6
formula: C2H3Br
inchi: InChI=1S/C2H3Br/c1-2-3/h2H,1H2
iupac name: Bromoethene @en
pubchem: 11641
smiles: C=CBr
inchikey: INLLPKCGLOXCIV-UHFFFAOYSA-N
broader: CHEMONTID_0002864
in scheme: Conceptschema Chemische Stoffen
notation: BrC2e

camfor
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 8022-77-3
cas number: 8013-55-6
cas number: 21368-68-3
cas number: 76-22-2
cas number: 48113-22-0
cas number: 68546-28-1
formula: C10H16O
inchi: InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
iupac name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one @en
pubchem: 2537
smiles: CC1(C2CCC1(C(=O)C2)C)C
inchikey: DSSYKIVIOFKYAU-UHFFFAOYSA-N
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
notation: camfr

3-chloor-4-methoxyaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 5345-54-0
formula: C7H8ClNO
inchi: InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
iupac name: 3-Chloro-4-methoxyaniline @en
pubchem: 21441
smiles: COC1=C(C=C(C=C1)N)Cl
inchikey: XQVCBOLNTSUFGD-UHFFFAOYSA-N
broader: CHEMONTID_0004670
in scheme: Conceptschema Chemische Stoffen
notation: 3Cl4C1oxAn

glyfosaat-trimesium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 81591-81-3
cas number: 87090-28-6
formula: C6H16NO5PS
inchi: InChI=1S/C3H8NO5P.C3H9S/c5-3(6)1-4-2-10(7,8)9;1-4(2)3/h4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;+1/p-1
iupac name: 2-(phosphonomethylamino)acetate; trimethylsulfanium @en
pubchem: 105048
smiles: C[S+](C)C.C(C(=O)[O-])NCP(=O)(O)O
inchikey: RUCAXVJJQQJZGU-UHFFFAOYSA-M
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: glyfsTmsm

4-chloor-3-methylfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 59-50-7
formula: C7H7ClO
inchi: InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
iupac name: 4-Chloro-3-methylphenol @en
pubchem: 1732
smiles: CC1=C(C=CC(=C1)O)Cl
inchikey: CFKMVGJGLGKFKI-UHFFFAOYSA-N
broader: CHEMONTID_0001273
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl3C1yFol

indeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-13-6
cas number: 71551-80-9
cas number: 9003-64-9
formula: C9H8
inchi: InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
iupac name: 1H-Indene @en
pubchem: 7219
smiles: C1C=CC2=CC=CC=C21
inchikey: YBYIRNPNPLQARY-UHFFFAOYSA-N
broader: CHEMONTID_0000021
in scheme: Conceptschema Chemische Stoffen
notation: inde

2-chlooracetofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 532-27-4
formula: C8H7ClO
inchi: InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
iupac name: 2-Chloro-1-phenylethanone @en
pubchem: 10757
smiles: C1=CC=C(C=C1)C(=O)CCl
inchikey: IMACFCSSMIZSPP-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: 2Clactfnn

di-isodecylftalaat (mix van isomeren)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 105009-98-1
cas number: 148384-02-5
cas number: 68515-49-1
cas number: 119394-45-5
cas number: 26761-40-0
cas number: 89-16-7
cas number: 1341-39-5
formula: C28H46O4
inchi: InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
iupac name: bis(8-methylnonyl) benzene-1,2-dicarboxylate @en
pubchem: 33599
inchikey: ZVFDTKUVRCTHQE-UHFFFAOYSA-N
alternative label: C10-rijk di-C9-11-vertakt alkylftalaat
alternative label: diisodecylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: C10D911akFt
notation: DiC10yFt

niacyne
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 123574-58-3
cas number: 59-67-6
formula: C6H5NO2
inchi: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
iupac name: Pyridine-3-carboxylic acid @en
pubchem: 938
smiles: C1=CC(=CN=C1)C(=O)O
inchikey: PVNIIMVLHYAWGP-UHFFFAOYSA-N
broader: CHEMONTID_0002414
in scheme: Conceptschema Chemische Stoffen
notation: niacne

germanium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 129827-75-4
cas number: 7440-56-4
formula: Ge
inchi: InChI=1S/Ge
iupac name: GERMANIUM @en
pubchem: 6326954
smiles: [Ge]
inchikey: GNPVGFCGXDBREM-UHFFFAOYSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Ge

diethyldithiocarbamaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 149099-81-0
cas number: 19622-06-1
cas number: 148-18-5
cas number: 143189-63-3
formula: C5H10NNaS2
inchi: InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
iupac name: sodium diethylaminomethanedithioate @en
pubchem: 8990
smiles: CCN(CC)C(=S)[S-].[Na+]
inchikey: IOEJYZSZYUROLN-UHFFFAOYSA-M
broader: CHEMONTID_0004099
in scheme: Conceptschema Chemische Stoffen
notation: DEDC

maleïnezuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6915-18-0
cas number: 110-17-8
cas number: 623158-97-4
cas number: 110-16-7
formula: C4H4O4
inchi: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
iupac name: But-2-enedioic acid @en
pubchem: 444972
smiles: C(=CC(=O)O)C(=O)O
inchikey: VZCYOOQTPOCHFL-OWOJBTEDSA-N
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: malinzr

emamectin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 119791-41-2
formula: C97H146O26
inchi: InChI=1S/C49H74O13.C48H72O13/c1-11-26(3)44-29(6)18-19-48(62-44)24-36-22-35(61-48)17-16-28(5)43(27(4)14-13-15-34-25-55-46-41(50)30(7)20-37(47(52)58-36)49(34,46)53)59-39-21-33(12-2)45(32(9)57-39)60-40-23-38(54-10)42(51)31(8)56-40;1-11-32-20-38(56-31(9)44(32)59-39-22-37(53-10)41(50)30(8)55-39)58-43-26(4)13-12-14-33-24-54-45-40(49)29(7)19-36(48(33,45)52)46(51)57-35-21-34(16-15-27(43)5)60-47(23-35)18-17-28(6)42(61-47)25(2)3/h13-16,18-20,26-27,29,31-33,35-46,50-51,53H,11-12,17,21-25H2,1-10H3;12-15,17-19,25-26,28,30-32,34-45,49-50,52H,11,16,20-24H2,1-10H3/b14-13+,28-16+,34-15+;13-12+,27-15+,33-14+/t26-,27-,29-,31-,32-,33-,35+,36-,37-,38-,39-,40-,41+,42-,43-,44+,45-,46+,48+,49+;26-,28-,30-,31-,32-,34+,35-,36-,37-,38-,39-,40+,41-,42+,43-,44-,45+,47+,48+/m00/s1
iupac name: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-12'-[(2R,4S,5R,6S)-4-ethyl-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-21',24'-dihydroxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-12'-[(2R,4S,5R,6S)-4-ethyl-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one @en
pubchem: 6440017
inchikey: WQYWHGOKYSMVFW-ZOKDRQBOSA-N
broader: CHEMONTID_0000147
in scheme: Conceptschema Chemische Stoffen
notation: emmtn

1,2-dichloor-1,1,3,3,3-pentafluorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 431-86-7
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-1(2(5,6)7)3(8,9)10/h1H
iupac name: 1,2-DICHLORO-1,1,3,3,3-PENTAFLUOROPROPANE @en
pubchem: 61115
smiles: C(C(F)(F)F)(C(F)(F)Cl)Cl
inchikey: XAHBEACGJQDUPF-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225da

meclocycline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2013-58-3
formula: C22H21ClN2O8
inchi: InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26-28,32-33H,1,24H2,2-3H3/b21-13+/t10-,14-,15+,17+,22+/m1/s1
iupac name: (2E,4S,4aR,5S,5aR,12aS)-2-(amino-hydroxymethylidene)-7-chloro-4-dimethylamino-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione @en
pubchem: 5359674
inchikey: SEPIRJBAIBYOSG-IGVRTFPHSA-N
broader: CHEMONTID_0000181
in scheme: Conceptschema Chemische Stoffen
notation: mecccne

5-nitro-ortho-anisidine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 99-59-2
cas number: 52756-54-4
formula: C7H8N2O3
inchi: InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3
iupac name: 2-Methoxy-5-nitroaniline @en
pubchem: 7447
smiles: COC1=C(C=C(C=C1)[N+](=O)[O-])N
inchikey: NIPDVSLAMPAWTP-UHFFFAOYSA-N
broader: CHEMONTID_0004671
in scheme: Conceptschema Chemische Stoffen
notation: 5NO2oansdne

orbencarb
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 34622-58-7
formula: C12H16ClNOS
inchi: InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3
iupac name: S-[(2-chlorophenyl)methyl] diethylaminomethanethioate @en
pubchem: 36867
smiles: CCN(CC)C(=O)SCC1=CC=CC=C1Cl
inchikey: LLLFASISUZUJEQ-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: orbcb

4-chloor-4'-hydroxybenzofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 42019-78-3
formula: C13H9ClO2
inchi: InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
iupac name: (4-chlorophenyl)-(4-hydroxyphenyl)methanone @en
pubchem: 123504
smiles: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O
inchikey: RUETVLNXAGWCDS-UHFFFAOYSA-N
broader: CHEMONTID_0000120
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl4HOxbzfnn

fentanyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 437-38-7
cas number: 80832-90-2
formula: C22H28N2O
inchi: InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
iupac name: N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide @en
pubchem: 3345
inchikey: PJMPHNIQZUBGLI-UHFFFAOYSA-N
broader: CHEMONTID_0000372
in scheme: Conceptschema Chemische Stoffen
notation: fentnl

methyldifenylfosfineoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2129-89-7
formula: C13H13OP
inchi: InChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
iupac name: (methyl-phenylphosphoryl)benzene @en
pubchem: 75041
smiles: CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
inchikey: PEGCITODQASXKH-UHFFFAOYSA-N
broader: CHEMONTID_0001814
in scheme: Conceptschema Chemische Stoffen
notation: C1yDFyPO

2-(2-(2-butoxyethoxy)ethoxy)ethanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 143-22-6
formula: C10H22O4
inchi: InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3
iupac name: 2-[2-(2-Butoxyethoxy)ethoxy]ethanol @en
pubchem: 8923
smiles: CCCCOCCOCCOCCO
inchikey: COBPKKZHLDDMTB-UHFFFAOYSA-N
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen
notation: 222C4oxC2oxC

cyanazine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 21725-46-2
cas number: 11096-88-1
cas number: 12679-53-7
formula: C9H13ClN6
inchi: InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)
iupac name: 2-[(4-chloro-6-ethylamino-1,3,5-triazin-2-yl)amino]-2-methylpropanenitrile @en
pubchem: 30773
smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N
inchikey: MZZBPDKVEFVLFF-UHFFFAOYSA-N
broader: CHEMONTID_0001693
in scheme: Conceptschema Chemische Stoffen
notation: CNazne

trietazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1912-26-1
formula: C9H16ClN5
inchi: InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)
iupac name: 6-Chloro-N,N,N'-triethyl-1,3,5-triazine-2,4-diamine @en
pubchem: 15951
smiles: CCNC1=NC(=NC(=N1)Cl)N(CC)CC
inchikey: HFBWPRKWDIRYNX-UHFFFAOYSA-N
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
notation: Tetzne

2-acetylaminofluoreen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2508-21-6
cas number: 53-96-3
formula: C15H13NO
inchi: InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)
iupac name: N-(9H-Fluoren-2-yl)acetamide @en
pubchem: 5897
smiles: CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2
inchikey: CZIHNRWJTSTCEX-UHFFFAOYSA-N
broader: CHEMONTID_0000020
in scheme: Conceptschema Chemische Stoffen
notation: 2actAoFle

fenitrothion
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 12764-87-3
cas number: 54182-70-6
cas number: 122-14-5
cas number: 94650-98-3
formula: C9H12NO5PS
inchi: InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
iupac name: dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidenephosphorane @en
pubchem: 31200
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-]
inchikey: ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: feNO2ton

oxyfluorfen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 42874-03-3
formula: C15H11ClF3NO4
iupac name: 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethoxy-1-nitrobenzene @en
pubchem: 39327
inchikey: OQMBBFQZGJFLBU-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: OxFfn

tetraacetylethyleendiamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 10543-57-4
formula: C10H16N2O4
inchi: InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3
iupac name: N-acetyl-N-[2-(diacetylamino)ethyl]acetamide @en
pubchem: 66347
smiles: CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C
inchikey: BGRWYDHXPHLNKA-UHFFFAOYSA-N
broader: CHEMONTID_0001658
in scheme: Conceptschema Chemische Stoffen
notation: TAED

1-methyl-2-pyrrolidinon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 53774-35-9
cas number: 57762-46-6
cas number: 51013-18-4
cas number: 30207-69-3
cas number: 872-50-4
cas number: 26138-58-9
formula: C5H9NO
inchi: InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
iupac name: 1-methylpyrrolidin-2-one @en
pubchem: 13387
smiles: CN1CCCC1=O
inchikey: SECXISVLQFMRJM-UHFFFAOYSA-N
alternative label: N-methylpyrrolidon
alternative label: n-methylpyrrolidon
broader: CHEMONTID_0003449
in scheme: Conceptschema Chemische Stoffen
notation: 1C1y2prldnn

3,5-dinitrotolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 618-85-9
formula: C7H6N2O4
inchi: InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
iupac name: 1-Methyl-3,5-dinitrobenzene @en
pubchem: 12067
smiles: CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
inchikey: RUIFULUFLANOCI-UHFFFAOYSA-N
broader: CHEMONTID_0003969
in scheme: Conceptschema Chemische Stoffen
notation: 35DNO2Tol

2-tert-butyl-4-methoxyfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 921-00-6
cas number: 1341-82-8
cas number: 121-00-6
cas number: 25013-16-5
formula: C11H16O2
inchi: InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
iupac name: 2-tert-Butyl-4-methoxyphenol @en
pubchem: 8456
smiles: CC(C)(C)C1=C(C=CC(=C1)OC)O
inchikey: MRBKEAMVRSLQPH-UHFFFAOYSA-N
broader: CHEMONTID_0000190
in scheme: Conceptschema Chemische Stoffen
notation: 2ttC4y4C1oxF

ijzer(iii)oxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 12259-21-1
cas number: 1309-37-1
formula: Fe2H2O4
inchi: InChI=1S/2Fe.H2O.3O/h;;1H2;;;/q2*+3;;3*-2
iupac name: iron(+3) cation; oxygen(-2) anion; hydrate @en
pubchem: 61560
smiles: O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]
inchikey: QGPQTSCLUYMZHL-UHFFFAOYSA-N
alternative label: ijzer(III)oxide
broader: CHEMONTID_0001270
in scheme: Conceptschema Chemische Stoffen
notation: FeIIIO

renium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-15-5
cas number: 22541-28-2
formula: Re
inchi: InChI=1S/Re
iupac name: RHENIUM @en
pubchem: 23947
smiles: [Re]
inchikey: WUAPFZMCVAUBPE-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Re

trimethylhydrazine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1741-01-1
formula: C3H10N2
inchi: InChI=1S/C3H10N2/c1-4-5(2)3/h4H,1-3H3
iupac name: 1,1,2-trimethylhydrazine @en
pubchem: 43369
smiles: CNN(C)C
inchikey: NIIPNAJXERMYOG-UHFFFAOYSA-N
broader: CHEMONTID_0004511
in scheme: Conceptschema Chemische Stoffen
notation: TC1yhdzne

para-xyleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 4.4.2 'xylenen'
cas number: 68411-39-2
cas number: 106-42-3
cas number: 68650-36-2
formula: C8H10
inchi: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
iupac name: 1,4-Dimethylbenzene @en
pubchem: 7809
smiles: CC1=CC=C(C=C1)C
inchikey: URLKBWYHVLBVBO-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 001
is referenced by: LUC IV 011
alternative label: 1,4-Dimethylbenzeen
alternative label: 1,4-xyleen
alternative label: p-xyleen
broader: CHEMONTID_0004211
in scheme: Conceptschema Chemische Stoffen
notation: 14xyln

fenoprop
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 93-72-1
cas number: 32795-97-4
cas number: 7361-37-7
formula: C9H7Cl3O3
inchi: InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)
iupac name: 2-(2,4,5-trichlorophenoxy)propanoic acid @en
pubchem: 7158
smiles: CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl
inchikey: ZLSWBLPERHFHIS-UHFFFAOYSA-N
alternative label: 2,4,5-trichloorfenoxypropionzuur
broader: CHEMONTID_0004676
in scheme: Conceptschema Chemische Stoffen
notation: 245TP

3-methyl-5-fenyl-1h-pyrazol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3347-62-4
formula: C10H10N2
inchi: InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
iupac name: 3-methyl-5-phenyl-2H-pyrazole @en
pubchem: 18774
smiles: CC1=CC(=NN1)C2=CC=CC=C2
inchikey: QHRSESMSOJZMCO-UHFFFAOYSA-N
alternative label: 3-methyl-5-fenyl-1H-pyrazol
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: 3C1y5Fy1Hprz

fullereen c70
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 115383-22-7
formula: C70
iupac name: (C70-D5h(6))[5,6]fullerene @en
pubchem: 16131935
inchikey: ATLMFJTZZPOKLC-UHFFFAOYSA-N
alternative label: fullereen C70
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
notation: fullrnC70

lactofen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 77501-63-4
cas number: 143956-87-0
cas number: 83513-60-4
formula: C19H15ClF3NO7
iupac name: (1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate @en
pubchem: 62276
inchikey: CONWAEURSVPLRM-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: lactfn

johexol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 66108-95-0
formula: C19H26I3N3O9
inchi: InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
iupac name: 5-(acetyl-(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide @en
pubchem: 3730
inchikey: NTHXOOBQLCIOLC-UHFFFAOYSA-N
broader: CHEMONTID_0004718
in scheme: Conceptschema Chemische Stoffen
notation: johxl

broomfenoxim
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 13181-17-4
formula: C13H7Br2N3O6
inchi: InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,16H
pubchem: 5360414
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ONC=C2C=C(C(=O)C(=C2)Br)Br
inchikey: VTQWKUZUPOTXEH-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: Brfnxm

clenbuterol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 37148-27-9
cas number: 50306-03-1
cas number: 50499-60-0
formula: C12H18Cl2N2O
inchi: InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
iupac name: 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol @en
pubchem: 2783
smiles: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
inchikey: STJMRWALKKWQGH-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: clenbtrl

chroom, driewaardig
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 16065-83-1
formula: Cr+3
inchi: InChI=1S/Cr/q+3
iupac name: chromium(+3) cation @en
pubchem: 27668
smiles: [Cr+3]
inchikey: BFGKITSFLPAWGI-UHFFFAOYSA-N
alternative label: chroom (driewaardig)
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: CrIII

prothioconazol-desthio
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 120983-64-4
formula: C14H15Cl2N3O
inchi: InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2
iupac name: 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol @en
pubchem: 119361
smiles: C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl
inchikey: HHUQPWODPBDTLI-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: protocnzdto

diniconazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 83657-24-3
cas number: 101179-53-7
cas number: 76714-88-0
cas number: 70217-36-6
formula: C15H17Cl2N3O
inchi: InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+
iupac name: ['1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol', '(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol'] @en
pubchem: 6436605
inchikey: FBOUIAKEJMZPQG-AWNIVKPZSA-N
broader: CHEMONTID_0002754
in scheme: Conceptschema Chemische Stoffen
notation: Dncnzl

joodpropynylbutylcarbamaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 161849-41-8
cas number: 55406-53-6
cas number: 104732-42-5
cas number: 84826-91-5
cas number: 85045-09-6
formula: C8H12INO2
inchi: InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)
iupac name: 3-iodoprop-2-ynyl N-butylcarbamate @en
pubchem: 62097
smiles: CCCCNC(=O)OCC#CI
inchikey: WYVVKGNFXHOCQV-UHFFFAOYSA-N
broader: CHEMONTID_0002285
in scheme: Conceptschema Chemische Stoffen
notation: IppnC4ycbmt

2-fenyl-1h-benzimidazol-5-sulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 27503-81-7
cas number: 165659-93-8
formula: C13H10N2O3S
inchi: InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)
iupac name: 2-phenyl-3H-benzimidazole-5-sulfonic acid @en
pubchem: 33919
inchikey: UVCJGUGAGLDPAA-UHFFFAOYSA-N
alternative label: 2-fenyl-1H-benzimidazol-5-sulfonzuur
broader: CHEMONTID_0000330
in scheme: Conceptschema Chemische Stoffen
notation: 2Fy1Hbzmdz5s

natriumbromaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 38869-76-0
cas number: 7789-38-0
cas number: 38869-75-9
formula: BrNaO3
inchi: InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
iupac name: SODIUM BROMATE @en
pubchem: 24607
smiles: [O-]Br(=O)=O.[Na+]
inchikey: XUXNAKZDHHEHPC-UHFFFAOYSA-M
broader: CHEMONTID_0000631
in scheme: Conceptschema Chemische Stoffen
notation: NaBrO3

cesium 137
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 10045-97-3
formula: Cs
inchi: InChI=1S/Cs/i1+4
iupac name: cesium-137 @en
pubchem: 5486527
smiles: [Cs]
inchikey: TVFDJXOCXUVLDH-RNFDNDRNSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Cs137

paclitaxel
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 33069-62-4
formula: C47H51NO14
inchi: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1
iupac name: [(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate @en
pubchem: 441276
inchikey: RCINICONZNJXQF-VAZQATRQSA-N
broader: CHEMONTID_0000676
in scheme: Conceptschema Chemische Stoffen
notation: pactxl

octabroomdifenylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 32536-52-0
formula: C12H2Br8O
inchi: InChI=1S/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H
iupac name: 1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene @en
pubchem: 6537506
inchikey: ORYGKUIDIMIRNN-UHFFFAOYSA-N
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen

2-chloorfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 95-57-8
cas number: 25167-80-0
formula: C6H5ClO
inchi: InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
iupac name: 2-Chlorophenol @en
pubchem: 7245
smiles: C1=CC=C(C(=C1)O)Cl
inchikey: ISPYQTSUDJAMAB-UHFFFAOYSA-N
broader: CHEMONTID_0002771
in scheme: Conceptschema Chemische Stoffen
notation: 2ClFol

2-aminoethylpiperazine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 140-31-8
formula: C6H15N3
inchi: InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
iupac name: 2-piperazin-1-ylethanamine @en
pubchem: 8795
smiles: C1CN(CCN1)CCN
inchikey: IMUDHTPIFIBORV-UHFFFAOYSA-N
broader: CHEMONTID_0003357
in scheme: Conceptschema Chemische Stoffen
notation: 2AoC2ypprzne

chloorfacinon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3691-35-8
formula: C23H15ClO3
inchi: InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H
iupac name: 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione @en
pubchem: 19402
inchikey: UDHXJZHVNHGCEC-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: clfcnn

calciumcyanamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 156-62-7
formula: CH2CaN2+2
inchi: InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;/q;+2
iupac name: CALCIUM CYANAMIDE @en
pubchem: 21917771
smiles: C(#N)N.[Ca+2]
inchikey: STRTXDFFNXSZQB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: CacaAd

neptunium 238
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15766-25-3
formula: Np
inchi: InChI=1S/Np/i1+1
iupac name: neptunium-238 @en
pubchem: 167422
smiles: [Np]
inchikey: LFNLGNPSGWYGGD-OUBTZVSYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Np238

cis-15-tetracoseenzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 506-37-6
formula: C24H46O2
iupac name: (Z)-tetracos-15-enoic acid @en
pubchem: 5281120
smiles: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
inchikey: GWHCXVQVJPWHRF-KTKRTIGZSA-N
broader: CHEMONTID_0002950
in scheme: Conceptschema Chemische Stoffen
notation: c15C24ezr

pp'dichloordifenyldichlooretheen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 72-55-9
cas number: 12002-54-9
cas number: 68679-99-2
formula: C14H8Cl4
inchi: InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
iupac name: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene @en
pubchem: 3035
inchikey: UCNVFOCBFJOQAL-UHFFFAOYSA-N
alternative label: 4,4'-dichloordifenyldichlooretheen
alternative label: p,p’-dde
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 44DDE

bromocriptine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 25614-03-3
formula: C32H40BrN5O5
inchi: InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
iupac name: (6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide @en
pubchem: 31101
inchikey: OZVBMTJYIDMWIL-AYFBDAFISA-N
broader: CHEMONTID_0002746
in scheme: Conceptschema Chemische Stoffen
notation: Brctne

koper
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 133353-47-6
cas number: 72514-83-1
cas number: 65555-90-0
cas number: 133353-46-5
cas number: 195161-80-9
cas number: 7440-50-8
formula: Cu
inchi: InChI=1S/Cu
iupac name: Copper @en
pubchem: 23978
smiles: [Cu]
inchikey: RYGMFSIKBFXOCR-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Cu

cyhalothrin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68085-85-8
formula: C23H19ClF3NO3
iupac name: ['[cyano-[3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate'] @en
pubchem: 5281873
inchikey: ZXQYGBMAQZUVMI-UNOMPAQXSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: cyhltn

medetomidine hydrochloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 86347-15-1
cas number: 86347-14-0
formula: C13H17ClN2
inchi: InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H
iupac name: 4-[1-(2,3-dimethylphenyl)ethyl]-3H-imidazole hydrochloride @en
pubchem: 68601
smiles: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl
inchikey: VPNGEIHDPSLNMU-UHFFFAOYSA-N
broader: CHEMONTID_0004210
in scheme: Conceptschema Chemische Stoffen
notation: medtmdneHCl

fonofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 944-22-9
cas number: 66767-39-3
formula: C10H15OPS2
inchi: InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
iupac name: ethoxy-ethyl-phenylsulfanyl-sulfanylidenephosphorane @en
pubchem: 13676
smiles: CCOP(=S)(CC)SC1=CC=CC=C1
inchikey: KVGLBTYUCJYMND-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: fonfs

natriumchloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 8028-77-1
cas number: 32343-72-9
cas number: 11062-32-1
cas number: 14762-51-7
cas number: 14784-90-8
cas number: 7647-14-5
cas number: 11062-43-4
formula: ClNa
inchi: InChI=1S/ClH.Na/h1H;/q;+1/p-1
iupac name: Sodium chloride @en
pubchem: 5234
smiles: [Na+].[Cl-]
inchikey: FAPWRFPIFSIZLT-UHFFFAOYSA-M
broader: CHEMONTID_0000563
in scheme: Conceptschema Chemische Stoffen
notation: NaCl

1h,1h,2h,2h-perfluorooctaansulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 27619-97-2
formula: C8H5F13O3S
inchi: InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid @en
pubchem: 119688
inchikey: VIONGDJUYAYOPU-UHFFFAOYSA-N
alternative label: 6:2 fluortelomeersulfonzuur (6:2 fts)
alternative label: 2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 fts)
alternative label: 2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 FTS)
alternative label: 6:2 fluortelomeersulfonzuur
alternative label: 1H,1H,2H,2H-perfluorooctaansulfonzuur
broader: CHEMONTID_0001179
in scheme: Conceptschema Chemische Stoffen
notation: 6:2 FTS
notation: H4PFOS
notation: 2PFC6yC2a1sf

trimethyleenglycol (1,3-propyleenglycol)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 757125-93-2
cas number: 504-63-2
formula: C3H8O2
inchi: InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
iupac name: Propane-1,3-diol @en
pubchem: 10442
smiles: C(CO)CO
inchikey: YPFDHNVEDLHUCE-UHFFFAOYSA-N
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
notation: TC1yegcl

2,3',4,4',5-pentachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 31508-00-6
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
iupac name: 1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene @en
pubchem: 35823
inchikey: IUTPYMGCWINGEY-UHFFFAOYSA-N
is referenced by: LUC VI 002
is referenced by: CMA 3 I
alternative label: PCB 118
alternative label: 2,3',4,4',5-pentachloorbifenyl (pcb118)
alternative label: pcb 118
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB118

amcinonide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 51022-69-6
formula: C28H35FO7
inchi: InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19?,20-,21-,23+,24?,25?,27-,28+/m0/s1
iupac name: [2-[(2S,4R,8S,11S,12R)-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxospiro[5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,1'-cyclopentane]-8-yl]-2-oxoethyl] acetate @en
pubchem: 39858
inchikey: ILKJAFIWWBXGDU-WRRBAOOESA-N
broader: CHEMONTID_0001468
in scheme: Conceptschema Chemische Stoffen
notation: amcnnde

ifosfamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 84711-20-6
cas number: 66849-34-1
cas number: 36341-88-5
cas number: 66849-33-0
cas number: 3778-73-2
formula: C7H15Cl2N2O2P
iupac name: ['(2S)-N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', '(2R)-N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,3-bis(2-chloroethyl)-2-hydroxy-1,3,2-oxazaphosphinan-2-ium-2-amine'] @en
pubchem: 3690
smiles: C1CN(P(=O)(OC1)NCCCl)CCCl
inchikey: HOMGKSMUEGBAAB-UHFFFAOYSA-N
broader: CHEMONTID_0002858
in scheme: Conceptschema Chemische Stoffen
notation: iffAd

isobutanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
cas number: 68989-27-5
cas number: 78-83-1
formula: C4H10O
inchi: InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
iupac name: 2-Methylpropan-1-ol @en
pubchem: 6560
smiles: CC(C)CO
inchikey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
is referenced by: LUC IV 009
is referenced by: LUC IV 000
is referenced by: LUC IV 012
alternative label: 2-methylpropanol (iso-butanol)
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC3ol

2,4,6-trichloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 88-06-2
formula: C6H3Cl3O
inchi: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
iupac name: 2,4,6-Trichlorophenol @en
pubchem: 6914
smiles: C1=C(C=C(C(=C1Cl)O)Cl)Cl
inchikey: LINPIYWFGCPVIE-UHFFFAOYSA-N
broader: CHEMONTID_0002772
in scheme: Conceptschema Chemische Stoffen
notation: 246TClFol

crotamiton
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 483-63-6
formula: C13H17NO
inchi: InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+
iupac name: ['(E)-N-ethyl-N-(2-methylphenyl)but-2-enamide', 'N-ethyl-N-(2-methylphenyl)but-2-enamide'] @en
pubchem: 688020
smiles: CCN(C1=CC=CC=C1C)C(=O)C=CC
inchikey: DNTGGZPQPQTDQF-XBXARRHUSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: crotmtn

1-methoxyhexaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 4747-07-3
formula: C7H16O
inchi: InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3
iupac name: 1-Methoxyhexane @en
pubchem: 78484
smiles: CCCCCCOC
inchikey: ICBJCVRQDSQPGI-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 1C1oxC6a

titaantetrachloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 11130-18-0
cas number: 7550-45-0
cas number: 44246-22-2
cas number: 15612-71-2
cas number: 7705-07-9
formula: Cl4Ti
inchi: InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4
iupac name: ['titanium(+4) cation tetrachloride', 'Tetrachlorotitanium'] @en
pubchem: 24193
smiles: Cl[Ti](Cl)(Cl)Cl
inchikey: XJDNKRIXUMDJCW-UHFFFAOYSA-J
broader: CHEMONTID_0000588
in scheme: Conceptschema Chemische Stoffen
notation: TiT4Cl

sulfadoxine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2447-57-6
formula: C12H14N4O4S
inchi: InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
iupac name: 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide @en
pubchem: 17134
inchikey: PJSFRIWCGOHTNF-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: sulfdxne

flocoumafen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 90035-08-8
formula: C33H25F3O4
inchi: InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,38H,17-19H2
iupac name: 2-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one @en
pubchem: 91748
inchikey: OWUZCVPRFKSBRG-UHFFFAOYSA-N
broader: CHEMONTID_0002044
in scheme: Conceptschema Chemische Stoffen
notation: flocmfn

laurylsulfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 22397-58-6
cas number: 151-41-7
formula: C12H26O8S2Zn-2
inchi: InChI=1S/C12H26.2H2O4S.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-5(2,3)4;/h3-12H2,1-2H3;2*(H2,1,2,3,4);/q;;;+2/p-4
iupac name: zinc dodecane disulfate @en
pubchem: 16205018
smiles: CCCCCCCCCCCC.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zn+2]
inchikey: MFXAFJHONPALGF-UHFFFAOYSA-J
broader: CHEMONTID_0003929
in scheme: Conceptschema Chemische Stoffen
notation: C12ySO4

lanthaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14762-71-1
cas number: 110123-48-3
cas number: 17643-88-8
cas number: 7439-91-0
formula: La
inchi: InChI=1S/La
iupac name: LANTHANUM @en
pubchem: 23926
smiles: [La]
inchikey: FZLIPJUXYLNCLC-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: La

ethofumesaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 26225-79-6
formula: C13H18O5S
inchi: InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3
iupac name: (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate @en
pubchem: 33360
inchikey: IRCMYGHHKLLGHV-UHFFFAOYSA-N
alternative label: ethofumesate
broader: CHEMONTID_0004189
in scheme: Conceptschema Chemische Stoffen
notation: etfmst

dibutyltin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1002-53-5
formula: C8H18Sn
inchi: InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;
iupac name: dibutyltin @en
pubchem: 6484
smiles: CCCC[Sn]CCCC
inchikey: AYOHIQLKSOJJQH-UHFFFAOYSA-N
broader: CHEMONTID_0001524
in scheme: Conceptschema Chemische Stoffen

3-(hydroxymethylfosfinoyl)propionzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15090-23-0
formula: C4H9O4P
inchi: InChI=1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
iupac name: 3-(hydroxy-methylphosphoryl)propanoic acid @en
pubchem: 84788
smiles: CP(=O)(CCC(=O)O)O
inchikey: QXFUBAAEKCHBQY-UHFFFAOYSA-N
broader: CHEMONTID_0001205
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yPppozr

molybdeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7439-98-7
cas number: 22541-84-0
cas number: 16065-87-5
formula: Mo
inchi: InChI=1S/Mo
iupac name: Molybdenum @en
pubchem: 23932
smiles: [Mo]
inchikey: ZOKXTWBITQBERF-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Mo

1-chloorhexadecaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4860-03-1
formula: C16H33Cl
inchi: InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
iupac name: 1-Chlorohexadecane @en
pubchem: 20993
smiles: CCCCCCCCCCCCCCCCCl
inchikey: CLWAXFZCVYJLLM-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 1ClC16a

dichloorfluormethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 39289-28-6
cas number: 75-43-4
formula: CHCl2F
inchi: InChI=1S/CHCl2F/c2-1(3)4/h1H
iupac name: dichloro-fluoromethane @en
pubchem: 6370
smiles: C(F)(Cl)Cl
inchikey: UMNKXPULIDJLSU-UHFFFAOYSA-N
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: HCFK21

demeton
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8065-48-3
cas number: 8058-73-9
cas number: 34624-53-8
cas number: 8000-97-3
formula: C16H38O6P2S4
inchi: InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3
iupac name: diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane; 1-(2-diethoxyphosphorylsulfanylethylsulfanyl)ethane @en
pubchem: 24722
smiles: CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC
inchikey: FAXIJTUDSBIMHY-UHFFFAOYSA-N
broader: CHEMONTID_0003384
in scheme: Conceptschema Chemische Stoffen

2-butaanthiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 513-53-1
cas number: 91840-99-2
formula: C4H10S
inchi: InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
iupac name: butane-2-thiol @en
pubchem: 10560
smiles: CCC(C)S
inchikey: LOCHFZBWPCLPAN-UHFFFAOYSA-N
broader: CHEMONTID_0001212
in scheme: Conceptschema Chemische Stoffen
notation: 2C4atol

ethyl chloorformaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52803-29-9
cas number: 541-41-3
formula: C3H5ClO2
inchi: InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3
iupac name: ETHYL CHLOROFORMATE @en
pubchem: 10928
smiles: CCOC(=O)Cl
inchikey: RIFGWPKJUGCATF-UHFFFAOYSA-N
broader: CHEMONTID_0000364
in scheme: Conceptschema Chemische Stoffen
notation: C2yClfmt

famfur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52-85-7
formula: C10H16NO5PS2
inchi: InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3
iupac name: 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide @en
pubchem: 5859
smiles: CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
inchikey: JISACBWYRJHSMG-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: famfr

daminozide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1596-84-5
cas number: 1861-26-3
cas number: 74913-15-8
formula: C6H12N2O3
inchi: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
iupac name: 4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid @en
pubchem: 15331
smiles: CN(C)NC(=O)CCC(=O)O
inchikey: NOQGZXFMHARMLW-UHFFFAOYSA-N
broader: CHEMONTID_0000333
in scheme: Conceptschema Chemische Stoffen
notation: damnzde

2-trans-4-trans-decadienal
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 30551-18-9
cas number: 2363-88-4
cas number: 25152-84-5
formula: C10H16O
inchi: InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+
iupac name: ['deca-2,4-dienal', '(2E,4E)-deca-2,4-dienal'] @en
pubchem: 5283349
smiles: CCCCCC=CC=CC=O
inchikey: JZQKTMZYLHNFPL-BLHCBFLLSA-N
broader: CHEMONTID_0002229
in scheme: Conceptschema Chemische Stoffen
notation: 2t4tDcdeal

bis(tribroomfenoxy)-ethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 59764-36-2
cas number: 37853-59-1
formula: C14H8Br6O2
inchi: InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2
iupac name: 1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene @en
pubchem: 37840
inchikey: YATIGPZCMOYEGE-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen

perchloormethylmercaptan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 20434-91-7
cas number: 594-42-3
formula: CCl4S
inchi: InChI=1S/CCl4S/c2-1(3,4)6-5
iupac name: trichloromethyl thiohypochlorite @en
pubchem: 11666
smiles: C(SCl)(Cl)(Cl)Cl
inchikey: RYFZYYUIAZYQLC-UHFFFAOYSA-N
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: perClC1ymctn

ruthenium 103
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13968-53-1
formula: Ru
inchi: InChI=1S/Ru/i1+2
iupac name: ruthenium-103 @en
pubchem: 104749
smiles: [Ru]
inchikey: KJTLSVCANCCWHF-NJFSPNSNSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ru103

2,6-dichloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 33146-45-1
formula: C12H8Cl2
inchi: InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H
iupac name: 1,3-dichloro-2-phenylbenzene @en
pubchem: 36342
smiles: C1=CC=C(C=C1)C2=C(C=CC=C2Cl)Cl
inchikey: IYZWUWBAFUBNCH-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB10

2,3,6-trichloorfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 933-75-5
formula: C6H3Cl3O
inchi: InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
iupac name: 2,3,6-TRICHLOROPHENOL @en
pubchem: 13618
smiles: C1=CC(=C(C(=C1Cl)O)Cl)Cl
inchikey: XGCHAIDDPMFRLJ-UHFFFAOYSA-N
broader: CHEMONTID_0002771
in scheme: Conceptschema Chemische Stoffen
notation: 236TClFol

tritriacontaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 630-05-7
formula: C33H68
iupac name: Tritriacontane @en
pubchem: 12411
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: SUJUOAZFECLBOA-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C33a

2,3,4,5-tetrachloornitrobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 879-39-0
formula: C6HCl4NO2
inchi: InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
iupac name: 1,2,3,4-Tetrachloro-5-nitrobenzene @en
pubchem: 13428
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-]
inchikey: MTBYTWZDRVOMBR-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen

adenosine-trifosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 56-65-5
formula: C10H16N5O13P3
iupac name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate @en
pubchem: 238
inchikey: ZKHQWZAMYRWXGA-UHFFFAOYSA-N
broader: CHEMONTID_0001619
in scheme: Conceptschema Chemische Stoffen
notation: ATP

1,2,3,4,6,7,8-heptachloordibenzo-para-dioxine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 35822-46-9
formula: C12HCl7O2
inchi: InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H
iupac name: 1,2,3,4,6,7,8-heptachlorooxanthrene @en
pubchem: 37270
inchikey: WCLNVRQZUKYVAI-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,4,6,7,8-heptachloordibenzodioxine
alternative label: 1,2,3,4,6,7,8-heptachloordibenzo-p-dioxine
alternative label: 1,2,3,4,6,7,8-heptachloordibenzodioxine (hpcdd)
broader: CHEMONTID_0000420
in scheme: Conceptschema Chemische Stoffen
notation: PCDD73

2-trifluormethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 88-17-5
formula: C7H6F3N
inchi: InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2
iupac name: 2-(Trifluoromethyl)aniline @en
pubchem: 6922
smiles: C1=CC=C(C(=C1)C(F)(F)F)N
inchikey: VBLXCTYLWZJBKA-UHFFFAOYSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: 2TFC1yAn

6-aminohexaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 87867-96-7
cas number: 93208-38-9
cas number: 60-32-2
cas number: 1319-82-0
formula: C6H13NO2
inchi: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
iupac name: 6-aminohexanoic acid @en
pubchem: 564
smiles: C(CCC(=O)O)CCN
inchikey: SLXKOJJOQWFEFD-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: 6AoC6azr

cefquinome
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 84957-30-2
formula: C23H24N6O5S2
inchi: InChI=1S/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33)/b27-16+/t17-,21-/m1/s1
iupac name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
pubchem: 9571084
inchikey: YWKJNRNSJKEFMK-KJXIDEHUSA-N
broader: CHEMONTID_0000173
in scheme: Conceptschema Chemische Stoffen

miconazolnitraat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 22832-87-7
cas number: 75319-48-1
formula: C18H15Cl4N3O4
inchi: InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)
iupac name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid @en
pubchem: 68553
inchikey: MCCACAIVAXEFAL-UHFFFAOYSA-N
broader: CHEMONTID_0002542
in scheme: Conceptschema Chemische Stoffen
notation: micnzNO3

tetrachloorftaalzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 632-58-6
cas number: 110471-67-5
formula: C8H2Cl4O4
inchi: InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
iupac name: 3,4,5,6-tetrachlorophthalic acid @en
pubchem: 12442
inchikey: WZHHYIOUKQNLQM-UHFFFAOYSA-N
broader: CHEMONTID_0003097
in scheme: Conceptschema Chemische Stoffen
notation: tT4ClFtzr

1,4-dinitrobenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 100-25-4
formula: C6H4N2O4
inchi: InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
iupac name: 1,4-Dinitrobenzene @en
pubchem: 7492
smiles: C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]
inchikey: FYFDQJRXFWGIBS-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 14DNO2Ben

dibutyl-3-hydroxybutylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 89197-69-3
formula: C12H27O5P
inchi: InChI=1S/C12H27O5P/c1-4-6-9-15-18(14,16-10-7-5-2)17-11-8-12(3)13/h12-13H,4-11H2,1-3H3
iupac name: dibutyl 3-hydroxybutyl phosphate @en
pubchem: 187696
smiles: CCCCOP(=O)(OCCCC)OCCC(C)O
inchikey: LJBNHONKIDIOPD-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: DC4y3OHC4yPO

adiponitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 111-69-3
cas number: 68411-90-5
cas number: 68511-79-5
formula: C6H8N2
inchi: InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
iupac name: Hexanedinitrile @en
pubchem: 8128
smiles: C(CCC#N)CC#N
inchikey: BTGRAWJCKBQKAO-UHFFFAOYSA-N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: adpntl

2-methylheptaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 28777-67-5
cas number: 26635-64-3
cas number: 11070-05-6
cas number: 1281-99-8
cas number: 592-27-8
formula: C8H18
inchi: InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3
iupac name: 2-Methylheptane @en
pubchem: 11594
smiles: CCCCCC(C)C
inchikey: JVSWJIKNEAIKJW-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC7a

rhenium 186
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 14998-63-1
formula: Re
inchi: InChI=1S/Re/i1+0
iupac name: rhenium-186 @en
pubchem: 161105
smiles: [Re]
inchikey: WUAPFZMCVAUBPE-IGMARMGPSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Re186

cis-9,12,15-octadecatrieenzuur methylester
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 301-00-8
formula: C19H32O2
inchi: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
iupac name: methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate @en
pubchem: 5319706
smiles: CCC=CCC=CCC=CCCCCCCCC(=O)OC
inchikey: DVWSXZIHSUZZKJ-YSTUJMKBSA-N
broader: CHEMONTID_0000504
in scheme: Conceptschema Chemische Stoffen
notation: cC18aTzrC1yE

calciumchloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 10043-52-4
cas number: 14639-81-7
cas number: 139468-93-2
formula: CaCl2
inchi: InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
iupac name: Calcium dichloride @en
pubchem: 24854
smiles: [Cl-].[Cl-].[Ca+2]
inchikey: UXVMQQNJUSDDNG-UHFFFAOYSA-L
broader: CHEMONTID_0000568
in scheme: Conceptschema Chemische Stoffen
notation: CaCl2

1-aminonaftaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 25168-10-9
cas number: 12262-09-8
cas number: 134-32-7
formula: C10H9N
inchi: InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
iupac name: naphthalen-1-amine @en
pubchem: 8640
smiles: C1=CC=C2C(=C1)C=CC=C2N
inchikey: RUFPHBVGCFYCNW-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 1AoNaf

methacrifos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 62610-77-9
cas number: 30864-28-9
formula: C7H13O5PS
inchi: InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+
iupac name: ['methyl 3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate', 'methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate'] @en
pubchem: 3034435
smiles: CC(=COP(=S)(OC)OC)C(=O)OC
inchikey: NTAHCMPOMKHKEU-AATRIKPKSA-N
alternative label: trans-methacrifos
broader: CHEMONTID_0003384
in scheme: Conceptschema Chemische Stoffen
notation: tmethcfs
notation: methcfs

furfurylalcohol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 88161-36-8
cas number: 25212-86-6
cas number: 93793-62-5
cas number: 98-00-0
formula: C5H6O2
inchi: InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
iupac name: furan-2-ylmethanol @en
pubchem: 7361
smiles: C1=COC(=C1)CO
inchikey: XPFVYQJUAUNWIW-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 009
alternative label: 2-furaanmethanol
broader: CHEMONTID_0004144
in scheme: Conceptschema Chemische Stoffen
notation: 2furC1ol

monoethanolamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 141-43-5
cas number: 9007-33-4
formula: C2H7NO
inchi: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
iupac name: 2-aminoethanol @en
pubchem: 700
smiles: C(CO)N
inchikey: HZAXFHJVJLSVMW-UHFFFAOYSA-N
broader: CHEMONTID_0001897
in scheme: Conceptschema Chemische Stoffen
notation: MC2olAe

1,2-epoxy-3-methylbutaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1438-14-8
formula: C5H10O
inchi: InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1
iupac name: (2S)-2-propan-2-yloxirane @en
pubchem: 7577875
smiles: CC(C)C1CO1
inchikey: REYZXWIIUPKFTI-RXMQYKEDSA-N
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
notation: 12epOx3C1yC4

1,2,3,7,8,9-hexachloordibenzofuran
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 72918-21-9
formula: C12H2Cl6O
inchi: InChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H
iupac name: 1,2,3,7,8,9-HEXACHLORODIBENZOFURAN @en
pubchem: 51720
inchikey: PYUSJFJVDVSXIU-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,7,8,9-hexachloordibenzofuraan (hxcdf)
alternative label: 1,2,3,7,8,9-hexachloordibenzofuraan
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF124

4-nitrodimethylaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 508191-95-5
cas number: 100-23-2
formula: C8H10N2O2
inchi: InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
iupac name: N,N-Dimethyl-4-nitroaniline @en
pubchem: 7491
smiles: CN(C)C1=CC=C(C=C1)[N+](=O)[O-]
inchikey: QJAIOCKFIORVFU-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 4NO2DC1yAn

eicosamethylcyclodecasiloxaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 18772-36-6
formula: C20H60O10Si10
iupac name: 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20-icosamethyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane @en
pubchem: 519601
inchikey: CDNNKGWZSNSADW-UHFFFAOYSA-N
broader: CHEMONTID_0004445
in scheme: Conceptschema Chemische Stoffen
notation: C20aC1yccDcs

2-methoxyethylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 32718-56-2
cas number: 110-49-6
formula: C5H10O3
inchi: InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3
iupac name: 2-Methoxyethyl acetate @en
pubchem: 8054
smiles: CC(=O)OCCOC
inchikey: XLLIQLLCWZCATF-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: 2C1oxC2yactt

bensulfuron-methyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 83055-99-6
cas number: 104466-83-3
formula: C16H18N4O7S
inchi: InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)
iupac name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate @en
pubchem: 54960
inchikey: XMQFTWRPUQYINF-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: bensfrnC1y

samarium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 110123-52-9
cas number: 7440-19-9
formula: Sm
inchi: InChI=1S/Sm
iupac name: SAMARIUM @en
pubchem: 23951
smiles: [Sm]
inchikey: KZUNJOHGWZRPMI-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Sm

benzylbenzoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 120-51-4
formula: C14H12O2
inchi: InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
iupac name: Phenylmethyl benzoate @en
pubchem: 2345
smiles: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
inchikey: SESFRYSPDFLNCH-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: benzbzat

progesteron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 8012-32-6
cas number: 753497-20-0
cas number: 257630-50-5
cas number: 8023-13-0
cas number: 57-83-0
formula: C21H30O2
inchi: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
iupac name: (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 5994
inchikey: RJKFOVLPORLFTN-LEKSSAKUSA-N
broader: CHEMONTID_0001468
in scheme: Conceptschema Chemische Stoffen
notation: progtrn

nonadecaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 629-92-5
formula: C19H40
inchi: InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
iupac name: NONADECANE @en
pubchem: 12401
smiles: CCCCCCCCCCCCCCCCCCC
inchikey: LQERIDTXQFOHKA-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C19a

enalapril
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 75847-73-3
formula: C20H28N2O5
inchi: InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
iupac name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid @en
pubchem: 5388962
inchikey: GBXSMTUPTTWBMN-XIRDDKMYSA-N
broader: CHEMONTID_0004830
in scheme: Conceptschema Chemische Stoffen
notation: enlpl

4-formylaminoantipyrine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1672-58-8
formula: C12H13N3O2
inchi: InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
iupac name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamide @en
pubchem: 72666
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O
inchikey: WSJBSKRPKADYRQ-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: 4formAoatprn

tolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II bijl. 4.4.2
cas number: 108-88-3
cas number: 50643-04-4
cas number: 3101-08-4
formula: C7H8
inchi: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
iupac name: methylbenzene @en
pubchem: 1140
smiles: CC1=CC=CC=C1
inchikey: YXFVVABEGXRONW-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 001
is referenced by: CMA 2 III A
broader: CHEMONTID_0001091
in scheme: Conceptschema Chemische Stoffen
notation: Tol

3,4-dimethylpyrazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2820-37-3
formula: C5H8N2
inchi: InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)
iupac name: 3,4-dimethyl-2H-pyrazole @en
pubchem: 137735
smiles: CC1=C(NN=C1)C
inchikey: VQTVFIMEENGCJA-UHFFFAOYSA-N
broader: CHEMONTID_0000087
in scheme: Conceptschema Chemische Stoffen
notation: 34DC1yprzl

triclosan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 88032-08-0
cas number: 112099-35-1
cas number: 3380-34-5
formula: C12H7Cl3O2
inchi: InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
iupac name: 5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL @en
pubchem: 5564
smiles: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
inchikey: XEFQLINVKFYRCS-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: Tcsn

3-methyl-2-pentanon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 565-61-7
formula: C6H12O
inchi: InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
iupac name: 3-METHYLPENTAN-2-ONE @en
pubchem: 11262
smiles: CCC(C)C(=O)C
inchikey: UIHCLUNTQKBZGK-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 3C1y2C5on

4-octyl-N-(4-octylfenyl)-benzeenamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1336-54-5
cas number: 101-67-7
cas number: 26603-23-6
formula: C28H43N
inchi: InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3
iupac name: 4-Octyl-N-(4-octylphenyl)aniline @en
pubchem: 7569
inchikey: QAPVYZRWKDXNDK-UHFFFAOYSA-N
alternative label: 4-octyl-n-(4-octylfenyl)-benzeenamine
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 4C8yN4C8yFyB

p-tolueensulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 104-15-4
cas number: 126033-27-0
cas number: 144647-92-7
cas number: 128739-80-0
cas number: 114213-96-6
cas number: 25231-46-3
cas number: 156627-46-2
cas number: 100901-72-2
cas number: 402-47-1
cas number: 210357-81-6
formula: C7H8O3S
inchi: InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
iupac name: 4-Methylbenzenesulfonic acid @en
pubchem: 6101
smiles: CC1=CC=C(C=C1)S(=O)(=O)O
inchikey: JOXIMZWYDAKGHI-UHFFFAOYSA-N
broader: CHEMONTID_0003278
in scheme: Conceptschema Chemische Stoffen
notation: pTolsfzr

C.I. Solvent Yellow 3
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 97-56-3
cas number: 41576-40-3
cas number: 28676-13-3
formula: C14H15N3
inchi: InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3
iupac name: 2-methyl-4-(2-methylphenyl)diazenylaniline @en
pubchem: 7340
smiles: CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C
inchikey: PFRYFZZSECNQOL-UHFFFAOYSA-N
alternative label: c.i. solvent yellow 3
broader: CHEMONTID_0003370
in scheme: Conceptschema Chemische Stoffen
notation: cisyw3

chloorhexidinegluconaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14007-07-9
cas number: 18472-51-0
cas number: 12068-31-4
cas number: 124973-71-3
cas number: 151498-43-0
cas number: 40330-16-3
cas number: 60404-86-6
cas number: 60042-57-1
cas number: 51365-13-0
cas number: 82432-16-4
cas number: 105791-72-8
cas number: 52387-19-6
cas number: 150621-85-5
cas number: 23289-58-9
cas number: 52196-45-9
cas number: 21293-24-3
formula: C34H54Cl2N10O14
inchi: InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1
iupac name: (1E)-2-[6-[[amino-[[amino-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[amino-[(4-chlorophenyl)amino]methylidene]guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid @en
pubchem: 29089
inchikey: YZIYKJHYYHPJIB-UUPCJSQJSA-N
broader: CHEMONTID_0000215
in scheme: Conceptschema Chemische Stoffen
notation: clhxdngcnt

chloorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68411-72-3
cas number: 16520-13-1
cas number: 68583-57-3
cas number: 75-00-3
cas number: 68909-11-5
formula: C2H5Cl
inchi: InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
iupac name: Chloroethane @en
pubchem: 6337
smiles: CCCl
inchikey: HRYZWHHZPQKTII-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: ClC2a

berkelium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7440-40-6
formula: Bk
inchi: InChI=1S/Bk
iupac name: BERKELIUM @en
pubchem: 23971
smiles: [Bk]
inchikey: PWVKJRSRVJTHTR-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Bk

2,6-dichloortolueen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 118-69-4
formula: C7H6Cl2
inchi: InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
iupac name: 1,3-dichloro-2-methylbenzene @en
pubchem: 8368
smiles: CC1=C(C=CC=C1Cl)Cl
inchikey: DMEDNTFWIHCBRK-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 26DClTol

chloorbufam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1967-16-4
formula: C11H10ClNO2
inchi: InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)
iupac name: but-3-yn-2-yl N-(3-chlorophenyl)carbamate @en
pubchem: 16073
smiles: CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl
inchikey: ULBXWWGWDPVHAO-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: Clbfm

2-hydroxyatrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2163-68-0
formula: C8H15N5O
inchi: InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
iupac name: 4-ethylamino-6-(propan-2-ylamino)-5H-1,3,5-triazin-2-one @en
pubchem: 16553
smiles: CCNC1=NC(=O)N=C(N1)NC(C)C
inchikey: NFMIMWNQWAWNDW-UHFFFAOYSA-N
alternative label: 2-hydroxy-atrazine
broader: CHEMONTID_0004105
in scheme: Conceptschema Chemische Stoffen
notation: 2HOxatzne

1-dodecanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68551-07-5
cas number: 8032-09-5
cas number: 112-53-8
cas number: 68855-55-0
cas number: 8032-10-8
cas number: 8032-08-4
cas number: 8014-32-2
cas number: 1322-35-6
formula: C12H26O
inchi: InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
iupac name: dodecan-1-ol @en
pubchem: 8193
smiles: CCCCCCCCCCCCO
inchikey: LQZZUXJYWNFBMV-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 1C12ol

d-trans-allethrin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8018-12-0
cas number: 6385-68-8
cas number: 3972-20-1
cas number: 18877-88-8
cas number: 22556-34-9
cas number: 22467-86-3
cas number: 84030-86-4
cas number: 25406-22-8
cas number: 28434-00-6
cas number: 28991-27-7
cas number: 18793-35-6
cas number: 584-79-2
cas number: 25406-25-1
cas number: 71211-88-6
cas number: 207562-36-5
cas number: 34624-48-1
cas number: 24313-23-3
cas number: 137-98-4
cas number: 23453-08-9
cas number: 71119-51-2
cas number: 28057-48-9
cas number: 20301-61-5
cas number: 22431-63-6
cas number: 6385-67-7
cas number: 42534-61-2
cas number: 25406-24-0
formula: C19H26O3
inchi: InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
iupac name: (2-methyl-4-oxo-3-prop-2-enyl-1-cyclopent-2-enyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 11442
inchikey: ZCVAOQKBXKSDMS-UHFFFAOYSA-N
alternative label: allethrin
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: alltn
notation: dtalltn

ethylparathion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 110616-89-2
cas number: 11111-91-4
cas number: 56-38-2
cas number: 8057-70-3
formula: C10H14NO5PS
inchi: InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
iupac name: diethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane @en
pubchem: 991
smiles: CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
inchikey: LCCNCVORNKJIRZ-UHFFFAOYSA-N
alternative label: parathion-ethyl
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: C2yprton

acrylzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 104922-39-6
cas number: 81031-52-9
cas number: 55927-87-2
cas number: 101360-15-0
cas number: 174594-09-3
cas number: 29862-29-1
cas number: 54990-82-8
cas number: 59233-19-1
cas number: 105913-47-1
cas number: 11132-69-7
cas number: 37241-23-9
cas number: 51142-25-7
cas number: 82446-45-5
cas number: 56747-65-0
cas number: 54578-44-8
cas number: 39341-22-5
cas number: 9003-03-6
cas number: 71767-27-6
cas number: 65742-16-7
cas number: 125857-68-3
cas number: 54182-57-9
cas number: 25987-55-7
cas number: 88650-89-9
cas number: 71767-28-7
cas number: 79-10-7
cas number: 87913-02-8
cas number: 9007-20-9
cas number: 165724-08-3
formula: C3H4O2
inchi: InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
iupac name: prop-2-enoic acid @en
pubchem: 6581
smiles: C=CC(=O)O
inchikey: NIXOWILDQLNWCW-UHFFFAOYSA-N
alternative label: 2-propeenzuur
broader: CHEMONTID_0004451
in scheme: Conceptschema Chemische Stoffen
notation: 2C3ezr

fenantreen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 85-01-8
formula: C14H10
inchi: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
iupac name: Phenanthrene @en
pubchem: 995
smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C32
inchikey: YNPNZTXNASCQKK-UHFFFAOYSA-N
is referenced by: LUC VI 001
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: Fen

2,4-dichloorfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 120-83-2
formula: C6H4Cl2O
inchi: InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
iupac name: 2,4-Dichlorophenol @en
pubchem: 8449
smiles: C1=CC(=C(C=C1Cl)Cl)O
inchikey: HFZWRUODUSTPEG-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 24DClFol

arseen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'
comment: VLAR (D2) 'arseen'
comment: VLAR III (D3, diverse art) 'As'
comment: VLAR III (D3) 'AsH3'
comment: VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'
comment: VLAR bijl. II 2.5.8 'arseen'
comment: VLAREM II bijlage 4.4.2
comment: VLAR III (D3) 'Arseen en de verbindingen daarvan, uitgedrukt als arseen (As)'
cas number: 7784-42-1
cas number: 39277-51-5
cas number: 7440-38-2
cas number: 55624-62-9
formula: As
inchi: InChI=1S/As
iupac name: Arsenic @en
pubchem: 5359596
smiles: [As]
inchikey: RQNWIZPPADIBDY-UHFFFAOYSA-N
is referenced by: LUC I 002
is referenced by: LUC III 010
alternative label: arseen (As)
broader: CHEMONTID_0000431
definition: arseen en arseenverbindingen, uitgedrukt als arseen (As)
in scheme: Conceptschema Chemische Stoffen
notation: As

3-chloor-n,n-dimethylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 6848-13-1
formula: C8H10ClN
inchi: InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
iupac name: 3-Chloro-N,N-dimethylaniline @en
pubchem: 23285
smiles: CN(C)C1=CC(=CC=C1)Cl
inchikey: CHHCCYVOJBBCIY-UHFFFAOYSA-N
alternative label: 3-chloor-N,N-dimethylaniline
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: 3ClNNDC1yAn

bis(2-methoxyethyl)ether
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 111-96-6
cas number: 142939-39-7
cas number: 70992-86-8
cas number: 54631-70-8
formula: C6H14O3
inchi: InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
iupac name: 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE @en
pubchem: 8150
smiles: COCCOCCOC
inchikey: SBZXBUIDTXKZTM-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: bis2C1oxC2yE

clonazepam
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 106955-87-7
cas number: 1622-61-3
formula: C15H10ClN3O3
inchi: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
iupac name: 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one @en
pubchem: 2802
smiles: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
inchikey: DGBIGWXXNGSACT-UHFFFAOYSA-N
broader: CHEMONTID_0004097
in scheme: Conceptschema Chemische Stoffen
notation: clonzpm

2,4-dioctylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1807-29-0
formula: C22H38O
inchi: InChI=1S/C22H38O/c1-3-5-7-9-11-13-15-20-17-18-22(23)21(19-20)16-14-12-10-8-6-4-2/h17-19,23H,3-16H2,1-2H3
iupac name: 2,4-Dioctylphenol @en
pubchem: 74548
smiles: CCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCC
inchikey: RLMZELPHRPTNJX-UHFFFAOYSA-N
broader: CHEMONTID_0004646
in scheme: Conceptschema Chemische Stoffen
notation: 24DC8yFol

acenaftyleen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 208-96-8
cas number: 34493-60-2
formula: C12H8
inchi: InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
iupac name: Acenaphthylene @en
pubchem: 9161
smiles: C1=CC2=C3C(=C1)C=CC3=CC=C2
inchikey: HXGDTGSAIMULJN-UHFFFAOYSA-N
is referenced by: LUC VI 001
is referenced by: WAC IV A 002
broader: CHEMONTID_0004812
in scheme: Conceptschema Chemische Stoffen
notation: AcNy

cyhalofop-butyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 122008-85-9
formula: C20H20FNO4
inchi: InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1
iupac name: butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate @en
pubchem: 180089
inchikey: TYIYMOAHACZAMQ-CQSZACIVSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: cyhlfC4y

sertraline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 79617-96-2
formula: C17H17Cl2N
inchi: InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
iupac name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine @en
pubchem: 68617
inchikey: VGKDLMBJGBXTGI-SJCJKPOMSA-N
broader: CHEMONTID_0000049
in scheme: Conceptschema Chemische Stoffen
notation: sertlne

chloorfluazuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 71422-67-8
formula: C20H9Cl3F5N3O3
iupac name: N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide @en
pubchem: 91708
inchikey: UISUNVFOGSJSKD-UHFFFAOYSA-N
broader: CHEMONTID_0004513
in scheme: Conceptschema Chemische Stoffen
notation: Clfazrn

4,4'-diaminodifenylether
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 101-80-4
cas number: 121509-79-3
formula: C12H12N2O
inchi: InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
iupac name: 4-(4-aminophenoxy)aniline @en
pubchem: 7579
smiles: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N
inchikey: HLBLWEWZXPIGSM-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: 44DAoDFyEtr

aspirine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2349-94-2
cas number: 98201-60-6
cas number: 11126-37-7
cas number: 26914-13-6
cas number: 50-78-2
cas number: 11126-35-5
formula: C9H8O4
inchi: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
iupac name: 2-acetyloxybenzoic acid @en
pubchem: 2244
smiles: CC(=O)OC1=CC=CC=C1C(=O)O
inchikey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
broader: CHEMONTID_0004577
in scheme: Conceptschema Chemische Stoffen
notation: asprne

trans-1-chloor-1-propeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 36472-34-1
cas number: 16136-85-9
formula: C3H5Cl
inchi: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+
iupac name: ['1-chloroprop-1-ene', '(E)-1-chloroprop-1-ene'] @en
pubchem: 5284364
smiles: CC=CCl
inchikey: OWXJKYNZGFSVRC-NSCUHMNNSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: t1Cl1C3e

heneicosaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 629-94-7
formula: C21H44
iupac name: Henicosane @en
pubchem: 12403
smiles: CCCCCCCCCCCCCCCCCCCCC
inchikey: FNAZRRHPUDJQCJ-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C21a

pyrazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 288-13-1
cas number: 116421-36-4
cas number: 53153-43-8
formula: C3H4N2
inchi: InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
iupac name: 1H-Pyrazole @en
pubchem: 1048
smiles: C1=CNN=C1
inchikey: WTKZEGDFNFYCGP-UHFFFAOYSA-N
broader: CHEMONTID_0000087
in scheme: Conceptschema Chemische Stoffen
notation: pyrzl

abamectine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 71751-41-2
cas number: 86753-29-9
formula: C95H142O28
inchi: InChI=1S/C48H72O14.C47H70O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3;11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1
iupac name: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one @en
pubchem: 6435890
inchikey: IBSREHMXUMOFBB-MVGRHBATSA-N
broader: CHEMONTID_0000147
in scheme: Conceptschema Chemische Stoffen
notation: abmtne

N-isopropylbutylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 39099-23-5
formula: C7H17N
inchi: InChI=1S/C7H17N/c1-4-5-6-8-7(2)3/h7-8H,4-6H2,1-3H3
iupac name: N-propan-2-ylbutan-1-amine @en
pubchem: 123480
smiles: CCCCNC(C)C
inchikey: OKRJGUKZYSEUOY-UHFFFAOYSA-N
alternative label: n-isopropylbutylamine
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: NiC3yC4yAe

pirimisulfuron-methyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 86209-51-0
cas number: 179765-69-6
formula: C15H12F4N4O7S
iupac name: methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate @en
pubchem: 101525
inchikey: ZTYVMAQSHCZXLF-UHFFFAOYSA-N
broader: CHEMONTID_0004705
in scheme: Conceptschema Chemische Stoffen
notation: pirmsfrnC1y

memantine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 51052-62-1
cas number: 19982-08-2
formula: C12H21N
inchi: InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
iupac name: 3,5-dimethyladamantan-1-amine @en
pubchem: 4054
smiles: CC12CC3CC(C1)(CC(C3)(C2)N)C
inchikey: BUGYDGFZZOZRHP-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: memtne

2-(1-naftyl)aceetamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 31093-43-3
cas number: 86-86-2
formula: C12H11NO
inchi: InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
iupac name: 2-naphthalen-1-ylacetamide @en
pubchem: 6861
smiles: C1=CC=C2C(=C1)C=CC=C2CC(=O)N
inchikey: XFNJVKMNNVCYEK-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 21ntacAd

2,3-epoxypropyltrimethylammoniumchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 51838-31-4
cas number: 3033-77-0
cas number: 129829-22-7
cas number: 37229-18-8
formula: C6H14ClNO
inchi: InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
iupac name: trimethyl-(oxiran-2-ylmethyl)azanium chloride @en
pubchem: 18205
smiles: C[N+](C)(C)CC1CO1.[Cl-]
inchikey: PUVAFTRIIUSGLK-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: 23epOxC3yTC1

dicamba-natriumzout
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1982-69-0
formula: C8H5Cl2NaO3
inchi: InChI=1S/C8H6Cl2O3.Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1
iupac name: Sodium 3,6-dichloro-2-methoxybenzoate @en
pubchem: 16119
smiles: COC1=C(C=CC(=C1C(=O)[O-])Cl)Cl.[Na+]
inchikey: HLZCHRAMVPCKDU-UHFFFAOYSA-M
broader: CHEMONTID_0002345
in scheme: Conceptschema Chemische Stoffen
notation: DcbNazt

tebuthiuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 34014-18-1
formula: C9H16N4OS
inchi: InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)
iupac name: 1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea @en
pubchem: 5383
smiles: CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
inchikey: HBPDKDSFLXWOAE-UHFFFAOYSA-N
broader: CHEMONTID_0004668
in scheme: Conceptschema Chemische Stoffen
notation: tebturn

1,2-dimethoxypropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7778-85-0
formula: C5H12O2
inchi: InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
iupac name: 1,2-DIMETHOXYPROPANE @en
pubchem: 24509
smiles: CC(COC)OC
inchikey: LEEANUDEDHYDTG-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 12DC1oxC3a

fluroxypyr-meptyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 81406-37-3
formula: C15H21Cl2FN2O3
iupac name: octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate @en
pubchem: 54745
inchikey: OLZQTUCTGLHFTQ-UHFFFAOYSA-N
broader: CHEMONTID_0003971
in scheme: Conceptschema Chemische Stoffen
notation: fluOxpmtl

3-chloor-2-methyl-1-propeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 563-47-3
formula: C4H7Cl
inchi: InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
iupac name: 3-Chloro-2-methylprop-1-ene @en
pubchem: 11241
smiles: CC(=C)CCl
inchikey: OHXAOPZTJOUYKM-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 3Cl2C1y1C3e

1,2-dichlooretheen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 540-59-0
cas number: 43695-79-0
cas number: 156-60-5
formula: C2H2Cl2
inchi: InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+
iupac name: ['1,2-Dichloroethene', '(E)-1,2-Dichloroethene'] @en
pubchem: 638186
smiles: C(=CCl)Cl
inchikey: KFUSEUYYWQURPO-OWOJBTEDSA-N
is referenced by: LUC IV 011
alternative label: 1,2-dichloorethyleen
alternative label: 1,2-dichlooretheen,trans
alternative label: 1,2-dichlooretheen, cis
alternative label: trans-1,2-dichlooretheen
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: t12DClC2e
notation: 12DClC2e

octylfenolpolyethoxylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 51437-89-9
cas number: 26636-32-8
formula: C16H26O2
inchi: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-14-13-17/h9-12,17H,2-8,13-14H2,1H3
iupac name: 2-(4-octylphenoxy)ethanol @en
pubchem: 94543
smiles: CCCCCCCCC1=CC=C(C=C1)OCCO
inchikey: BHNQPLPANNDEGL-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen

carbonaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3812-32-6
formula: CO3-2
inchi: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
iupac name: carbonate @en
pubchem: 19660
smiles: C(=O)([O-])[O-]
inchikey: BVKZGUZCCUSVTD-UHFFFAOYSA-L
broader: CHEMONTID_0001521
in scheme: Conceptschema Chemische Stoffen
notation: CO3

benzyldimethyloctylammoniumchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 959-55-7
formula: C17H30ClN
inchi: InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1
iupac name: benzyl-dimethyl-octylazanium chloride @en
pubchem: 13740
smiles: CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
inchikey: PXFDQFDPXWHEEP-UHFFFAOYSA-M
broader: CHEMONTID_0003977
in scheme: Conceptschema Chemische Stoffen
notation: benzDC1yC8yl

nonylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 27936-43-2
cas number: 25154-52-3
formula: C15H23KO
inchi: InChI=1S/C15H24O.K/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1
iupac name: potassium 2-nonylphenolate @en
pubchem: 168739
smiles: CCCCCCCCCC1=CC=CC=C1[O-].[K+]
inchikey: XPCLSVISJWLKJE-UHFFFAOYSA-M
is referenced by: WAC IV A 001
is referenced by: WAC IV A 005
broader: CHEMONTID_0002536
in scheme: Conceptschema Chemische Stoffen
notation: C9yFol

pymetrozine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 123312-89-0
formula: C10H11N5O
inchi: InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+
iupac name: 6-methyl-4-(pyridin-3-ylmethylideneamino)-2,5-dihydro-1,2,4-triazin-3-one @en
pubchem: 9576037
smiles: CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2
inchikey: QHMTXANCGGJZRX-WUXMJOGZSA-N
broader: CHEMONTID_0004107
in scheme: Conceptschema Chemische Stoffen
notation: pymtzne

polybuteen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 172345-47-0
cas number: 25038-50-0
cas number: 106-98-9
cas number: 61788-35-0
cas number: 9003-28-5
cas number: 33004-02-3
cas number: 25167-67-3
cas number: 54366-07-3
cas number: 1735-75-7
formula: C4H8
inchi: InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
iupac name: But-1-ene @en
pubchem: 7844
smiles: CCC=C
inchikey: VXNZUUAINFGPBY-UHFFFAOYSA-N
alternative label: 1-buteen
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: polC4e

1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7226-23-5
formula: C6H12N2O
inchi: InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
iupac name: 1,3-dimethyl-1,3-diazinan-2-one @en
pubchem: 81646
smiles: CN1CCCN(C1=O)C
inchikey: GUVUOGQBMYCBQP-UHFFFAOYSA-N
alternative label: 1,3-dimethyl-3,4,5,6-tetrahydro-2(1h)-pyrimidinon
broader: CHEMONTID_0000291
in scheme: Conceptschema Chemische Stoffen
notation: 13DC1yT4H21H

tris(2-chloor-1-(chloormethyl)ethyl)fosfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 13674-87-8
formula: C9H15Cl6O4P
inchi: InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
iupac name: tris(1,3-dichloropropan-2-yl) phosphate @en
pubchem: 26177
smiles: C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
inchikey: ASLWPAWFJZFCKF-UHFFFAOYSA-N
alternative label: tris-(1,3-dichloor-2-propyl)-fosfaat
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: tris2Cl1ClC1

chloorthiofos I
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 21923-23-9
cas number: 51052-59-6
formula: C11H15Cl2O3PS2
iupac name: (2,5-dichloro-4-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane @en
pubchem: 30859
smiles: CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)SC)Cl
inchikey: JAZJVWLGNLCNDD-UHFFFAOYSA-N
alternative label: chloorthiofos i
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: CltofsI

trioxymethyleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 110-88-3
cas number: 113783-48-5
formula: C3H6O3
inchi: InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
iupac name: 1,3,5-Trioxane @en
pubchem: 8081
smiles: C1OCOCO1
inchikey: BGJSXRVXTHVRSN-UHFFFAOYSA-N
broader: CHEMONTID_0001853
in scheme: Conceptschema Chemische Stoffen
notation: TOxC1ye

1,2-benzeendiamine dihydrochloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 615-28-1
formula: C6H10Cl2N2
inchi: InChI=1S/C6H8N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;2*1H
iupac name: benzene-1,2-diamine dihydrochloride @en
pubchem: 11990
smiles: C1=CC=C(C(=C1)N)N.Cl.Cl
inchikey: RIIWUGSYXOBDMC-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 12BenDAeDHCl

pentabroombenzylalcohol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 79415-41-1
formula: C7H3Br5O
inchi: InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
iupac name: (2,3,4,5,6-pentabromophenyl)methanol @en
pubchem: 2733946
smiles: C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
inchikey: KKWHDMUCBWSKGL-UHFFFAOYSA-N
broader: CHEMONTID_0000033
in scheme: Conceptschema Chemische Stoffen

fluazinam
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 79622-59-6
cas number: 113015-31-9
formula: C13H4Cl2F6N4O4
iupac name: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine @en
pubchem: 91731
smiles: C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
inchikey: UZCGKGPEKUCDTF-UHFFFAOYSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: fluaznm

C14-C18 en C16-C18 onverzadigd alkylamine-ethoxylaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68155-39-5
formula: C18H37NO
iupac name: (E)-16-ethoxyhexadec-9-en-1-amine @en
pubchem: 6437490
smiles: CCOCCCCCCC=CCCCCCCCCN
inchikey: OOBSUSUFVSSVFU-GQCTYLIASA-N
alternative label: c14-c18 en c16-c18 onverzadigd alkylamine-ethoxylaat
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: C14C18C16C18

osmium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7440-04-2
formula: Os
inchi: InChI=1S/Os
iupac name: OSMIUM @en
pubchem: 23937
smiles: [Os]
inchikey: SYQBFIAQOQZEGI-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Os

1,2-dichloortetrafluorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1320-37-2
cas number: 76-14-2
formula: C2Cl2F4
inchi: InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8
iupac name: 1,2-Dichloro-1,1,2,2-tetrafluoroethane @en
pubchem: 6429
smiles: C(C(F)(F)Cl)(F)(F)Cl
inchikey: DDMOUSALMHHKOS-UHFFFAOYSA-N
broader: CHEMONTID_0004521
in scheme: Conceptschema Chemische Stoffen
notation: CFK114

monoethylhexylftalaat (MEHP)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 4376-20-9
formula: C16H22O4
inchi: InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
iupac name: 2-(2-ethylhexoxycarbonyl)benzoic acid @en
pubchem: 20393
smiles: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O
inchikey: DJDSLBVSSOQSLW-UHFFFAOYSA-N
alternative label: monoethylhexylftalaat (mehp)
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: MEHP

alfa-linoleenzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1955-33-5
cas number: 85392-75-2
cas number: 463-40-1
cas number: 28290-79-1
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+
iupac name: ['Octadeca-9,12,15-trienoic acid', '(9E,12E,15E)-octadeca-9,12,15-trienoic acid'] @en
pubchem: 5282822
smiles: CCC=CCC=CCC=CCCCCCCCC(=O)O
inchikey: DTOSIQBPPRVQHS-IUQGRGSQSA-N
broader: CHEMONTID_0000504
in scheme: Conceptschema Chemische Stoffen
notation: alnlzr

hexachloorfeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8054-98-6
cas number: 139411-96-4
cas number: 70-30-4
formula: C13H6Cl6O2
inchi: InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
iupac name: 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol @en
pubchem: 3598
inchikey: ACGUYXCXAPNIKK-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: HxClfn

rhodanine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 38895-62-4
cas number: 6913-23-1
cas number: 141-84-4
formula: C3H3NOS2
inchi: InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
iupac name: 2-sulfanylidene-1,3-thiazolidin-4-one @en
pubchem: 8860
smiles: C1C(=O)N=C(S1)S
inchikey: KIWUVOGUEXMXSV-UHFFFAOYSA-N
broader: CHEMONTID_0001923
in scheme: Conceptschema Chemische Stoffen
notation: rhodnne

2,4-dichloortolueen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-73-8
formula: C7H6Cl2
inchi: InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
iupac name: 2,4-Dichloro-1-methylbenzene @en
pubchem: 7254
smiles: CC1=C(C=C(C=C1)Cl)Cl
inchikey: FUNUTBJJKQIVSY-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 24DClTol

octadecaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 8039-52-9
cas number: 82497-27-6
cas number: 134503-33-6
cas number: 8039-53-0
cas number: 8039-51-8
cas number: 57-11-4
cas number: 8037-40-9
cas number: 30399-84-9
cas number: 68937-76-8
cas number: 57485-56-0
cas number: 8037-83-0
cas number: 8023-06-1
cas number: 8039-54-1
cas number: 8013-28-3
cas number: 39390-61-9
cas number: 58392-66-8
cas number: 126539-56-8
cas number: 609343-71-7
cas number: 85404-83-7
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
iupac name: Octadecanoic acid @en
pubchem: 5281
smiles: CCCCCCCCCCCCCCCCCC(=O)O
inchikey: QIQXTHQIDYTFRH-UHFFFAOYSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: C18azr

perfluorpentaansulfonzuur (pfpes)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2706-91-4
formula: C5HF11O3S
inchi: InChI=1S/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)
iupac name: 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid @en
pubchem: 75922
inchikey: ACEKLXZRZOWKRY-UHFFFAOYSA-N
alternative label: perfluor-n-pentaansulfonzuur
alternative label: perfluor-1-pentaansulfonzuur
alternative label: perfluor-n-pentaansulfonzuur (pfpes)
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
notation: PFPeS
notation: PFC5asfzr

som 1,2,5,6,9,10-hexabroomcyclododecaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3194-55-6
cas number: 23774-70-1
formula: C12H18Br6
inchi: InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2
iupac name: 1,2,5,6,9,10-HEXABROMOCYCLODODECANE @en
pubchem: 18529
smiles: C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br
inchikey: DEIGXXQKDWULML-UHFFFAOYSA-N
alternative label: hexabroomcyclododecaan (hbcd)
alternative label: hexabroomcyclododecaan
broader: CHEMONTID_0001515
in scheme: Conceptschema Chemische Stoffen
notation: sHBCD

fosfor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7723-14-0
formula: P
inchi: InChI=1S/P
iupac name: Phosphorus @en
pubchem: 5462309
smiles: [P]
inchikey: OAICVXFJPJFONN-UHFFFAOYSA-N
is referenced by: WAC III C 010
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen

4-methoxybenzaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 26249-15-0
cas number: 68894-36-0
cas number: 123-11-5
cas number: 50984-52-6
formula: C8H8O2
inchi: InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
iupac name: 4-Methoxybenzaldehyde @en
pubchem: 31244
smiles: COC1=CC=C(C=C1)C=O
inchikey: ZRSNZINYAWTAHE-UHFFFAOYSA-N
broader: CHEMONTID_0000321
in scheme: Conceptschema Chemische Stoffen
notation: 4C1oxbzAh

3,5-dimethylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 108-68-9
cas number: 50356-23-5
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
iupac name: 3,5-Dimethylphenol @en
pubchem: 7948
smiles: CC1=CC(=CC(=C1)O)C
inchikey: TUAMRELNJMMDMT-UHFFFAOYSA-N
broader: CHEMONTID_0001273
in scheme: Conceptschema Chemische Stoffen
notation: 35DC1yFol

glimepiride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 93479-97-1
formula: C24H34N4O5S
inchi: InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)
pubchem: 3476
inchikey: WIGIZIANZCJQQY-UHFFFAOYSA-N
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: glimprde

6-fenyldodecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2719-62-2
formula: C18H30
inchi: InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3
iupac name: dodecan-6-ylbenzene @en
pubchem: 17629
smiles: CCCCCCC(CCCCC)C1=CC=CC=C1
inchikey: ZYHJQFMTTFCBKH-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 6FyC12a

bis(2-chloorethyl)ethenylfosfonaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 115-98-0
cas number: 122681-86-1
cas number: 53569-58-7
formula: C6H11Cl2O3P
inchi: InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2
iupac name: 1-[bis(2-chloroethoxy)phosphoryl]ethene @en
pubchem: 8296
smiles: C=CP(=O)(OCCCl)OCCCl
inchikey: LHHMNJZNWUJFOC-UHFFFAOYSA-N
broader: CHEMONTID_0003893
in scheme: Conceptschema Chemische Stoffen
notation: bis2ClC2yetn

cis-13-Docosenamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 112-84-5
cas number: 116749-29-2
cas number: 80399-99-1
cas number: 93050-58-9
formula: C22H43NO
iupac name: (Z)-Docos-13-enamide @en
pubchem: 5365371
smiles: CCCCCCCCC=CCCCCCCCCCCCC(=O)N
inchikey: UAUDZVJPLUQNMU-KTKRTIGZSA-N
alternative label: cis-13-docosenamide
broader: CHEMONTID_0000331
in scheme: Conceptschema Chemische Stoffen
notation: c13C22eAd

2-broom-1-(4-hydroxyfenyl)ethaan-1-on
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2491-38-5
formula: C8H7BrO2
inchi: InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2
iupac name: 2-bromo-1-(4-hydroxyphenyl)ethanone @en
pubchem: 4964
smiles: C1=CC(=CC=C1C(=O)CBr)O
inchikey: LJYOFQHKEWTQRH-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: 2Br14HOFyC2a

promecarb
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 31677-56-2
cas number: 2631-37-0
cas number: 4111-89-1
formula: C12H17NO2
inchi: InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
iupac name: (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate @en
pubchem: 17516
smiles: CC1=CC(=CC(=C1)OC(=O)NC)C(C)C
inchikey: DTAPQAJKAFRNJB-UHFFFAOYSA-N
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: promcb

osmium tetraoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7446-13-1
cas number: 12060-19-4
cas number: 20816-12-0
formula: O4Os
inchi: InChI=1S/4O.Os
iupac name: tetraoxoosmium @en
pubchem: 30318
smiles: O=[Os](=O)(=O)=O
inchikey: VUVGYHUDAICLFK-UHFFFAOYSA-N
broader: CHEMONTID_0000538
in scheme: Conceptschema Chemische Stoffen
notation: OsT4O

chlooramfenicol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 56-75-7
cas number: 579-51-1
formula: C11H12Cl2N2O5
iupac name: 2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide @en
pubchem: 298
smiles: C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
inchikey: WIIZWVCIJKGZOK-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: Clafncl

natriumcyanide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 25596-52-5
cas number: 143-33-9
cas number: 13998-03-3
formula: CNNa
inchi: InChI=1S/CN.Na/c1-2;/q-1;+1
iupac name: Sodium cyanide @en
pubchem: 8929
smiles: [C-]#N.[Na+]
inchikey: MNWBNISUBARLIT-UHFFFAOYSA-N
broader: CHEMONTID_0000525
in scheme: Conceptschema Chemische Stoffen
notation: NaCN

natriumcarbonaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1332-57-6
cas number: 497-19-8
formula: CNa2O3
inchi: InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
iupac name: Disodium carbonate @en
pubchem: 10340
smiles: C(=O)([O-])[O-].[Na+].[Na+]
inchikey: CDBYLPFSWZWCQE-UHFFFAOYSA-L
broader: CHEMONTID_0001521
in scheme: Conceptschema Chemische Stoffen
notation: Na2CO3

isopropenylbenzeen (alfa-methylstyreen)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II bijl. 4.4.2
cas number: 42612-14-6
cas number: 25014-31-7
cas number: 98-83-9
formula: C9H10
inchi: InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
iupac name: prop-1-en-2-ylbenzene @en
pubchem: 7407
smiles: CC(=C)C1=CC=CC=C1
inchikey: XYLMUPLGERFSHI-UHFFFAOYSA-N
is referenced by: LUC IV 001
is referenced by: LUC IV 000
is referenced by: LUC IV 011
alternative label: alfa-methylstyreen
broader: CHEMONTID_0000045
in scheme: Conceptschema Chemische Stoffen
notation: aC1ysrn

diltiazem
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 42399-41-7
formula: C22H26N2O4S
inchi: InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
iupac name: [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate @en
pubchem: 39186
inchikey: HSUGRBWQSSZJOP-RTWAWAEBSA-N
broader: CHEMONTID_0000317
in scheme: Conceptschema Chemische Stoffen
notation: diltazm

quetiapine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 111974-69-7
formula: C21H25N3O2S
inchi: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
iupac name: 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol @en
pubchem: 5002
inchikey: URKOMYMAXPYINW-UHFFFAOYSA-N
broader: CHEMONTID_0000055
in scheme: Conceptschema Chemische Stoffen
notation: quetpne

citronellol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 106-22-9
cas number: 1117-61-9
formula: C10H20O
inchi: InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
iupac name: (3R)-3,7-dimethyloct-6-en-1-ol @en
pubchem: 101977
smiles: CC(CCC=C(C)C)CCO
inchikey: QMVPMAAFGQKVCJ-SNVBAGLBSA-N
broader: CHEMONTID_0001127
in scheme: Conceptschema Chemische Stoffen
notation: citnll

tetrabroomdifenylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 40088-47-9
cas number: 115633-92-6
cas number: 82458-12-6
formula: C12H6Br4O
inchi: InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H
iupac name: 1,2,3-tribromo-4-(4-bromophenoxy)benzene @en
pubchem: 38386
smiles: C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br
inchikey: ARERIMFZYPFJAV-UHFFFAOYSA-N
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen

chloorquinedifosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 50-63-5
cas number: 6384-82-3
cas number: 69698-56-2
formula: C18H32ClN3O8P2
inchi: InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)
iupac name: N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine; phosphoric acid @en
pubchem: 64927
smiles: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
inchikey: QKICWELGRMTQCR-UHFFFAOYSA-N
broader: CHEMONTID_0004537
in scheme: Conceptschema Chemische Stoffen
notation: ClqnDFO4

perfluor-n-nonaansulfonzuur (pfns)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68259-12-1
formula: C9HF19O3S
inchi: InChI=1S/C9HF19O3S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31/h(H,29,30,31)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonic acid @en
pubchem: 86998
inchikey: MNEXVZFQQPKDHC-UHFFFAOYSA-N
alternative label: perfluornonaan-1-sulfonzuur
alternative label: perfluor-n-nonaansulfonzuur
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
notation: PFNS
notation: PFC9asfzr

1-dodecylpyridinium chloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 104-74-5
cas number: 104-73-4
cas number: 138870-69-6
formula: C17H30ClN
inchi: InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1
iupac name: 1-dodecylpyridin-1-ium chloride @en
pubchem: 7717
smiles: CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
inchikey: GKQHIYSTBXDYNQ-UHFFFAOYSA-M
broader: CHEMONTID_0001764
in scheme: Conceptschema Chemische Stoffen
notation: 1C12yprdnCl

alfa-endosulfan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 33213-66-0
cas number: 959-98-8
cas number: 12640-58-3
cas number: 19595-59-6
cas number: 29106-31-8
formula: C9H6Cl6O3S
inchi: InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m1/s1
iupac name: (2R,8S,9R)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide @en
pubchem: 6433227
inchikey: RDYMFSUJUZBWLH-GDSHQCHSSA-N
broader: CHEMONTID_0002074
in scheme: Conceptschema Chemische Stoffen
notation: aedsfn

1-methyl-1h-imidazool-2-carbaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 13750-81-7
formula: C5H6N2O
inchi: InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3
iupac name: 1-methylimidazole-2-carbaldehyde @en
pubchem: 139575
smiles: CN1C=CN=C1C=O
inchikey: UEBFLTZXUXZPJO-UHFFFAOYSA-N
alternative label: 1-methyl-1H-imidazool-2-carbaldehyde
broader: CHEMONTID_0003213
in scheme: Conceptschema Chemische Stoffen
notation: 1C1y1Himdz2c

chloormefos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 24934-91-6
formula: C5H12ClO2PS2
inchi: InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3
iupac name: chloromethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
pubchem: 32739
smiles: CCOP(=S)(OCC)SCCl
inchikey: QGTYWWGEWOBMAK-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: Clmfs

barban
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 101-27-9
formula: C11H9Cl2NO2
inchi: InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
iupac name: 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate @en
pubchem: 7551
smiles: C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl
inchikey: MCOQHIWZJUDQIC-UHFFFAOYSA-N
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
notation: barbn

demeton-S
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 126-75-0
formula: C8H19O3PS2
inchi: InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
pubchem: 24723
smiles: CCOP(=O)(OCC)SCCSCC
inchikey: GRPRVIYRYGLIJU-UHFFFAOYSA-N
alternative label: demeton-s
broader: CHEMONTID_0001438
in scheme: Conceptschema Chemische Stoffen
notation: demtnS

3,4-methyleendioxymethamfetamine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 69610-10-2
cas number: 42542-10-9
cas number: 54946-52-0
formula: C11H15NO2
inchi: InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
iupac name: 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine @en
pubchem: 1615
smiles: CC(CC1=CC2=C(C=C1)OCO2)NC
inchikey: SHXWCVYOXRDMCX-UHFFFAOYSA-N
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: 34C1yeDoxmaf

p,p’-ddd
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 72-54-8
formula: C14H10Cl4
inchi: InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
iupac name: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene @en
pubchem: 6294
inchikey: AHJKRLASYNVKDZ-UHFFFAOYSA-N
alternative label: pp'dichloordifenyldichloorethaan
alternative label: 4,4'-dichloordifenyldichloorethaan
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 44DDD

fenoterol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13392-18-2
formula: C17H22BrNO4
inchi: InChI=1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H
iupac name: [2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium bromide @en
pubchem: 16037
smiles: CC(CC1=CC=C(C=C1)O)[NH2+]CC(C2=CC(=CC(=C2)O)O)O.[Br-]
inchikey: SGZRQMALQBXAIQ-UHFFFAOYSA-N
broader: CHEMONTID_0000188
in scheme: Conceptschema Chemische Stoffen
notation: fentrl

bromuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3408-97-7
formula: C9H11BrN2O
inchi: InChI=1S/C9H11BrN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
iupac name: 3-(4-bromophenyl)-1,1-dimethylurea @en
pubchem: 18870
smiles: CN(C)C(=O)NC1=CC=C(C=C1)Br
inchikey: GSNZNZUNAJCHDO-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: brmrn

citral
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 37350-34-8
cas number: 96680-15-8
cas number: 8022-94-4
cas number: 141-27-5
cas number: 5392-40-5
formula: C10H16O
inchi: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
iupac name: ['(2E)-3,7-dimethylocta-2,6-dienal', '3,7-dimethylocta-2,6-dienal'] @en
pubchem: 638011
smiles: CC(=CCCC(=CC=O)C)C
inchikey: WTEVQBCEXWBHNA-JXMROGBWSA-N
broader: CHEMONTID_0001127
in scheme: Conceptschema Chemische Stoffen
notation: citl

10:2 fluortelomeersulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 120226-60-0
formula: C12H5F21O3S
inchi: InChI=1S/C12H5F21O3S/c13-3(14,1-2-37(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2,(H,34,35,36)
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulfonic acid @en
pubchem: 23136180
inchikey: AJMAYLFJZQYRHN-UHFFFAOYSA-N
broader: CHEMONTID_0001179
in scheme: Conceptschema Chemische Stoffen
notation: 10:2 FTS

aldicarbsulfoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1646-87-3
formula: C7H14N2O3S
inchi: InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
iupac name: [(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate @en
pubchem: 9568700
smiles: CC(C)(C=NOC(=O)NC)S(=O)C
inchikey: BXPMAGSOWXBZHS-WEVVVXLNSA-N
broader: CHEMONTID_0004752
in scheme: Conceptschema Chemische Stoffen
notation: alDcSO

dimethylftalaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 131-11-3
cas number: 64441-70-9
formula: C10H10O4
inchi: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
iupac name: dimethyl benzene-1,2-dicarboxylate @en
pubchem: 8554
smiles: COC(=O)C1=CC=CC=C1C(=O)OC
inchikey: NIQCNGHVCWTJSM-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC1yFt

9-fluorenon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 486-25-9
formula: C13H8O
inchi: InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
iupac name: Fluoren-9-one @en
pubchem: 10241
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C2=O
inchikey: YLQWCDOCJODRMT-UHFFFAOYSA-N
broader: CHEMONTID_0000020
in scheme: Conceptschema Chemische Stoffen
notation: 9fluornn

norfluoxetine hydrochloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 57226-68-3
cas number: 56161-73-0
formula: C16H17ClF3NO
inchi: InChI=1S/C16H16F3NO.ClH/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12;/h1-9,15H,10-11,20H2;1H
iupac name: 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride @en
pubchem: 151371
inchikey: GMTWWEPBGGXBTO-UHFFFAOYSA-N
broader: CHEMONTID_0004551
in scheme: Conceptschema Chemische Stoffen
notation: norfoxtneHCL

temefos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 53320-58-4
cas number: 3383-96-8
formula: C16H20O6P2S3
inchi: InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3
pubchem: 5392
inchikey: WWJZWCUNLNYYAU-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: temfs

indaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 496-11-7
cas number: 56573-11-6
formula: C9H10
inchi: InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
iupac name: 2,3-Dihydro-1H-indene @en
pubchem: 10326
smiles: C1CC2=CC=CC=C2C1
inchikey: PQNFLJBBNBOBRQ-UHFFFAOYSA-N
broader: CHEMONTID_0000027
in scheme: Conceptschema Chemische Stoffen
notation: inda

dimethoxymethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 109-87-5
formula: C3H8O2
inchi: InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3
iupac name: Dimethoxymethane @en
pubchem: 8020
smiles: COCOC
inchikey: NKDDWNXOKDWJAK-UHFFFAOYSA-N
broader: CHEMONTID_0001656
in scheme: Conceptschema Chemische Stoffen
notation: DC1oxC1a

bromoxynil butyraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3861-41-4
formula: C11H9Br2NO2
inchi: InChI=1S/C11H9Br2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3
iupac name: (2,6-dibromo-4-cyanophenyl) butanoate @en
pubchem: 62526
smiles: CCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br
inchikey: PGMZYNZXIYOOHJ-UHFFFAOYSA-N
broader: CHEMONTID_0002319
in scheme: Conceptschema Chemische Stoffen
notation: bromxnbtrt

diisopropylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 108-18-9
formula: C6H15N
inchi: InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3
iupac name: N-propan-2-ylpropan-2-amine @en
pubchem: 7912
smiles: CC(C)NC(C)C
inchikey: UAOMVDZJSHZZME-UHFFFAOYSA-N
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: DiC3yAe

4-tertiair-butylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 98-54-4
formula: C10H14O
inchi: InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
iupac name: 4-tert-Butylphenol @en
pubchem: 7393
smiles: CC(C)(C)C1=CC=C(C=C1)O
inchikey: QHPQWRBYOIRBIT-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 4ttC4yFol

N,N-diethylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 91-66-7
formula: C10H15N
inchi: InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
iupac name: N,N-Diethylaniline @en
pubchem: 7061
smiles: CCN(CC)C1=CC=CC=C1
inchikey: GGSUCNLOZRCGPQ-UHFFFAOYSA-N
alternative label: n,n-diethylaniline
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: NNDC2yAn

dimethirimol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 5221-53-4
formula: C11H19N3O
inchi: InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
iupac name: 5-butyl-2-dimethylamino-6-methyl-1H-pyrimidin-4-one @en
pubchem: 21290
smiles: CCCCC1=C(NC(=NC1=O)N(C)C)C
inchikey: CJHXCRMKMMBYJQ-UHFFFAOYSA-N
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: Dmtrml

c.i. direct blue 6
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 179472-56-1
cas number: 116675-43-5
cas number: 2602-46-2
formula: C32H20N6Na4O14S4
iupac name: tetrasodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate @en
pubchem: 9570116
inchikey: HOPRIFATEWRIEO-YSKRITFZSA-J
alternative label: C.I. Direct Blue 6
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: cidbe6

triapentenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 76608-88-3
formula: C15H25N3O
inchi: InChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h9-12,14,19H,4-8H2,1-3H3/b13-9+
iupac name: ['1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol', '(E)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol'] @en
pubchem: 6437842
smiles: CC(C)(C)C(C(=CC1CCCCC1)N2C=NC=N2)O
inchikey: CNFMJLVJDNGPHR-UKTHLTGXSA-N
broader: CHEMONTID_0000099
in scheme: Conceptschema Chemische Stoffen
notation: Taptnl

1,3,5-triisopropylbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 717-74-8
cas number: 27322-34-5
formula: C15H24
inchi: InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
iupac name: 1,3,5-tri(propan-2-yl)benzene @en
pubchem: 12860
smiles: CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C
inchikey: VUMCUSHVMYIRMB-UHFFFAOYSA-N
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: 135TiC3yBen

1-methyl-4-(1-methylethenyl)-,(s)-cyclohexeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 5989-54-8
formula: C10H16
inchi: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
iupac name: (4S)-1-methyl-4-prop-1-en-2-ylcyclohexene @en
pubchem: 439250
smiles: CC1=CCC(CC1)C(=C)C
inchikey: XMGQYMWWDOXHJM-SNVBAGLBSA-N
alternative label: 1-methyl-4-(1-methylethenyl)-,(S)-cyclohexeen
broader: CHEMONTID_0001401
in scheme: Conceptschema Chemische Stoffen
notation: 1C1y41C1yetn

triacontaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 638-68-6
formula: C30H62
iupac name: TRIACONTANE @en
pubchem: 12535
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: JXTPJDDICSTXJX-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C30a

pentylbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 538-68-1
cas number: 74296-33-6
cas number: 27458-20-4
formula: C11H16
inchi: InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
iupac name: Pentylbenzene @en
pubchem: 10864
smiles: CCCCCC1=CC=CC=C1
inchikey: PWATWSYOIIXYMA-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: C5yBen

di-(2-methoxyethyl)ftalaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 117-82-8
formula: C14H18O6
inchi: InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
iupac name: bis(2-methoxyethyl) benzene-1,2-dicarboxylate @en
pubchem: 8344
smiles: COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
inchikey: HSUIVCLOAAJSRE-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: D2C1oxC2yFt

ethirimol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 23947-60-6
formula: C11H19N3O
inchi: InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)
iupac name: 5-butyl-2-ethylamino-6-methyl-1H-pyrimidin-4-one @en
pubchem: 32152
smiles: CCCCC1=C(NC(=NC1=O)NCC)C
inchikey: BBXXLROWFHWFQY-UHFFFAOYSA-N
broader: CHEMONTID_0004161
in scheme: Conceptschema Chemische Stoffen
notation: etrml

metoprolol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 54163-88-1
cas number: 51384-51-1
cas number: 37350-58-6
formula: C15H25NO3
inchi: InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
iupac name: 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
pubchem: 4171
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O
inchikey: IUBSYMUCCVWXPE-UHFFFAOYSA-N
broader: CHEMONTID_0000139
in scheme: Conceptschema Chemische Stoffen
notation: metpll

4-nitrosodifenylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 156-10-5
formula: C12H10N2O
inchi: InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
iupac name: 4-Nitroso-N-phenylaniline @en
pubchem: 9074
smiles: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O
inchikey: OIJHFHYPXWSVPF-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 4NO2sDFyAe

calcium 47
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14391-99-2
formula: Ca
inchi: InChI=1S/Ca/i1+7
iupac name: calcium-47 @en
pubchem: 6335803
smiles: [Ca]
inchikey: OYPRJOBELJOOCE-RKEGKUSMSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Ca47

diethylnitrosamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 55-18-5
formula: C4H10N2O
inchi: InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
iupac name: N,N-diethylnitrous amide @en
pubchem: 5921
smiles: CCN(CC)N=O
inchikey: WBNQDOYYEUMPFS-UHFFFAOYSA-N
broader: CHEMONTID_0004777
in scheme: Conceptschema Chemische Stoffen
notation: DC2yNOAe

isopropylpalmitaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 142-91-6
formula: C19H38O2
inchi: InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
iupac name: propan-2-yl hexadecanoate @en
pubchem: 8907
smiles: CCCCCCCCCCCCCCCC(=O)OC(C)C
inchikey: XUGNVMKQXJXZCD-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: iC3ypmtt

pentadecaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1002-84-2
formula: C15H30O2
inchi: InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
iupac name: Pentadecanoic acid @en
pubchem: 13849
smiles: CCCCCCCCCCCCCCC(=O)O
inchikey: WQEPLUUGTLDZJY-UHFFFAOYSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: C15azr

3,5,5-trimethyl-1-hexanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 201404-81-1
cas number: 3452-97-9
cas number: 140237-16-7
formula: C9H20O
inchi: InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
iupac name: 3,5,5-Trimethylhexan-1-ol @en
pubchem: 18938
smiles: CC(CCO)CC(C)(C)C
inchikey: BODRLKRKPXBDBN-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 355TC1y1C6ol

2,4-d 2-ethyl-4-methylpentyl ester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 53404-37-8
formula: C16H22Cl2O3
inchi: InChI=1S/C16H22Cl2O3/c1-4-12(7-11(2)3)9-21-16(19)10-20-15-6-5-13(17)8-14(15)18/h5-6,8,11-12H,4,7,9-10H2,1-3H3
iupac name: (2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate @en
pubchem: 62039
smiles: CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
inchikey: FWXSAXJNSVIOLZ-UHFFFAOYSA-N
alternative label: 2,4-D 2-ethyl-4-methylpentyl ester
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: 24D2C2y4C1yC

thorium 229
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15594-54-4
formula: Th
inchi: InChI=1S/Th/i1-3
iupac name: thorium-229 @en
pubchem: 167312
smiles: [Th]
inchikey: ZSLUVFAKFWKJRC-OIOBTWANSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Th229

ethosuximide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 77-67-8
formula: C7H11NO2
inchi: InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)
iupac name: 3-Ethyl-3-methylpyrrolidine-2,5-dione @en
pubchem: 3291
smiles: CCC1(CC(=O)NC1=O)C
inchikey: HAPOVYFOVVWLRS-UHFFFAOYSA-N
broader: CHEMONTID_0003031
in scheme: Conceptschema Chemische Stoffen
notation: etsimde

benzeenazijnzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 103-82-2
cas number: 51146-16-8
formula: C8H8O2
inchi: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
iupac name: 2-Phenylacetic acid @en
pubchem: 999
smiles: C1=CC=C(C=C1)CC(=O)O
inchikey: WLJVXDMOQOGPHL-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: BenHAc

monensin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 22136-43-2
cas number: 17090-79-8
formula: C36H61NaO11
inchi: InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-;/m0./s1
iupac name: sodium (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate @en
pubchem: 5484043
inchikey: XOIQMTLWECTKJL-PDHYURILSA-M
broader: CHEMONTID_0004472
in scheme: Conceptschema Chemische Stoffen
notation: monsn

n-propyl-1-butaanamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 20193-21-9
formula: C7H17N
inchi: InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3
iupac name: N-propylbutan-1-amine @en
pubchem: 88399
smiles: CCCCNCCC
inchikey: CWYZDPHNAGSFQB-UHFFFAOYSA-N
alternative label: N-propyl-1-butaanamine
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: NC3y1C4aAe

2,6-dinitrotolueen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 606-20-2
formula: C7H6N2O4
inchi: InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
iupac name: 2-Methyl-1,3-dinitrobenzene @en
pubchem: 11813
smiles: CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]
inchikey: XTRDKALNCIHHNI-UHFFFAOYSA-N
broader: CHEMONTID_0003969
in scheme: Conceptschema Chemische Stoffen
notation: 26DNO2Tol

2,2',4,4',5,5'-hexabroombifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 67774-32-7
cas number: 59080-40-9
formula: C12H4Br6
inchi: InChI=1S/C12H4Br6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
iupac name: 1,2,4-tribromo-5-(2,4,5-tribromophenyl)benzene @en
pubchem: 42948
inchikey: HMBBJSKXDBUNNT-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: PBB153

3-methylhexaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 116502-45-5
cas number: 589-34-4
formula: C7H16
inchi: InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
iupac name: 3-Methylhexane @en
pubchem: 11507
smiles: CCCC(C)CC
inchikey: VLJXXKKOSFGPHI-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yC6a

cefixim
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 79350-37-1
formula: C16H15N5O7S2
inchi: InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1
iupac name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid @en
pubchem: 5362065
inchikey: OKBVVJOGVLARMR-QSWIMTSFSA-N
broader: CHEMONTID_0000173
in scheme: Conceptschema Chemische Stoffen
notation: cefxm

aldosteron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52-39-1
cas number: 152-04-5
cas number: 10328-70-8
formula: C21H28O5
inchi: InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
iupac name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde @en
pubchem: 5839
inchikey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: aldtrn

broomchloorazijnzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 5589-96-8
formula: C2H2BrClO2
inchi: InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)
iupac name: 2-bromo-2-chloroacetic acid @en
pubchem: 542762
smiles: C(C(=O)O)(Cl)Br
inchikey: GEHJBWKLJVFKPS-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: BrClHAc

1,4-butaandioldiglycidylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 162786-24-5
cas number: 29611-97-0
cas number: 2425-79-8
cas number: 134498-52-5
cas number: 152618-32-1
cas number: 83138-98-1
cas number: 54350-59-3
cas number: 139074-76-3
formula: C10H18O4
inchi: InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
iupac name: 2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane @en
pubchem: 17046
smiles: C1C(O1)COCCCCOCC2CO2
inchikey: SHKUUQIDMUMQQK-UHFFFAOYSA-N
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
notation: 14C4aDoDgcdE

jopanoïnezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 96-83-3
formula: C11H12I3NO2
inchi: InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
iupac name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid @en
pubchem: 3735
smiles: CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O
inchikey: OIRFJRBSRORBCM-UHFFFAOYSA-N
broader: CHEMONTID_0002551
in scheme: Conceptschema Chemische Stoffen
notation: jopninzr

sulfamethizol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 144-82-1
formula: C9H10N4O2S2
inchi: InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
iupac name: 4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide @en
pubchem: 5328
smiles: CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
inchikey: VACCAVUAMIDAGB-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: sulfmtzl

cyaanguanidine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 139351-77-2
cas number: 461-58-5
cas number: 157480-33-6
cas number: 125148-58-5
cas number: 139351-78-3
formula: C2H4N4
inchi: InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
iupac name: 2-Cyanoguanidine @en
pubchem: 10005
smiles: C(#N)N=C(N)N
inchikey: QGBSISYHAICWAH-UHFFFAOYSA-N
broader: CHEMONTID_0000375
in scheme: Conceptschema Chemische Stoffen
notation: CNgandne

tetrafluoretheen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 9014-83-9
cas number: 116-14-3
formula: C2F4
inchi: InChI=1S/C2F4/c3-1(4)2(5)6
iupac name: 1,1,2,2-tetrafluoroethene @en
pubchem: 8301
smiles: C(=C(F)F)(F)F
inchikey: BFKJFAAPBSQJPD-UHFFFAOYSA-N
broader: CHEMONTID_0002861
in scheme: Conceptschema Chemische Stoffen
notation: T4FC2e

dinatriumoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 37382-45-9
cas number: 1313-59-3
formula: Na2O
inchi: InChI=1S/2Na.O/q2*+1;-2
iupac name: disodium oxygen(-2) anion @en
pubchem: 73971
smiles: [O-2].[Na+].[Na+]
inchikey: KKCBUQHMOMHUOY-UHFFFAOYSA-N
broader: CHEMONTID_0000526
in scheme: Conceptschema Chemische Stoffen
notation: Na2O

thallium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'
comment: VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'
comment: VLAR III (D3, diverse art) 'Tl'
comment: VLAR II bijl. 2.5.2 'thallium'
comment: VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)
cas number: 82870-81-3
cas number: 113835-49-7
cas number: 7440-28-0
formula: Tl
inchi: InChI=1S/Tl
iupac name: THALLIUM @en
pubchem: 5359464
smiles: [Tl]
inchikey: BKVIYDNLLOSFOA-UHFFFAOYSA-N
is referenced by: LUC I 002
is referenced by: LUC III 010
broader: CHEMONTID_0000427
definition: thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)
in scheme: Conceptschema Chemische Stoffen
notation: Tl

2-ethyl-1-hexanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 111675-57-1
cas number: 704-76-7
cas number: 104-76-7
formula: C8H18O
inchi: InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
iupac name: 2-Ethylhexan-1-ol @en
pubchem: 7720
smiles: CCCCC(CC)CO
inchikey: YIWUKEYIRIRTPP-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 2C2y1C6ol

lithium carbonaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 10377-37-4
cas number: 12767-19-0
cas number: 554-13-2
cas number: 216964-61-3
formula: CLi2O3
inchi: InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
iupac name: Dilithium carbonate @en
pubchem: 11125
smiles: [Li+].[Li+].C(=O)([O-])[O-]
inchikey: XGZVUEUWXADBQD-UHFFFAOYSA-L
broader: CHEMONTID_0001521
in scheme: Conceptschema Chemische Stoffen
notation: LiCO3

5-acetyl-1,1,2,3,3,6-hexamethylindaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15323-35-0
cas number: 55599-08-1
cas number: 64058-43-1
formula: C17H24O
inchi: InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3
iupac name: 1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone @en
pubchem: 47167
inchikey: VDBHOHJWUDKDRW-UHFFFAOYSA-N
broader: CHEMONTID_0000027
in scheme: Conceptschema Chemische Stoffen
notation: AHMI

2-chloor-6-nitroaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 769-11-9
formula: C6H5ClN2O2
inchi: InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2
iupac name: 2-Chloro-6-nitroaniline @en
pubchem: 69855
smiles: C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-]
inchikey: VOTXWUCYIOPNNR-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl6NO2An

glyoxaal
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 40094-65-3
cas number: 107-22-2
cas number: 83513-30-8
cas number: 9005-91-8
formula: C2H2O2
inchi: InChI=1S/C2H2O2/c3-1-2-4/h1-2H
iupac name: oxaldehyde @en
pubchem: 7860
smiles: C(=O)C=O
inchikey: LEQAOMBKQFMDFZ-UHFFFAOYSA-N
broader: CHEMONTID_0002230
in scheme: Conceptschema Chemische Stoffen
notation: glyoxl

methomyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 16752-77-5
cas number: 19928-35-9
formula: C5H10N2O2S
inchi: InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+
iupac name: (1-methylsulfanylethylideneamino) N-methylcarbamate @en
pubchem: 5353758
smiles: CC(=NOC(=O)NC)SC
inchikey: UHXUZOCRWCRNSJ-QPJJXVBHSA-N
broader: CHEMONTID_0002285
in scheme: Conceptschema Chemische Stoffen
notation: metml

2,4',5-trichloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 16606-02-3
cas number: 63439-93-0
formula: C12H7Cl3
inchi: InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H
iupac name: 1,4-dichloro-2-(4-chlorophenyl)benzene @en
pubchem: 27960
smiles: C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl
inchikey: VAHKBZSAUKPEOV-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB31

rocuronium bromide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 119302-91-9
formula: C32H53BrN2O4
inchi: InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1
iupac name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide @en
pubchem: 441351
inchikey: OYTJKRAYGYRUJK-FMCCZJBLSA-M
broader: CHEMONTID_0001691
in scheme: Conceptschema Chemische Stoffen
notation: rocrnBr

nonylfenolhexaethoxylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 27177-01-1
formula: C27H48O7
inchi: InChI=1S/C27H48O7/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28/h9-10,12-13,28H,2-8,11,14-25H2,1H3
pubchem: 168665
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCO
inchikey: TWIMUEGVLWNOMO-UHFFFAOYSA-N
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen
notation: NPEO6

1-undeceen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68526-57-8
cas number: 821-95-4
cas number: 10-01-5
formula: C11H22
inchi: InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
iupac name: undec-1-ene @en
pubchem: 13190
smiles: CCCCCCCCCC=C
inchikey: DCTOHCCUXLBQMS-UHFFFAOYSA-N
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 1C11e

2,2',3,3',4,4',5,5',6,6'-decabroomdiphenylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 145538-74-5
cas number: 109945-70-2
cas number: 1163-19-5
formula: C12Br10O
inchi: InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
iupac name: 1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene @en
pubchem: 14410
inchikey: WHHGLZMJPXIBIX-UHFFFAOYSA-N
alternative label: bde 209
alternative label: decabroomdifenylether (bde209)
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen
notation: PBDE209

natriumhydroxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1310-73-2
cas number: 8012-01-9
formula: HNaO
inchi: InChI=1S/Na.H2O/h;1H2/q+1;/p-1
iupac name: SODIUM HYDROXIDE @en
pubchem: 14798
smiles: [OH-].[Na+]
inchikey: HEMHJVSKTPXQMS-UHFFFAOYSA-M
broader: CHEMONTID_0001270
in scheme: Conceptschema Chemische Stoffen
notation: NaOH

glufosinaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 82785-28-2
cas number: 106917-54-8
cas number: 118336-14-4
cas number: 77182-82-2
cas number: 51276-47-2
formula: C5H15N2O4P
inchi: InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3
iupac name: azanium 2-amino-4-(hydroxy-methylphosphoryl)butanoate @en
pubchem: 53597
smiles: CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]
inchikey: ZBMRKNMTMPPMMK-UHFFFAOYSA-N
alternative label: glufosinaat-ammonium
broader: CHEMONTID_0002404
in scheme: Conceptschema Chemische Stoffen
notation: glufsntNH4
notation: glufsnt

chloraat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14866-68-3
cas number: 13932-10-0
formula: ClO3-
inchi: InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1
iupac name: Chlorate @en
pubchem: 104770
smiles: [O-]Cl(=O)=O
inchikey: XTEGARKTQYYJKE-UHFFFAOYSA-M
alternative label: chloortrioxide
broader: CHEMONTID_0001049
in scheme: Conceptschema Chemische Stoffen
notation: ClO3
notation: ClTO

2,2',3,5'-tetrachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 41464-39-5
cas number: 70362-46-8
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H
iupac name: 1,2-dichloro-3-(2,5-dichlorophenyl)benzene @en
pubchem: 38875
inchikey: ALDJIKXAHSDLLB-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB44

heptaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 111-14-8
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
iupac name: Heptanoic acid @en
pubchem: 8094
smiles: CCCCCCC(=O)O
inchikey: MNWFXJYAOYHMED-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: C7azr

2,2'-methyliminodiethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 511262-76-3
cas number: 105-59-9
formula: C5H13NO2
inchi: InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3
iupac name: 2-(2-hydroxyethyl-methylamino)ethanol @en
pubchem: 7767
smiles: CN(CCO)CCO
inchikey: CRVGTESFCCXCTH-UHFFFAOYSA-N
broader: CHEMONTID_0001897
in scheme: Conceptschema Chemische Stoffen
notation: 22C1yimnDC2o

2-chloor-4-nitroaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 121-87-9
formula: C6H5ClN2O2
inchi: InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
iupac name: 2-Chloro-4-nitroaniline @en
pubchem: 8492
smiles: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
inchikey: LOCWBQIWHWIRGN-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl4NO2An

1,3-dichloor-1,1,2,2,3-pentafluorpropaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 507-55-1
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H
iupac name: 1,3-Dichloro-1,1,2,2,3-pentafluoropropane @en
pubchem: 62353
smiles: C(C(C(F)(F)Cl)(F)F)(F)Cl
inchikey: UJIGKESMIPTWJH-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225cb

pyrifenox
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 88283-41-4
formula: C14H12Cl2N2O
inchi: InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-
iupac name: 1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine @en
pubchem: 6023583
smiles: CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl
inchikey: CKPCAYZTYMHQEX-JXAWBTAJSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: pyrfnx

2,2'-dimethyl-2,2'-azodipropiononitril
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 39322-24-2
cas number: 76012-28-7
cas number: 80748-81-8
cas number: 78-67-1
cas number: 58449-80-2
cas number: 67035-64-7
cas number: 95210-41-6
cas number: 34241-39-9
formula: C8H12N4
inchi: InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3
iupac name: 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile @en
pubchem: 6547
smiles: CC(C)(C#N)N=NC(C)(C)C#N
inchikey: OZAIFHULBGXAKX-UHFFFAOYSA-N
broader: CHEMONTID_0000410
in scheme: Conceptschema Chemische Stoffen
notation: 22DC1y22aDpp

decaanzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 334-48-5
cas number: 52627-73-3
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
iupac name: Decanoic acid @en
pubchem: 2969
smiles: CCCCCCCCCC(=O)O
inchikey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: C10azr

flurenol-butyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2314-09-2
formula: C18H18O3
inchi: InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3
iupac name: Butyl 9-hydroxyfluorene-9-carboxylate @en
pubchem: 40816
smiles: CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O
inchikey: PSGPXWYGJGGEEG-UHFFFAOYSA-N
broader: CHEMONTID_0000020
in scheme: Conceptschema Chemische Stoffen
notation: flurnC4y

carbadox
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6804-07-5
cas number: 39310-25-3
formula: C11H10N4O4
inchi: InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7,18H,1H3
iupac name: ['methyl N-[(E)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(Z)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methylimino]carbamate'] @en
pubchem: 2553
smiles: COC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-]
inchikey: BPMVRAQIQQEBLN-UHFFFAOYSA-N
broader: CHEMONTID_0000486
in scheme: Conceptschema Chemische Stoffen
notation: carbdx

2,3,3',4,4',5'-hexachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 69782-90-7
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H
iupac name: 1,2,3-trichloro-5-(2,3,4-trichlorophenyl)benzene @en
pubchem: 50891
inchikey: YTWXDQVNPCIEOX-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: PCB 157
alternative label: pcb 157
alternative label: 2,3,3',4,4',5'-hexachloorbifenyl (pcb157)
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB157

2-(4-broom-2,5-dimethoxyfenyl) ethylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 66142-81-2
formula: C10H14BrNO2
inchi: InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
iupac name: 2-(4-bromo-2,5-dimethoxyphenyl)ethanamine @en
pubchem: 98527
smiles: COC1=CC(=C(C=C1CCN)OC)Br
inchikey: YMHOBZXQZVXHBM-UHFFFAOYSA-N
broader: CHEMONTID_0004111
in scheme: Conceptschema Chemische Stoffen
notation: 24Br25DC1oxF

2,3-dichloorpropanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 616-23-9
cas number: 82890-22-0
formula: C3H6Cl2O
inchi: InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2
iupac name: 2,3-Dichloropropan-1-ol @en
pubchem: 12018
smiles: C(C(CCl)Cl)O
inchikey: ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
broader: CHEMONTID_0002608
in scheme: Conceptschema Chemische Stoffen
notation: 23DClC3ol

1,2-dichloor-1,1,2,3,3-pentafluorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 422-44-6
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-2(8,1(6)7)3(5,9)10/h1H
iupac name: 1,2-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE @en
pubchem: 61110
smiles: C(C(C(F)(F)Cl)(F)Cl)(F)F
inchikey: GDSQRBLILFKERU-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225bb

cythioaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 115-93-5
formula: C8H12NO5PS2
inchi: InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)
iupac name: 4-dimethoxyphosphinothioyloxybenzenesulfonamide @en
pubchem: 8293
smiles: COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N
inchikey: BSBSDQUZDZXGFN-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: cytoat

1,3-dicyclohexylureum
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2387-23-7
formula: C13H24N2O
inchi: InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
iupac name: 1,3-Dicyclohexylurea @en
pubchem: 4277
smiles: C1CCC(CC1)NC(=O)NC2CCCCC2
inchikey: 7847
broader: CHEMONTID_0000517
in scheme: Conceptschema Chemische Stoffen
notation: 13DccC6yurum

avermectin B1a
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 65195-55-3
formula: C48H72O14
inchi: InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
iupac name: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one @en
pubchem: 6434889
inchikey: RRZXIRBKKLTSOM-XPNPUAGNSA-N
alternative label: avermectin b1a
broader: CHEMONTID_0000147
in scheme: Conceptschema Chemische Stoffen
notation: acmtnB1a

octamethyltetrasiloxaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1000-05-1
formula: C8H24O3Si4
inchi: InChI=1S/C8H24O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h1-8H3
iupac name: 1,1,3,3,5,5,7,7-Octamethyltetrasiloxane @en
pubchem: 6328651
smiles: C[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C
inchikey: ILBWBNOBGCYGSU-UHFFFAOYSA-N
broader: CHEMONTID_0004446
in scheme: Conceptschema Chemische Stoffen
notation: OcC1yT4slxn

2,3,4,6,7,8-hexachloordibenzofuraan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 60851-34-5
formula: C12H2Cl6O
inchi: InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H
iupac name: 2,3,4,6,7,8-HEXACHLORODIBENZOFURAN @en
pubchem: 43495
inchikey: XTAHLACQOVXINQ-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 2,3,4,6,7,8-hexachloordibenzofuran
alternative label: 2,3,4,6,7,8-hexachloordibenzofuraan (hxcdf)
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF130

trans-1,2-dichloorpropeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7069-38-7
formula: C3H4Cl2
inchi: InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2+
iupac name: ['1,2-dichloroprop-1-ene', '(E)-1,2-dichloroprop-1-ene'] @en
pubchem: 5366870
smiles: CC(=CCl)Cl
inchikey: PPKPKFIWDXDAGC-NSCUHMNNSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: t12DClC3e

dipropylftalaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 131-16-8
formula: C14H18O4
inchi: InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
iupac name: dipropyl benzene-1,2-dicarboxylate @en
pubchem: 8559
smiles: CCCOC(=O)C1=CC=CC=C1C(=O)OCCC
inchikey: MQHNKCZKNAJROC-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC3yFt

metabenzthiazuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 18691-97-9
formula: C10H11N3OS
inchi: InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)
iupac name: 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea @en
pubchem: 29216
smiles: CNC(=O)N(C)C1=NC2=CC=CC=C2S1
inchikey: RRVIAQKBTUQODI-UHFFFAOYSA-N
alternative label: methabenzthiazuron
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: metbtazrn

perfluorbutaansulfonamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 30334-69-1
formula: C4H2F9NO2S
inchi: InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
iupac name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide @en
pubchem: 10958205
inchikey: FUVKFLJWBHVMHX-UHFFFAOYSA-N
broader: CHEMONTID_0003966
in scheme: Conceptschema Chemische Stoffen
notation: PFBSA

octaanzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68937-74-6
cas number: 18312-04-4
cas number: 124-07-2
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
iupac name: octanoic acid @en
pubchem: 379
smiles: CCCCCCCC(=O)O
inchikey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: C8azr

3-nitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 99-09-2
cas number: 12262-63-4
formula: C6H6N2O2
inchi: InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
iupac name: 3-Nitroaniline @en
pubchem: 7423
smiles: C1=CC(=CC(=C1)[N+](=O)[O-])N
inchikey: XJCVRTZCHMZPBD-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 3NO2An

4-methyl-1-penteen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 691-37-2
cas number: 25068-26-2
cas number: 44390-46-7
formula: C6H12
inchi: InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3
iupac name: 4-Methylpent-1-ene @en
pubchem: 12724
smiles: CC(C)CC=C
inchikey: WSSSPWUEQFSQQG-UHFFFAOYSA-N
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 4C1y1C5e

halfenprox
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 111872-58-3
formula: C24H23BrF2O3
inchi: InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3
iupac name: 1-(bromo-difluoromethoxy)-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene @en
pubchem: 10140464
inchikey: WIFXJBMOTMKRMM-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: halepx

barium 140
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14798-08-4
formula: Ba
inchi: InChI=1S/Ba/i1+3
iupac name: barium-140 @en
pubchem: 6335490
smiles: [Ba]
inchikey: DSAJWYNOEDNPEQ-AKLPVKDBSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Ba140

chloorflurenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2464-37-1
formula: C14H9ClO3
inchi: InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)
iupac name: 2-CHLORO-9-HYDROXYFLUORENE-9-CARBOXYLIC ACID @en
pubchem: 17169
inchikey: SVOAUHHKPGKPQK-UHFFFAOYSA-N
broader: CHEMONTID_0000020
in scheme: Conceptschema Chemische Stoffen
notation: clfrnl

metoxuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 19937-59-8
formula: C10H13ClN2O2
inchi: InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)
iupac name: 3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylurea @en
pubchem: 29863
smiles: CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl
inchikey: DSRNRYQBBJQVCW-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: metxrn

2,2'-dichloorbenzidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 84-68-4
formula: C12H10Cl2N2
inchi: InChI=1S/C12H10Cl2N2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1-6H,15-16H2
iupac name: 4-(4-amino-2-chlorophenyl)-3-chloroaniline @en
pubchem: 66538
smiles: C1=CC(=C(C=C1N)Cl)C2=C(C=C(C=C2)N)Cl
inchikey: XKXPBJBODVHDAW-UHFFFAOYSA-N
alternative label: 2,2’-dichloorbenzidine
broader: CHEMONTID_0003955
in scheme: Conceptschema Chemische Stoffen
notation: 22DClbzdne

fluormetholon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 426-13-1
formula: C22H29FO4
inchi: InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1
iupac name: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 9878
inchikey: FAOZLTXFLGPHNG-KNAQIMQKSA-N
broader: CHEMONTID_0001468
in scheme: Conceptschema Chemische Stoffen
notation: Fmtln

4-methyloctaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2216-34-4
formula: C9H20
inchi: InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
iupac name: 4-Methyloctane @en
pubchem: 16665
smiles: CCCCC(C)CCC
inchikey: DOGIHOCMZJUJNR-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 4C1yC8a

difethialon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 104653-34-1
formula: C31H23BrO2S
inchi: InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2
iupac name: 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxythiochromen-4-one @en
pubchem: 91771
inchikey: VSVAQRUUFVBBFS-UHFFFAOYSA-N
broader: CHEMONTID_0002044
in scheme: Conceptschema Chemische Stoffen
notation: Dftiln

benzaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 100-52-7
formula: C7H6O
inchi: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
iupac name: BENZALDEHYDE @en
pubchem: 240
smiles: C1=CC=C(C=C1)C=O
inchikey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
broader: CHEMONTID_0000321
in scheme: Conceptschema Chemische Stoffen
notation: BenAh

1,2,3,4-tetrachloorbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 634-66-2
cas number: 63697-20-1
cas number: 13280-72-3
formula: C6H2Cl4
inchi: InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
iupac name: 1,2,3,4-Tetrachlorobenzene @en
pubchem: 12463
smiles: C1=CC(=C(C(=C1Cl)Cl)Cl)Cl
inchikey: GBDZXPJXOMHESU-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: 1234T4ClBen

perfluoroctaanzuur, ammoniumzout
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 95328-99-7
cas number: 3825-26-1
cas number: 77751-76-9
formula: C8H4F15NO2
inchi: InChI=1S/C8HF15O2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3
iupac name: azane; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid @en
pubchem: 62525
inchikey: YOALFLHFSFEMLP-UHFFFAOYSA-N
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFOA_NH4

tris(2-ethylhexyl)fosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 78-42-2
formula: C24H51O4P
inchi: InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
iupac name: ['Tris(2-ethylhexyl) phosphate', 'tris(2-ethylhexoxy)-hydroxyphosphanium'] @en
pubchem: 6537
inchikey: GTVWRXDRKAHEAD-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: tris2C2yC6yP

validamycine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 37248-47-8
formula: C20H35NO13
inchi: InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
iupac name: (2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol @en
pubchem: 443629
inchikey: JARYYMUOCXVXNK-CSLFJTBJSA-N
broader: CHEMONTID_0002207
in scheme: Conceptschema Chemische Stoffen
notation: valdmcne

2-ethylhexylnitraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 27247-96-7
formula: C8H17NO3
inchi: InChI=1S/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3
iupac name: 2-Ethylhexyl nitrate @en
pubchem: 62823
smiles: CCCCC(CC)CO[N+](=O)[O-]
inchikey: NKRVGWFEFKCZAP-UHFFFAOYSA-N
broader: CHEMONTID_0004091
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yC6yNO3

neburon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 555-37-3
formula: C12H16Cl2N2O
inchi: InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
iupac name: 1-Butyl-3-(3,4-dichlorophenyl)-1-methylurea @en
pubchem: 11145
smiles: CCCCN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
inchikey: CCGPUGMWYLICGL-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: nebrn

florfenicol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 73231-34-2
cas number: 81588-76-3
cas number: 76639-94-6
formula: C12H14Cl2FNO4S
iupac name: 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide @en
pubchem: 114811
inchikey: AYIRNRDRBQJXIF-NXEZZACHSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: florfncl

malathion
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 11096-67-6
cas number: 121-75-5
formula: C10H19O6PS2
inchi: InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
iupac name: diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate @en
pubchem: 4004
smiles: CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
inchikey: JXSJBGJIGXNWCI-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: malton

pirimicarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 23103-98-2
formula: C11H18N4O2
inchi: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
iupac name: (2-dimethylamino-5,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate @en
pubchem: 31645
smiles: CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C
inchikey: YFGYUFNIOHWBOB-UHFFFAOYSA-N
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: pirmcb

1,2-dimethoxyethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 173201-80-4
cas number: 110-71-4
cas number: 24991-55-7
formula: C4H10O2
inchi: InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
iupac name: 1,2-Dimethoxyethane @en
pubchem: 8071
smiles: COCCOC
inchikey: XTHFKEDIFFGKHM-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 12DC1oxC2a

tris-(2-chloorisopropyl)-fosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 215035-31-7
cas number: 13674-84-5
cas number: 76025-08-6
cas number: 16839-32-0
formula: C9H18Cl3O4P
inchi: InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3
iupac name: tris(1-chloropropan-2-yl) phosphate @en
pubchem: 26176
smiles: CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
inchikey: KVMPUXDNESXNOH-UHFFFAOYSA-N
alternative label: tris(1-chloor-2-propyl)fosfaat
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: TClC3yPO4

etofibraat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 56775-91-8
cas number: 31637-97-5
formula: C18H19Cl2NO5
inchi: InChI=1S/C18H18ClNO5.ClH/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13;/h3-9,12H,10-11H2,1-2H3;1H
iupac name: 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate hydrochloride @en
pubchem: 3017044
inchikey: SMQMWHHMXSBKEP-UHFFFAOYSA-N
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: etfbt

4-chloor-3-nitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 89-60-1
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
iupac name: 1-Chloro-4-methyl-2-nitrobenzene @en
pubchem: 6976
smiles: CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
inchikey: NWESJZZPAJGHRZ-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl3NO2Tol

diazomethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 334-88-3
formula: CH2N2
inchi: InChI=1S/CH2N2/c1-3-2/h1H2
iupac name: DIAZOMETHANE @en
pubchem: 9550
smiles: C=[N+]=[N-]
inchikey: YXHKONLOYHBTNS-UHFFFAOYSA-N
broader: CHEMONTID_0003688
in scheme: Conceptschema Chemische Stoffen
notation: DazC1a

hexachloorbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 118-74-1
formula: C6Cl6
inchi: InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
iupac name: 1,2,3,4,5,6-hexachlorobenzene @en
pubchem: 8370
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
inchikey: CKAPSXZOOQJIBF-UHFFFAOYSA-N
alternative label: hexachloorbenzeen (hcb)
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: HCB

thiobencarb
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 28249-77-6
formula: C12H16ClNOS
inchi: InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
iupac name: S-[(4-chlorophenyl)methyl] diethylaminomethanethioate @en
pubchem: 34192
smiles: CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl
inchikey: QHTQREMOGMZHJV-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: tobcb

1-nitropyreen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 5522-43-0
cas number: 63021-86-3
formula: C16H9NO2
inchi: InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
iupac name: 1-Nitropyrene @en
pubchem: 21694
inchikey: ALRLPDGCPYIVHP-UHFFFAOYSA-N
broader: CHEMONTID_0001851
in scheme: Conceptschema Chemische Stoffen
notation: 1NO2Pyr

pyrimethanil
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 53112-28-0
formula: C12H13N3
inchi: InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
iupac name: 4,6-dimethyl-N-phenylpyrimidin-2-amine @en
pubchem: 91650
smiles: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
inchikey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: pyrmtnl

buturon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 3766-60-7
formula: C12H13ClN2O
inchi: InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)
iupac name: 1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea @en
pubchem: 19587
smiles: CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl
inchikey: BYYMILHAKOURNM-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: butrn

1-(butylheptyl)-benzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 4537-15-9
formula: C17H28
inchi: InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
iupac name: undecan-5-ylbenzene @en
pubchem: 20661
smiles: CCCCCCC(CCCC)C1=CC=CC=C1
inchikey: RRPCXIBGXYGQNC-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 1C4yC7yBen

epsilon-caprolactam
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2953-03-9
cas number: 32838-23-6
cas number: 168214-28-6
cas number: 105-60-2
cas number: 32838-21-4
cas number: 117955-36-9
cas number: 34876-18-1
formula: C6H11NO
inchi: InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
iupac name: azepan-2-one @en
pubchem: 7768
smiles: C1CCC(=O)NCC1
inchikey: JBKVHLHDHHXQEQ-UHFFFAOYSA-N
broader: CHEMONTID_0000163
in scheme: Conceptschema Chemische Stoffen
notation: ecapltm

lynestrenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 52-76-6
formula: C20H28O
inchi: InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
iupac name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol @en
pubchem: 5857
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=CCCCC34
inchikey: YNVGQYHLRCDXFQ-XGXHKTLJSA-N
broader: CHEMONTID_0001466
in scheme: Conceptschema Chemische Stoffen
notation: lyntnl

daidzeine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 486-66-8
formula: C15H10O4
inchi: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
iupac name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one @en
pubchem: 5281708
smiles: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
inchikey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N
broader: CHEMONTID_0000494
in scheme: Conceptschema Chemische Stoffen
notation: daizine

azamethifos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 51274-12-5
cas number: 59217-99-1
cas number: 35575-96-3
formula: C9H10ClN2O5PS
iupac name: 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one @en
pubchem: 71482
smiles: COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O
inchikey: VNKBTWQZTQIWDV-UHFFFAOYSA-N
broader: CHEMONTID_0002118
in scheme: Conceptschema Chemische Stoffen
notation: azmtfs

4-chloor-2-methylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-69-2
cas number: 87999-30-2
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
iupac name: 4-Chloro-2-methylaniline @en
pubchem: 7251
smiles: CC1=C(C=CC(=C1)Cl)N
inchikey: CXNVOWPRHWWCQR-UHFFFAOYSA-N
alternative label: 4-chloor-2-methylaniline (p-chloor-o-toluidine)
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl2C1yAn

bifenthrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 92880-79-0
cas number: 82657-04-3
formula: C23H22ClF3O2
inchi: InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-
iupac name: ['(2-methyl-3-phenylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '(2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate'] @en
pubchem: 5281872
inchikey: OMFRMAHOUUJSGP-UNOMPAQXSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: biftn

chloridazon (pyrazon)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1698-60-8
cas number: 58858-18-7
formula: C10H8ClN3O
inchi: InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
iupac name: 5-amino-4-chloro-2-phenylpyridazin-3-one @en
pubchem: 15546
smiles: C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl
inchikey: WYKYKTKDBLFHCY-UHFFFAOYSA-N
alternative label: chloridazon
broader: CHEMONTID_0000208
in scheme: Conceptschema Chemische Stoffen
notation: Clidzn

perfluor-n-hexaanzuur (pfhxa)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 307-24-4
formula: C6HF11O2
inchi: InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
iupac name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid @en
pubchem: 67542
inchikey: PXUULQAPEKKVAH-UHFFFAOYSA-N
alternative label: perfluorhexaanzuur
alternative label: perfluor-n-hexaanzuur
alternative label: perfluorhexaanzuur (pfhxa)
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFHxA

cashmeran
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 155667-06-4
cas number: 33704-61-9
formula: C14H22O
inchi: InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3
iupac name: 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one @en
pubchem: 92292
smiles: CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
inchikey: MIZGSAALSYARKU-UHFFFAOYSA-N
broader: CHEMONTID_0004325
in scheme: Conceptschema Chemische Stoffen
notation: DPMI

fullereen c60
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 99685-96-8
formula: C60
inchi: InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59
iupac name: (C60-Ih)[5,6]fullerene @en
pubchem: 123591
inchikey: XMWRBQBLMFGWIX-UHFFFAOYSA-N
alternative label: fullereen C60
broader: CHEMONTID_0000518
in scheme: Conceptschema Chemische Stoffen
notation: fullrnC60

ijzer (driewaardig)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 20074-52-6
formula: Fe+3
inchi: InChI=1S/Fe/q+3
iupac name: iron(+3) cation @en
pubchem: 29936
smiles: [Fe+3]
inchikey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: FeIII

PCB 123
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 65510-44-3
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H
iupac name: 1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene @en
pubchem: 47650
inchikey: YAHNWSSFXMVPOU-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: pcb 123
alternative label: 2,3',4,4',5'-pentachloorbifenyl
alternative label: 2',3,4,4',5-pentachloorbifenyl (pcb123)
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB123

koolstof
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7440-44-0
formula: C
inchi: InChI=1S/C
iupac name: Carbon @en
pubchem: 5462310
smiles: [C]
inchikey: OKTJSMMVPCPJKN-UHFFFAOYSA-N
is referenced by: BOC versie 2.1
is referenced by: WAC III D 050
is referenced by: LUC IV 011
is referenced by: LUC IV 012
is referenced by: CMA 2 II A.7
is referenced by: CMA 1 A.6
is referenced by: LUC IV 000
broader: CHEMONTID_0000000
in scheme: Conceptschema Chemische Stoffen
notation: C

6-o-monoacetylmorfine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2784-73-8
formula: C19H21NO4
inchi: InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
iupac name: [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate @en
pubchem: 5462507
inchikey: JJGYGPZNTOPXGV-SSTWWWIQSA-N
broader: CHEMONTID_0000058
in scheme: Conceptschema Chemische Stoffen
notation: 6oMactmfne

pentanochloor
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2307-68-8
formula: C13H18ClNO
inchi: InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)
iupac name: N-(3-Chloro-4-methylphenyl)-2-methylpentanamide @en
pubchem: 16826
smiles: CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl
inchikey: WGVWLKXZBUVUAM-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: PenCl

n-butylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1126-78-9
formula: C10H15N
inchi: InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
iupac name: N-Butylaniline @en
pubchem: 14310
smiles: CCCCNC1=CC=CC=C1
inchikey: VSHTWPWTCXQLQN-UHFFFAOYSA-N
alternative label: N-butylaniline
broader: CHEMONTID_0003924
in scheme: Conceptschema Chemische Stoffen
notation: NC4yAn

pentobarbital
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 76-74-4
formula: C11H18N2O3
inchi: InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
iupac name: 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione @en
pubchem: 4737
smiles: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC
inchikey: WEXRUCMBJFQVBZ-UHFFFAOYSA-N
broader: CHEMONTID_0000291
in scheme: Conceptschema Chemische Stoffen
notation: pentbbtl

hexamethylcyclotrisiloxaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 541-05-9
formula: C6H18O3Si3
inchi: InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3
iupac name: 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane @en
pubchem: 10914
smiles: C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C
inchikey: HTDJPCNNEPUOOQ-UHFFFAOYSA-N
broader: CHEMONTID_0004445
in scheme: Conceptschema Chemische Stoffen
notation: HxC1yccTslxn

o,p’-ddt
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 58633-26-4
cas number: 789-02-6
formula: C14H9Cl5
inchi: InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H
iupac name: 1-chloro-4-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene @en
pubchem: 13089
inchikey: CVUGPAFCQJIYDT-UHFFFAOYSA-N
alternative label: 2,4'-dichloordifenyltrichloorethaan
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 24DDT

4,4'-dichloordifenylsulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 80-07-9
cas number: 85228-26-8
formula: C12H8Cl2O2S
inchi: InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
iupac name: 1-chloro-4-(4-chlorophenyl)sulfonylbenzene @en
pubchem: 6625
smiles: C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl
inchikey: GPAPPPVRLPGFEQ-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: 44DClDFysfn

fenylhydrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 100-63-0
cas number: 27140-08-5
cas number: 59-88-1
formula: C6H9ClN2
inchi: InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H
iupac name: PHENYLHYDRAZINE HYDROCHLORIDE @en
pubchem: 60962
smiles: C1=CC=C(C=C1)NN.Cl
inchikey: JOVOSQBPPZZESK-UHFFFAOYSA-N
broader: CHEMONTID_0000113
in scheme: Conceptschema Chemische Stoffen
notation: Fyhdzne

o-desmethylmetoprolol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 62572-94-5
formula: C14H23NO3
inchi: InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3
iupac name: 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
pubchem: 162181
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCO)O
inchikey: CUKXSBOAIJILRY-UHFFFAOYSA-N
broader: CHEMONTID_0000139
in scheme: Conceptschema Chemische Stoffen
notation: odC1ymtpll

2-nafthyloxyazijnzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 120-23-0
formula: C12H10O3
inchi: InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
iupac name: 2-naphthalen-2-yloxyacetic acid @en
pubchem: 8422
smiles: C1=CC=C2C=C(C=CC2=C1)OCC(=O)O
inchikey: RZCJYMOBWVJQGV-UHFFFAOYSA-N
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: 2NyOxHac

tributoxyethylfosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 119166-98-2
cas number: 31227-66-4
cas number: 19040-50-7
cas number: 78-51-3
formula: C18H39O7P
inchi: InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
iupac name: Tris(2-butoxyethyl) phosphate @en
pubchem: 6540
smiles: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
inchikey: WTLBZVNBAKMVDP-UHFFFAOYSA-N
alternative label: tris(2-butoxyethyl)fosfaat
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: tris2C4oxC2y

imazethapyr
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 81335-77-5
formula: C15H19N3O3
inchi: InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)
iupac name: 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid @en
pubchem: 54740
inchikey: XVOKUMIPKHGGTN-UHFFFAOYSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: imztpr

dipropylnitrosamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 621-64-7
formula: C6H14N2O
inchi: InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3
iupac name: N,N-dipropylnitrous amide @en
pubchem: 12130
smiles: CCCN(CCC)N=O
inchikey: YLKFDHTUAUWZPQ-UHFFFAOYSA-N
broader: CHEMONTID_0004777
in scheme: Conceptschema Chemische Stoffen
notation: DC3yNOAe

fenuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 101-42-8
formula: C9H12N2O
inchi: InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
iupac name: 1,1-Dimethyl-3-phenylurea @en
pubchem: 7560
smiles: CN(C)C(=O)NC1=CC=CC=C1
inchikey: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: fenrn

isobutylstearaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 646-13-9
formula: C22H44O2
inchi: InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3
iupac name: 2-Methylpropyl octadecanoate @en
pubchem: 12588
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(C)C
inchikey: ORFWYUFLWUWSFM-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: IC4ysart

dimethyldifenyleendisulfide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 103-19-5
formula: C14H14S2
inchi: InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3
iupac name: 1-methyl-4-(4-methylphenyl)disulfanylbenzene @en
pubchem: 66027
smiles: CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C
inchikey: TZOVOULUMXXLOJ-UHFFFAOYSA-N
broader: CHEMONTID_0001091
in scheme: Conceptschema Chemische Stoffen
notation: DC1yDFyeDS

levothyroxine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 51-48-9
cas number: 300-30-1
formula: C15H11I4NO4
inchi: InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)
iupac name: 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid @en
pubchem: 853
inchikey: XUIIKFGFIJCVMT-UHFFFAOYSA-N
broader: CHEMONTID_0004321
in scheme: Conceptschema Chemische Stoffen
notation: levtrxne

ethiofencarbsulfoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 53380-22-6
formula: C11H15NO3S
inchi: InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)
iupac name: [2-(ethylsulfinylmethyl)phenyl] N-methylcarbamate @en
pubchem: 3035207
smiles: CCS(=O)CC1=CC=CC=C1OC(=O)NC
inchikey: OMOLDRXZKFFGJI-UHFFFAOYSA-N
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: etofcbSO

triclocarban
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 101-20-2
formula: C13H9Cl3N2O
inchi: InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
iupac name: 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea @en
pubchem: 7547
inchikey: ICUTUKXCWQYESQ-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: Tccbn

guanylureum
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 591-01-5
cas number: 141-83-3
formula: C4H14N8O6S
inchi: InChI=1S/2C2H6N4O.H2O4S/c2*3-1(4)6-2(5)7;1-5(2,3)4/h2*(H6,3,4,5,6,7);(H2,1,2,3,4)
iupac name: diaminomethylideneurea;sulfuric acid @en
pubchem: 11555
smiles: C(=NC(=O)N)(N)N.C(=NC(=O)N)(N)N.OS(=O)(=O)O
inchikey: IATXFPUBPMZBPH-UHFFFAOYSA-N
broader: CHEMONTID_0001180
in scheme: Conceptschema Chemische Stoffen
notation: guanurum

medinoterbacetaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2487-01-6
formula: C13H16N2O6
inchi: InChI=1S/C13H16N2O6/c1-7-9(14(17)18)6-10(15(19)20)12(21-8(2)16)11(7)13(3,4)5/h6H,1-5H3
iupac name: (2-tert-butyl-3-methyl-4,6-dinitrophenyl) acetate @en
pubchem: 17212
smiles: CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)C(C)(C)C
inchikey: GZJNBGYLANALSV-UHFFFAOYSA-N
broader: CHEMONTID_0003969
in scheme: Conceptschema Chemische Stoffen
notation: medntactt

methyl-2-methylbutyraat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 868-57-5
cas number: 53955-81-0
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
iupac name: METHYL 2-METHYLBUTANOATE @en
pubchem: 13357
smiles: CCC(C)C(=O)OC
inchikey: OCWLYWIFNDCWRZ-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: C1y2C1ybtrt

chlorimuron-ethyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 90982-32-4
cas number: 94365-91-0
formula: C15H15ClN4O6S
iupac name: ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate @en
pubchem: 56160
inchikey: NSWAMPCUPHPTTC-UHFFFAOYSA-N
broader: CHEMONTID_0004705
in scheme: Conceptschema Chemische Stoffen
notation: chlormrC2y

fenbutatinoxide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13356-08-6
cas number: 57547-75-8
cas number: 12684-28-5
formula: C60H78OSn2
inchi: InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
iupac name: tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane @en
pubchem: 16683004
inchikey: HOXINJBQVZWYGZ-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: fenbtSnO

propaquizafop
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 111479-05-1
formula: C22H22ClN3O5
inchi: InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3
iupac name: 2-(propan-2-ylideneamino)oxyethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate @en
pubchem: 86122
inchikey: FROBCXTULYFHEJ-UHFFFAOYSA-N
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: propqzfp

2,3,4,6-tetrachloorfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 12698-64-5
cas number: 58-90-2
formula: C6H2Cl4O
inchi: InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
iupac name: 2,3,4,6-Tetrachlorophenol @en
pubchem: 6028
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl
inchikey: VGVRPFIJEJYOFN-UHFFFAOYSA-N
broader: CHEMONTID_0002772
in scheme: Conceptschema Chemische Stoffen
notation: 2346T4ClFol

2-cyclohexen-1-on
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 25512-62-3
cas number: 31830-39-4
cas number: 930-68-7
formula: C6H8O
inchi: InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
iupac name: Cyclohex-2-en-1-one @en
pubchem: 13594
smiles: C1CC=CC(=O)C1
inchikey: FWFSEYBSWVRWGL-UHFFFAOYSA-N
broader: CHEMONTID_0004325
in scheme: Conceptschema Chemische Stoffen
notation: 2ccC6e1on

neptunium 239
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13968-59-7
formula: Np
inchi: InChI=1S/Np/i1+2
iupac name: neptunium-239 @en
pubchem: 104958
smiles: [Np]
inchikey: LFNLGNPSGWYGGD-NJFSPNSNSA-N
in scheme: Conceptschema Chemische Stoffen
notation: Np239

endrin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 72-20-8
formula: C12H8Cl6O
inchi: InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2
iupac name: 3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene @en
pubchem: 3048
inchikey: DFBKLUNHFCTMDC-UHFFFAOYSA-N
broader: CHEMONTID_0001549
in scheme: Conceptschema Chemische Stoffen
notation: endn

nitrosopiperidine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 100-75-4
cas number: 68374-62-9
formula: C5H10N2O
inchi: InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2
iupac name: 1-Nitrosopiperidine @en
pubchem: 7526
smiles: C1CCN(CC1)N=O
inchikey: UWSDONTXWQOZFN-UHFFFAOYSA-N
broader: CHEMONTID_0002442
in scheme: Conceptschema Chemische Stoffen
notation: NOpprdne

dodecylbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 28776-38-7
cas number: 68442-69-3
cas number: 123-01-3
cas number: 29986-57-0
formula: C18H30
inchi: InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
iupac name: Dodecylbenzene @en
pubchem: 31237
smiles: CCCCCCCCCCCCC1=CC=CC=C1
inchikey: KWKXNDCHNDYVRT-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: dodcBen

picloram
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1918-02-1
formula: C6H3Cl3N2O2
inchi: InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)
iupac name: 4-Amino-3,5,6-trichloropyridine-2-carboxylic acid @en
pubchem: 15965
smiles: C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N
inchikey: NQQVFXUMIDALNH-UHFFFAOYSA-N
broader: CHEMONTID_0002414
in scheme: Conceptschema Chemische Stoffen
notation: picrm

2,4-D natrium zout
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 67924-78-1
cas number: 58318-52-8
cas number: 37353-58-5
cas number: 2702-72-9
formula: C8H5Cl2NaO3
inchi: InChI=1S/C8H5Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-8(12)4-11;/h1-3H,4H2;/q-1;+1
iupac name: sodium 2-(2,4-dichlorophenoxy)-2-oxoethanolate @en
pubchem: 17611
smiles: C1=CC(=C(C=C1Cl)Cl)OC(=O)C[O-].[Na+]
inchikey: SFYPSBLCFRKKDT-UHFFFAOYSA-N
alternative label: 2,4-d natrium zout
broader: CHEMONTID_0002319
in scheme: Conceptschema Chemische Stoffen
notation: 24DNazt

didecyldimethylammoniumchloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 126851-24-9
cas number: 7173-51-5
cas number: 154765-32-9
formula: C22H48ClN
inchi: InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
iupac name: didecyl-dimethylazanium chloride @en
pubchem: 23558
smiles: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]
inchikey: RUPBZQFQVRMKDG-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: DDMAC

fenthion-oxon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 6552-12-1
formula: C10H15O4PS
inchi: InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3
iupac name: dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate @en
pubchem: 23046
smiles: CC1=C(C=CC(=C1)OP(=O)(OC)OC)SC
inchikey: ZNRZGJAHNMGWQN-UHFFFAOYSA-N
broader: CHEMONTID_0004742
in scheme: Conceptschema Chemische Stoffen
notation: fentoOon

oleinezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 112-79-8
cas number: 2027-47-6
cas number: 112-80-1
cas number: 1120-45-2
formula: C18H34O2
inchi: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
iupac name: ['(E)-octadec-9-enoic acid', 'octadec-9-enoic acid'] @en
pubchem: 637517
smiles: CCCCCCCCC=CCCCCCCCC(=O)O
inchikey: ZQPPMHVWECSIRJ-MDZDMXLPSA-N
alternative label: trans-9-octadeceenzuur
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: olinzr
notation: t9C18ezr

glyfosaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1071-83-6
cas number: 40465-66-5
formula: C3H8NO5P
inchi: InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
iupac name: 2-(phosphonomethylamino)acetic acid @en
pubchem: 3496
smiles: C(C(=O)O)NCP(=O)(O)O
inchikey: XDDAORKBJWWYJS-UHFFFAOYSA-N
is referenced by: WAC IV A 029
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: glyfst

2,5-dinitrotolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 619-15-8
formula: C7H6N2O4
inchi: InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3
iupac name: 2-Methyl-1,4-dinitrobenzene @en
pubchem: 12075
smiles: CC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
inchikey: KZBOXYKTSUUBTO-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 25DNO2Tol

dinoterb
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1420-07-1
formula: C10H12N2O5
inchi: InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3
iupac name: 2-tert-Butyl-4,6-dinitrophenol @en
pubchem: 14994
smiles: CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
inchikey: IIPZYDQGBIWLBU-UHFFFAOYSA-N
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
notation: Dntb

1-methoxy-2-propanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 58769-19-0
cas number: 107-98-2
formula: C4H10O2
inchi: InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
iupac name: 1-Methoxypropan-2-ol @en
pubchem: 7900
smiles: CC(COC)O
inchikey: ARXJGSRGQADJSQ-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 1C1oxC3ol

sulfotep
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3689-24-5
cas number: 8054-28-2
formula: C8H20O5P2S2
inchi: InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
iupac name: diethoxyphosphinothioyloxy-diethoxy-sulfanylidenephosphorane @en
pubchem: 19395
smiles: CCOP(=S)(OCC)OP(=S)(OCC)OCC
inchikey: XIUROWKZWPIAIB-UHFFFAOYSA-N
broader: CHEMONTID_0001572
in scheme: Conceptschema Chemische Stoffen
notation: sulftp

2,2',3,3',4,4'-hexachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 38380-07-3
cas number: 11096-82-5
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H
iupac name: 1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene @en
pubchem: 38018
inchikey: BTAGRXWGMYTPBY-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB128

trichloronaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 327-98-0
formula: C10H12Cl3O2PS
iupac name: ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane @en
pubchem: 9477
smiles: CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl
inchikey: ANIAQSUBRGXWLS-UHFFFAOYSA-N
broader: CHEMONTID_0004742
in scheme: Conceptschema Chemische Stoffen
notation: TClnt

1-chloor-2,3-epoxypropaan (epichloorhydrine)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 56227-39-5
cas number: 106-89-8
cas number: 9009-12-5
cas number: 13403-37-7
cas number: 6806-86-6
cas number: 36250-81-4
cas number: 109351-74-8
formula: C3H5ClO
inchi: InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
iupac name: 2-(Chloromethyl)oxirane @en
pubchem: 7835
smiles: C1C(O1)CCl
inchikey: BRLQWZUYTZBJKN-UHFFFAOYSA-N
alternative label: 1-chloor-2,3-epoxypropaan(epichloorhydrine)
alternative label: epichloorhydrine
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
notation: epClhdne

imazamox
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 182636-13-1
cas number: 114311-32-9
formula: C15H19N3O4
inchi: InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)
iupac name: 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid @en
pubchem: 86137
inchikey: NUPJIGQFXCQJBK-UHFFFAOYSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: imzmx

methyloxydemeton
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 301-12-2
formula: C6H15O4PS2
inchi: InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3
iupac name: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane @en
pubchem: 4618
smiles: CCS(=O)CCSP(=O)(OC)OC
inchikey: PMCVMORKVPSKHZ-UHFFFAOYSA-N
alternative label: oxydemeton-methyl
broader: CHEMONTID_0000491
in scheme: Conceptschema Chemische Stoffen
notation: C1yOxdmtn

imazapyr
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 81334-34-1
cas number: 108224-78-8
cas number: 94795-74-1
formula: C13H15N3O3
inchi: InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)
iupac name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid @en
pubchem: 54738
inchikey: CLQMBPJKHLGMQK-UHFFFAOYSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: imzpr

pyriproxyfen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 126040-81-1
cas number: 95737-68-1
formula: C20H19NO3
inchi: InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3
iupac name: 2-[1-[4-(phenoxy)phenoxy]propan-2-yloxy]pyridine @en
pubchem: 91753
inchikey: NHDHVHZZCFYRSB-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: pyrpxfn

docosaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 112-85-6
cas number: 16529-65-0
formula: C22H44O2
iupac name: Docosanoic acid @en
pubchem: 8215
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)O
inchikey: UKMSUNONTOPOIO-UHFFFAOYSA-N
broader: CHEMONTID_0002950
in scheme: Conceptschema Chemische Stoffen
notation: C22azr

cyclofosfamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 60007-95-6
cas number: 60030-72-0
cas number: 60007-96-7
cas number: 50-18-0
cas number: 75526-90-8
formula: C7H15Cl2N2O2P
iupac name: ['(2S)-N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,N-bis(2-chloroethyl)-2-hydroxy-1,3,2-oxazaphosphinan-2-ium-2-amine', '(2R)-N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine'] @en
pubchem: 2907
smiles: C1CNP(=O)(OC1)N(CCCl)CCCl
inchikey: CMSMOCZEIVJLDB-UHFFFAOYSA-N
broader: CHEMONTID_0000398
in scheme: Conceptschema Chemische Stoffen
notation: cycffAd

2,2-dibenzothiazyldisulfide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 120-78-5
cas number: 109767-80-8
formula: C14H8N2S4
inchi: InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H
iupac name: 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole @en
pubchem: 8447
inchikey: AFZSMODLJJCVPP-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 22DbztazDS

2-methyl-2-propaanthiol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3374-16-1
cas number: 75-66-1
cas number: 16528-55-5
formula: C4H10S
inchi: InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
iupac name: 2-Methylpropane-2-thiol @en
pubchem: 6387
smiles: CC(C)(C)S
inchikey: WMXCDAVJEZZYLT-UHFFFAOYSA-N
broader: CHEMONTID_0001212
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y2C3atol

foraat-sulfon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2588-04-7
formula: C7H17O4PS3
inchi: InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3
iupac name: diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidenephosphorane @en
pubchem: 17425
smiles: CCOP(=S)(OCC)SCS(=O)(=O)CC
inchikey: YVPSNUIHHFTTRL-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: forsfn

ioxynil octanoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3861-47-0
formula: C15H17I2NO2
inchi: InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
iupac name: (4-cyano-2,6-diiodophenyl) octanoate @en
pubchem: 19730
smiles: CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I
inchikey: QBEXFUOWUYCXNI-UHFFFAOYSA-N
broader: CHEMONTID_0002319
in scheme: Conceptschema Chemische Stoffen
notation: ioxnOcnat

4,4'-methyleendifenyldiisocyanaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 65916-89-4
cas number: 55157-41-0
cas number: 97568-33-7
cas number: 12125-47-2
cas number: 156580-59-5
cas number: 26447-40-5
cas number: 77090-48-3
cas number: 142690-07-1
cas number: 101-68-8
cas number: 201528-77-0
cas number: 57460-66-9
cas number: 88001-94-9
cas number: 53633-14-0
cas number: 153986-89-1
cas number: 28515-38-0
formula: C15H10N2O2
inchi: InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
iupac name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene @en
pubchem: 7570
smiles: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
inchikey: UPMLOUAZCHDJJD-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 44C1yeDFyDiC

methyl diethyldithiocarbamaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 686-07-7
formula: C6H13NS2
inchi: InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3
iupac name: methyl diethylaminomethanedithioate @en
pubchem: 12704
smiles: CCN(CC)C(=S)SC
inchikey: JYRXPFCUABYLPD-UHFFFAOYSA-N
broader: CHEMONTID_0003936
in scheme: Conceptschema Chemische Stoffen
notation: C1yDC2yDtocb

hetzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7374-78-9
cas number: 5343-97-5
cas number: 115-28-6
formula: C9H4Cl6O4
inchi: InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)
iupac name: 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid @en
pubchem: 8266
inchikey: DJKGDNKYTKCJKD-UHFFFAOYSA-N
alternative label: HETzuur
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: HETzr

fenacitine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 62-44-2
formula: C10H13NO2
inchi: InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
iupac name: N-(4-Ethoxyphenyl)acetamide @en
pubchem: 4754
smiles: CCOC1=CC=C(C=C1)NC(=O)C
inchikey: CPJSUEIXXCENMM-UHFFFAOYSA-N
broader: CHEMONTID_0001846
in scheme: Conceptschema Chemische Stoffen
notation: fenctne

methcathinon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 28521-94-0
cas number: 5650-44-2
formula: C10H13NO
inchi: InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
iupac name: 2-methylamino-1-phenylpropan-1-one @en
pubchem: 1576
smiles: CC(C(=O)C1=CC=CC=C1)NC
inchikey: LPLLVINFLBSFRP-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: metcinn

polyethyleenglycol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 37221-95-7
cas number: 37225-26-6
cas number: 2219-51-4
cas number: 25322-68-3
cas number: 71767-64-1
cas number: 107-21-1
formula: C2H6O2
inchi: InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
iupac name: Ethane-1,2-diol @en
pubchem: 174
smiles: C(CO)O
inchikey: LYCAIKOWRPUZTN-UHFFFAOYSA-N
alternative label: ethyleenglycol
alternative label: glycol (monoethyleenglycol)
broader: CHEMONTID_0002467
in scheme: Conceptschema Chemische Stoffen
notation: glycl

pentaglyme
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1191-87-3
formula: C12H26O6
inchi: InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3
iupac name: 1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane @en
pubchem: 70931
smiles: COCCOCCOCCOCCOCCOC
inchikey: DMDPGPKXQDIQQG-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: Peglyme

trans-1,2-difenylcyclobutaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 20071-09-4
formula: C16H16
inchi: InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
iupac name: (2-Phenylcyclobutyl)benzene @en
pubchem: 140640
smiles: C1CC(C1C2=CC=CC=C2)C3=CC=CC=C3
inchikey: AERGGMDNGDDGPI-UHFFFAOYSA-N
broader: CHEMONTID_0000253
in scheme: Conceptschema Chemische Stoffen
notation: t12DFyccC4a

tetrahydrocannabinol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1972-08-3
cas number: 5957-27-7
cas number: 14146-29-3
cas number: 26108-45-2
cas number: 14146-43-1
cas number: 1363-19-5
cas number: 6465-30-1
formula: C21H30O2
inchi: InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
iupac name: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol @en
pubchem: 16078
inchikey: CYQFCXCEBYINGO-IAGOWNOFSA-N
broader: CHEMONTID_0003522
in scheme: Conceptschema Chemische Stoffen
notation: Thcannbnl

tannine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5424-20-4
formula: C76H52O46
inchi: InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
iupac name: [2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate @en
pubchem: 16129778
inchikey: LRBQNJMCXXYXIU-PPKXGCFTSA-N
broader: CHEMONTID_0001710
in scheme: Conceptschema Chemische Stoffen
notation: tannne

codeine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 76-57-3
formula: C18H21NO3
inchi: InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
iupac name: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol @en
pubchem: 5284371
inchikey: OROGSEYTTFOCAN-DNJOTXNNSA-N
broader: CHEMONTID_0000058
in scheme: Conceptschema Chemische Stoffen
notation: codine

fenthoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 61391-87-5
cas number: 61362-00-3
cas number: 2597-03-7
cas number: 61361-99-7
formula: C12H17O4PS2
inchi: InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3
iupac name: ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate @en
pubchem: 17435
smiles: CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC
inchikey: XAMUDJHXFNRLCY-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: fentat

selenaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14124-68-6
formula: O4Se-2
inchi: InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
iupac name: selenate @en
pubchem: 26473
smiles: [O-][Se](=O)(=O)[O-]
inchikey: QYHFIVBSNOWOCQ-UHFFFAOYSA-L
broader: CHEMONTID_0001075
in scheme: Conceptschema Chemische Stoffen
notation: SeO4

benzoezuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 65-85-0
cas number: 8013-63-6
formula: C7H6O2
inchi: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
iupac name: benzoic acid @en
pubchem: 243
smiles: C1=CC=C(C=C1)C(=O)O
inchikey: WPYMKLBDIGXBTP-UHFFFAOYSA-N
broader: CHEMONTID_0002565
in scheme: Conceptschema Chemische Stoffen
notation: benzezr

4-ethyl-4-hexadecylmorpholiniumethylsulfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8007-36-1
cas number: 78-21-7
formula: C24H51NO5S
inchi: InChI=1S/C22H46NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4-2)19-21-24-22-20-23;1-2-6-7(3,4)5/h3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
iupac name: 4-ethyl-4-hexadecylmorpholin-4-ium; ethyl sulfate @en
pubchem: 60971
smiles: CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CC.CCOS(=O)(=O)[O-]
inchikey: QDQHWKZZJJDBND-UHFFFAOYSA-M
broader: CHEMONTID_0000392
in scheme: Conceptschema Chemische Stoffen
notation: 4C2y4C6ymfln

4-chloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2051-62-9
formula: C12H9Cl
inchi: InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
iupac name: 1-chloro-4-phenylbenzene @en
pubchem: 16323
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
inchikey: FPWNLURCHDRMHC-UHFFFAOYSA-N
broader: CHEMONTID_0000500
in scheme: Conceptschema Chemische Stoffen
notation: PCB3

napropamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15299-99-7
formula: C17H21NO2
inchi: InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3
iupac name: N,N-diethyl-2-naphthalen-1-yloxypropanamide @en
pubchem: 27189
smiles: CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21
inchikey: WXZVAROIGSFCFJ-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: nappAd

2,6-di-tert-butylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 50356-17-7
cas number: 128-39-2
formula: C14H22O
inchi: InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
iupac name: 2,6-ditert-butylphenol @en
pubchem: 31405
smiles: CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O
inchikey: DKCPKDPYUFEZCP-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 26DttC4yFol

indolylazijnzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 54692-39-6
cas number: 87-51-4
cas number: 6305-45-9
formula: C10H9NO2
inchi: InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
iupac name: 2-(1H-indol-3-yl)acetic acid @en
pubchem: 802
smiles: C1=CC=C2C(=C1)C(=CN2)CC(=O)O
inchikey: SEOVTRFCIGRIMH-UHFFFAOYSA-N
broader: CHEMONTID_0001252
in scheme: Conceptschema Chemische Stoffen
notation: indlHAc

dioxacarb
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 6988-21-2
formula: C11H13NO4
inchi: InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)
iupac name: [2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate @en
pubchem: 23421
smiles: CNC(=O)OC1=CC=CC=C1C2OCCO2
inchikey: SDKQRNRRDYRQKY-UHFFFAOYSA-N
broader: CHEMONTID_0004742
in scheme: Conceptschema Chemische Stoffen
notation: DOacb

fenobucarb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3766-81-2
cas number: 12773-35-2
cas number: 145846-59-9
formula: C12H17NO2
inchi: InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
iupac name: (2-butan-2-ylphenyl) N-methylcarbamate @en
pubchem: 19588
smiles: CCC(C)C1=CC=CC=C1OC(=O)NC
inchikey: DIRFUJHNVNOBMY-UHFFFAOYSA-N
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: fenbcb

ethyl-p-nitrofenylthiobenzeenfosfonaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 65580-79-2
cas number: 2104-64-5
cas number: 65580-80-5
formula: C14H14NO4PS
inchi: InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
iupac name: ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane @en
pubchem: 16421
smiles: CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
inchikey: AIGRXSNSLVJMEA-UHFFFAOYSA-N
broader: CHEMONTID_0004767
in scheme: Conceptschema Chemische Stoffen
notation: EPN

fenchloorfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 299-84-3
formula: C8H8Cl3O3PS
inchi: InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3
iupac name: dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane @en
pubchem: 9298
smiles: COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
inchikey: JHJOOSLFWRRSGU-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: fenClfs

benzo(ghi)fluorantheen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 203-12-3
formula: C18H10
inchi: InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H
iupac name: pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene @en
pubchem: 9144
inchikey: YEIHPPOCKIHUQJ-UHFFFAOYSA-N
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: BghiF

metaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 108-62-3
formula: C8H16O4
inchi: InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3
iupac name: 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane @en
pubchem: 61021
smiles: CC1OC(OC(OC(O1)C)C)C
inchikey: GKKDCARASOJPNG-UHFFFAOYSA-N
broader: CHEMONTID_0001656
in scheme: Conceptschema Chemische Stoffen
notation: mAh

diethyleentriamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 111-40-0
cas number: 54018-92-7
cas number: 26915-78-6
cas number: 94700-17-1
cas number: 73989-30-7
cas number: 8076-55-9
cas number: 53303-76-7
cas number: 98824-35-2
cas number: 59135-90-9
formula: C4H13N3
inchi: InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
iupac name: N-(2-aminoethyl)ethane-1,2-diamine @en
pubchem: 8111
smiles: C(CNCCN)N
inchikey: RPNUMPOLZDHAAY-UHFFFAOYSA-N
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: DC2yeTAe

perfluor-3-methoxypropaanzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 377-73-1
formula: C4HF7O3
inchi: InChI=1S/C4HF7O3/c5-2(6,1(12)13)3(7,8)14-4(9,10)11/h(H,12,13)
iupac name: 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid @en
pubchem: 120228
smiles: C(=O)(C(C(OC(F)(F)F)(F)F)(F)F)O
inchikey: AGIMOOYNBDLMJV-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: PFMOPrA

1-hydroxy-2,4,4-trimethyl-3-pentanyl 2-methylpropanoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 74367-33-2
formula: C12H24O3
inchi: InChI=1S/C12H24O3/c1-8(2)11(14)15-10(9(3)7-13)12(4,5)6/h8-10,13H,7H2,1-6H3
iupac name: (1-hydroxy-2,4,4-trimethylpentan-3-yl) 2-methylpropanoate @en
pubchem: 156477
smiles: CC(C)C(=O)OC(C(C)CO)C(C)(C)C
inchikey: YXISVHDWGVMPGJ-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: 1HOx244TC1y3

c.i. direct brown 95
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 16071-86-6
cas number: 76199-83-2
cas number: 39403-88-8
cas number: 58601-87-9
cas number: 10300-74-0
formula: C31H18CuN6Na2O9S
inchi: InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,33,36,38-39H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32?,35-24+,37-29-;;;
iupac name: copper disodium 2-oxido-5-[4-[4-[(2Z)-2-[(5E)-5-[(2-oxido-5-sulfonatophenyl)hydrazinylidene]-2,6-dioxo-1-cyclohex-3-enylidene]hydrazinyl]phenyl]phenyl]diazenylbenzoate @en
pubchem: 9570322
inchikey: YSIIVKXVQXRKAN-LRAZUDBQSA-J
alternative label: C.I. Direct Brown 95
broader: CHEMONTID_0003370
in scheme: Conceptschema Chemische Stoffen
notation: cidbn95

2-hydroxyethylhydrazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 109-84-2
formula: C2H8N2O
inchi: InChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2
iupac name: 2-hydrazinylethanol @en
pubchem: 8017
smiles: C(CO)NN
inchikey: GBHCABUWWQUMAJ-UHFFFAOYSA-N
broader: CHEMONTID_0002460
in scheme: Conceptschema Chemische Stoffen
notation: 2HOxC2yhdzne

1-ethoxy-2-propanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1569-02-4
formula: C5H12O2
inchi: InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3
iupac name: 1-Ethoxypropan-2-ol @en
pubchem: 15287
smiles: CCOCC(C)O
inchikey: JOLQKTGDSGKSKJ-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 1C2ox2C3ol

2-butoxyethylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 112-07-2
formula: C8H16O3
inchi: InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
iupac name: 2-Butoxyethyl acetate @en
pubchem: 8160
smiles: CCCCOCCOC(=O)C
inchikey: NQBXSWAWVZHKBZ-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: 2C4oxC2yactt

americium 242
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13981-54-9
formula: Am
inchi: InChI=1S/Am/i1-1
iupac name: americium-242 @en
pubchem: 166958
smiles: [Am]
inchikey: LXQXZNRPTYVCNG-BJUDXGSMSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Am242

mangaan 52
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14092-99-0
formula: Mn
inchi: InChI=1S/Mn/i1-3
iupac name: manganese-52 @en
pubchem: 115131
smiles: [Mn]
inchikey: PWHULOQIROXLJO-OIOBTWANSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Mn52

bromoxynil heptanoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 56634-95-8
formula: C14H15Br2NO2
inchi: InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3
iupac name: (2,6-dibromo-4-cyanophenyl) heptanoate @en
pubchem: 62119
smiles: CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br
inchikey: BHZWBQPHPLFZSV-UHFFFAOYSA-N
broader: CHEMONTID_0002319
in scheme: Conceptschema Chemische Stoffen
notation: BrOxnHpnat

pentachloorben-zeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 608-93-5
formula: C6HCl5
inchi: InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
iupac name: 1,2,3,4,5-Pentachlorobenzene @en
pubchem: 11855
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
inchikey: CEOCDNVZRAIOQZ-UHFFFAOYSA-N
alternative label: pentachloorbenzeen
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: PeClBen

diethyleenglycol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 4669-26-5
cas number: 111-46-6
formula: C4H10O3
inchi: InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
iupac name: 2-(2-Hydroxyethoxy)ethanol @en
pubchem: 8117
smiles: C(COCCO)O
inchikey: MTHSVFCYNBDYFN-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: DC2yegcl

propetamfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 31218-83-4
formula: C10H20NO4PS
inchi: InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7-
iupac name: propan-2-yl (Z)-3-(ethylamino-methoxyphosphinothioyl)oxybut-2-enoate @en
pubchem: 6434101
smiles: CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C
inchikey: BZNDWPRGXNILMS-CLFYSBASSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: proptfs

tetrabutyltin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1461-25-2
formula: C16H36Sn
inchi: InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;
iupac name: Tetrabutylstannane @en
pubchem: 15098
smiles: CCCC[Sn](CCCC)(CCCC)CCCC
inchikey: AFCAKJKUYFLYFK-UHFFFAOYSA-N
alternative label: tetrabutyltin (tebt)
broader: CHEMONTID_0004347
in scheme: Conceptschema Chemische Stoffen
notation: T4C4ySn

triamcinolon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 83474-03-7
cas number: 124-94-7
formula: C21H27FO6
inchi: InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
iupac name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 31307
inchikey: GFNANZIMVAIWHM-OBYCQNJPSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: Tacnln

antimoon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR III (D3, diverse art) 'Sb'
comment: VLAR III (D3) 'antimoon'
comment: VLAR II bijl. 4.4.2 'antimoon en zijn verbindingen, uitgedrukt in Sb'
comment: VLAR II (D5) 'antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)' en 'antimoon en antimoonverbindingen, uitgedrukt als Sb'
comment: VLAR III (D3) 'antimoon en antimoonverbindingen, uitgedrukt in Antimoon (Sb)'
cas number: 7440-36-0
cas number: 73063-67-9
cas number: 117011-47-9
formula: Sb2
inchi: InChI=1S/2Sb
iupac name: stibanylidynestibane @en
pubchem: 23967
smiles: [Sb]#[Sb]
inchikey: WUOBERCRSABHOT-UHFFFAOYSA-N
is referenced by: LUC III 010
is referenced by: LUC I 002
alternative label: Antimoon (Sb)
broader: CHEMONTID_0000431
definition: antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)
in scheme: Conceptschema Chemische Stoffen
notation: Sb

ethefon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 73020-07-2
cas number: 16672-87-0
cas number: 82375-49-3
formula: C2H6ClO3P
inchi: InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
iupac name: 2-Chloroethylphosphonic acid @en
pubchem: 27982
smiles: C(CCl)P(=O)(O)O
inchikey: UDPGUMQDCGORJQ-UHFFFAOYSA-N
broader: CHEMONTID_0001302
in scheme: Conceptschema Chemische Stoffen
notation: etfn

thoriumdioxide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 8006-33-5
cas number: 1314-20-1
cas number: 34321-99-8
formula: O2Th
inchi: InChI=1S/2O.Th
iupac name: dioxothorium @en
pubchem: 14808
smiles: O=[Th]=O
inchikey: ZCUFMDLYAMJYST-UHFFFAOYSA-N
broader: CHEMONTID_0000522
in scheme: Conceptschema Chemische Stoffen
notation: ThDO

4-methylvaleriaanzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1866-94-0
cas number: 1331-16-4
cas number: 646-07-1
cas number: 38784-67-7
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
iupac name: 4-Methylpentanoic acid @en
pubchem: 12587
smiles: CC(C)CCC(=O)O
inchikey: FGKJLKRYENPLQH-UHFFFAOYSA-N
broader: CHEMONTID_0003544
in scheme: Conceptschema Chemische Stoffen
notation: 4C1yvlrazr

3-chloorpropaannitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 542-76-7
cas number: 2003-31-8
formula: C3H4ClN
inchi: InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2
iupac name: ['3-chloroprop-2-ynenitrile', '3-Chloropropanenitrile'] @en
pubchem: 10963
smiles: C(CCl)C#N
inchikey: GNHMRTZZNHZDDM-UHFFFAOYSA-N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: 3ClC3antl

fenofibrinezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 42017-89-0
formula: C17H15ClO4
inchi: InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
iupac name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid @en
pubchem: 64929
inchikey: MQOBSOSZFYZQOK-UHFFFAOYSA-N
broader: CHEMONTID_0000120
in scheme: Conceptschema Chemische Stoffen
notation: fenfbnzr

4,4'-dinitrostilbeen-2,2'-disulfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 128-42-7
formula: C14H10N2O10S2
iupac name: ['5-nitro-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid', '5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid'] @en
pubchem: 5282251
smiles: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
inchikey: UETHPMGVZHBAFB-OWOJBTEDSA-N
broader: CHEMONTID_0004785
in scheme: Conceptschema Chemische Stoffen
notation: 44DNO2sb22Ds

difenhydramine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 58-73-1
formula: C17H21NO
inchi: InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
iupac name: 2-[di(phenyl)methoxy]-N,N-dimethylethanamine @en
pubchem: 3100
smiles: CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
inchikey: ZZVUWRFHKOJYTH-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: Dfhdmne

cefaclor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 53994-73-3
formula: C15H14ClN3O4S
iupac name: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid @en
pubchem: 51039
inchikey: QYIYFLOTGYLRGG-GPCCPHFNSA-N
broader: CHEMONTID_0001189
in scheme: Conceptschema Chemische Stoffen
notation: cefcr

fluotrimazol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 31251-03-3
formula: C22H16F3N3
inchi: InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H
iupac name: 1-[di(phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole @en
pubchem: 91600
inchikey: LXMQMMSGERCRSU-UHFFFAOYSA-N
broader: CHEMONTID_0004524
in scheme: Conceptschema Chemische Stoffen
notation: Fltmzl

didesethylflurazepam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 17617-59-3
formula: C17H15ClFN3O
inchi: InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2
iupac name: 1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one @en
pubchem: 28647
inchikey: MVAUDJDXZPBWOW-UHFFFAOYSA-N
broader: CHEMONTID_0004097
in scheme: Conceptschema Chemische Stoffen
notation: DdC2yfrzpm

iso-butylbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 538-93-2
cas number: 28729-54-6
formula: C10H14
inchi: InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
iupac name: 2-methylpropylbenzene @en
pubchem: 10870
smiles: CC(C)CC1=CC=CC=C1
inchikey: KXUHSQYYJYAXGZ-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: iC4yBen

fenbendazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 43210-67-9
cas number: 53571-02-1
formula: C15H13N3O2S
inchi: InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
iupac name: methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate @en
pubchem: 3334
inchikey: HDDSHPAODJUKPD-UHFFFAOYSA-N
broader: CHEMONTID_0004711
in scheme: Conceptschema Chemische Stoffen
notation: fenbdzl

perfluorooctaansulfonylfluoride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 307-35-7
formula: C8F18O2S
inchi: InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride @en
pubchem: 9388
inchikey: BHFJBHMTEDLICO-UHFFFAOYSA-N
broader: CHEMONTID_0004050
in scheme: Conceptschema Chemische Stoffen
notation: PFOSF

zirconium 95
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13967-71-0
formula: Zr
inchi: InChI=1S/Zr/i1+4
iupac name: zirconium-95 @en
pubchem: 91573
smiles: [Zr]
inchikey: QCWXUUIWCKQGHC-RNFDNDRNSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Zr95

natriumazide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 108592-00-3
cas number: 12136-89-9
cas number: 157302-08-4
cas number: 20828-18-6
cas number: 26628-22-8
formula: N3Na
inchi: InChI=1S/N3.Na/c1-3-2;/q-1;+1
iupac name: SODIUM AZIDE @en
pubchem: 33557
smiles: [N-]=[N+]=[N-].[Na+]
inchikey: PXIPVTKHYLBLMZ-UHFFFAOYSA-N
broader: CHEMONTID_0000525
in scheme: Conceptschema Chemische Stoffen
notation: Naazde

3,3',4,4',5,5'-hexachloorbifenyl (pcb169)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 1336-36-3
cas number: 32774-16-6
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
iupac name: 1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene @en
pubchem: 36231
inchikey: ZHLICBPIXDOFFG-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: PCB 169
alternative label: 3,3',4,4',5,5'-hexachloorbifenyl
alternative label: pcb 169
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB169

2,4-D 2-ethylhexylester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1928-43-4
cas number: 25168-26-7
formula: C16H22Cl2O3
inchi: InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3
iupac name: 2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate @en
pubchem: 61286
smiles: CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
inchikey: QZSFJRIWRPJUOH-UHFFFAOYSA-N
alternative label: 2,4-d 2-ethylhexylester
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: 24D2C2yC6yEs

epoxiconazole
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 133855-98-8
formula: C17H13ClFN3O
inchi: InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17+/m0/s1
iupac name: 1-[[(2S,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole @en
pubchem: 11067463
inchikey: ZMYFCFLJBGAQRS-DLBZAZTESA-N
alternative label: epoxiconazool
broader: CHEMONTID_0000253
in scheme: Conceptschema Chemische Stoffen
notation: epxcnzl

pravastatine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 81093-37-0
formula: C23H36O7
inchi: InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
iupac name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid @en
pubchem: 54687
inchikey: TUZYXOIXSAXUGO-PZAWKZKUSA-N
broader: CHEMONTID_0000299
in scheme: Conceptschema Chemische Stoffen
notation: pravstne

dimethylsulfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 98478-67-2
cas number: 62086-97-9
cas number: 139443-72-4
cas number: 77-78-1
formula: C2H6O4S
inchi: InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3
iupac name: Dimethyl sulfate @en
pubchem: 6497
smiles: COS(=O)(=O)OC
inchikey: VAYGXNSJCAHWJZ-UHFFFAOYSA-N
broader: CHEMONTID_0001184
in scheme: Conceptschema Chemische Stoffen
notation: DC1ySO4

cholesterol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 22243-67-0
cas number: 209124-38-9
cas number: 218965-24-3
cas number: 80356-14-5
cas number: 57-88-5
formula: C27H46O
inchi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
iupac name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
pubchem: 5997
inchikey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
broader: CHEMONTID_0001469
in scheme: Conceptschema Chemische Stoffen
notation: cholEsrol

(1-ethyldecyl)-benzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2400-00-2
formula: C18H30
inchi: InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3
iupac name: dodecan-3-ylbenzene @en
pubchem: 16979
smiles: CCCCCCCCCC(CC)C1=CC=CC=C1
inchikey: PGVOXXHNGYYHHB-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 1C2yC10yBen

broomoxynil-octanoaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 33964-24-8
cas number: 86702-80-9
cas number: 1689-99-2
formula: C15H17Br2NO2
inchi: InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
iupac name: (2,6-dibromo-4-cyanophenyl) octanoate @en
pubchem: 15533
smiles: CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br
inchikey: DQKWXTIYGWPGOO-UHFFFAOYSA-N
broader: CHEMONTID_0002319
in scheme: Conceptschema Chemische Stoffen
notation: BrOxnOcnat

2-ethylhexylglycidylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2461-15-6
cas number: 145928-91-2
cas number: 98913-53-2
cas number: 102640-36-8
formula: C11H22O2
inchi: InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3
iupac name: 2-(2-ethylhexoxymethyl)oxirane @en
pubchem: 17162
smiles: CCCCC(CC)COCC1CO1
inchikey: BBBUAWSVILPJLL-UHFFFAOYSA-N
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yC6ygcdEt

C.I. Acid Red 52
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 12777-86-5
cas number: 2609-88-3
cas number: 184827-20-1
cas number: 104298-69-3
cas number: 204996-41-8
cas number: 74871-35-5
cas number: 39470-83-2
cas number: 61261-16-3
cas number: 3520-42-1
cas number: 192230-72-1
cas number: 103947-10-0
formula: C29H33N2NaO7S2
inchi: InChI=1S/C29H34N2O7S2.Na/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4;/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37);/q;+1/p-1
iupac name: sodium 4-(3-diethylamino-6-diethylazaniumylidene-2,7-dimethylxanthen-9-yl)benzene-1,3-disulfonate @en
pubchem: 62500
inchikey: XJENLUNLXRJLEZ-UHFFFAOYSA-M
alternative label: c.i. acid red 52
broader: CHEMONTID_0000200
in scheme: Conceptschema Chemische Stoffen
notation: ciard52

chloorfenapyr
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 122453-73-0
formula: C15H11BrClF3N2O
iupac name: 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile @en
pubchem: 91778
smiles: CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl
inchikey: CWFOCCVIPCEQCK-UHFFFAOYSA-N
broader: CHEMONTID_0002334
in scheme: Conceptschema Chemische Stoffen
notation: Clfapr

etridiazol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2593-15-9
formula: C5H5Cl3N2OS
inchi: InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
iupac name: 5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole @en
pubchem: 17432
smiles: CCOC1=NC(=NS1)C(Cl)(Cl)Cl
inchikey: KQTVWCSONPJJPE-UHFFFAOYSA-N
broader: CHEMONTID_0000128
in scheme: Conceptschema Chemische Stoffen
notation: eTDazl

para-(tertiair-amyl)fenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 80-46-6
formula: C11H16O
inchi: InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
iupac name: 4-(2-methylbutan-2-yl)phenol @en
pubchem: 6643
smiles: CCC(C)(C)C1=CC=C(C=C1)O
inchikey: NRZWYNLTFLDQQX-UHFFFAOYSA-N
alternative label: 4-tert-pentylfenol
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: pttamFol

1,3,5-trimethylbenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'trimethylbenzeen'
cas number: 108-67-8
formula: C9H12
inchi: InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
iupac name: 1,3,5-Trimethylbenzene @en
pubchem: 7947
smiles: CC1=CC(=CC(=C1)C)C
inchikey: AUHZEENZYGFFBQ-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 001
is referenced by: LUC IV 000
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 135TC1yBen

trichlooramine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10025-85-1
formula: Cl3N
inchi: InChI=1S/Cl3N/c1-4(2)3
iupac name: trichloroamine @en
pubchem: 61437
smiles: N(Cl)(Cl)Cl
inchikey: QEHKBHWEUPXBCW-UHFFFAOYSA-N
is referenced by: LUC VII 002
alternative label: stikstoftrichloride
broader: CHEMONTID_0000549
in scheme: Conceptschema Chemische Stoffen
notation: NTCl

benazolin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 3813-05-6
formula: C9H6ClNO3S
inchi: InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)
iupac name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid @en
pubchem: 19662
smiles: C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O
inchikey: HYJSGOXICXYZGS-UHFFFAOYSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: benzln

diazepam
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 53320-84-6
cas number: 439-14-5
cas number: 11100-37-1
formula: C16H13ClN2O
inchi: InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
iupac name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one @en
pubchem: 3016
inchikey: AAOVKJBEBIDNHE-UHFFFAOYSA-N
alternative label: valium
broader: CHEMONTID_0004097
in scheme: Conceptschema Chemische Stoffen
notation: valum

trifenyltinhydroxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 76-87-9
formula: C18H17OSn
inchi: InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;
iupac name: tri(phenyl)tin hydrate @en
pubchem: 6327657
inchikey: NRHFWOJROOQKBK-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen

2,2',5-trichloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 37680-65-2
formula: C12H7Cl3
inchi: InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H
iupac name: 1,4-dichloro-2-(2-chlorophenyl)benzene @en
pubchem: 37803
smiles: C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl
inchikey: DCMURXAZTZQAFB-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB18

1,1-dichloorpropaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 78-99-9
formula: C3H6Cl2
inchi: InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3
iupac name: 1,1-DICHLOROPROPANE @en
pubchem: 6573
smiles: CCC(Cl)Cl
inchikey: WIHMGGWNMISDNJ-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 11DClC3a

chloorazijnzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 79-11-8
formula: C2H3ClO2
inchi: InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
iupac name: 2-chloroacetic acid @en
pubchem: 300
smiles: C(C(=O)O)Cl
inchikey: FOCAUTSVDIKZOP-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: ClHAc

dibutyltindichloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 683-18-1
formula: 0
inchi: InChI=1S/2C4H9.2Cl.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;;;
iupac name: dibutyl-dichlorostannane @en
smiles: 0
inchikey: QBJCDRCOQAVMJK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

3-ethyl-2,4-dimethylpentaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1068-87-7
formula: C9H20
inchi: InChI=1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3
iupac name: 3-Ethyl-2,4-dimethylpentane @en
pubchem: 14040
smiles: CCC(C(C)C)C(C)C
inchikey: VLHAGZNBWKUMRW-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 3C2y24DC1yC5

tetramethylureum
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 632-22-4
formula: C5H12N2O
inchi: InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
iupac name: 1,1,3,3-Tetramethylurea @en
pubchem: 12437
smiles: CN(C)C(=O)N(C)C
inchikey: AVQQQNCBBIEMEU-UHFFFAOYSA-N
broader: CHEMONTID_0000517
in scheme: Conceptschema Chemische Stoffen
notation: T4C1yurum

argon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 24494-51-7
cas number: 13473-05-7
cas number: 75714-55-5
cas number: 137736-93-7
cas number: 7440-37-1
cas number: 50938-66-4
formula: Ar
inchi: InChI=1S/Ar
iupac name: ARGON @en
pubchem: 23968
smiles: [Ar]
inchikey: XKRFYHLGVUSROY-UHFFFAOYSA-N
broader: CHEMONTID_0000433
in scheme: Conceptschema Chemische Stoffen
notation: Ar

cyclohexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 68411-76-7
cas number: 25012-93-5
cas number: 110-82-7
formula: C6H12
inchi: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
iupac name: Cyclohexane @en
pubchem: 8078
smiles: C1CCCCC1
inchikey: XDTMQSROBMDMFD-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: cycC6a

3,5-dinitrofenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 586-11-8
formula: C6H4N2O5
inchi: InChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H
iupac name: 3,5-DINITROPHENOL @en
pubchem: 11459
smiles: C1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]
inchikey: UEMBNLWZFIWQFL-UHFFFAOYSA-N
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
notation: 35DNO2Fol

laminaran
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 9008-22-4
formula: C18H32O16
inchi: InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1
iupac name: (3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol @en
pubchem: 439306
inchikey: DBTMGCOVALSLOR-VPNXCSTESA-N
broader: CHEMONTID_0000198
in scheme: Conceptschema Chemische Stoffen
notation: lamnrn

isosafrol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4043-71-4
cas number: 120-58-1
cas number: 191281-03-5
formula: C10H10O2
inchi: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
iupac name: ['5-Prop-1-enyl-1,3-benzodioxole', '5-[(E)-prop-1-enyl]-1,3-benzodioxole'] @en
pubchem: 637796
smiles: CC=CC1=CC2=C(C=C1)OCO2
inchikey: VHVOLFRBFDOUSH-NSCUHMNNSA-N
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: isfl

boortrifluoride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 109704-87-2
cas number: 15875-25-9
cas number: 372-85-0
cas number: 20654-88-0
cas number: 155123-44-7
cas number: 7637-07-2
formula: BF3
inchi: InChI=1S/BF3/c2-1(3)4
iupac name: Trifluoroborane @en
pubchem: 6356
smiles: B(F)(F)F
inchikey: WTEOIRVLGSZEPR-UHFFFAOYSA-N
broader: CHEMONTID_0000584
in scheme: Conceptschema Chemische Stoffen
notation: BTF

2,3,4,4',5,6-hexachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 41411-63-6
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H
iupac name: 1,2,3,4,5-pentachloro-6-(4-chlorophenyl)benzene @en
pubchem: 63077
inchikey: BTOCFTAWZMMTNB-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB166

estriol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 50-27-1
formula: C18H24O3
inchi: InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
iupac name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol @en
pubchem: 5756
smiles: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
inchikey: PROQIPRRNZUXQM-ZXXIGWHRSA-N
alternative label: oestriol
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
notation: esTol

nitrothal-isopropyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 10552-74-6
formula: C14H17NO6
inchi: InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3
iupac name: dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate @en
pubchem: 43704
smiles: CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C
inchikey: VJAWBEFMCIINFU-UHFFFAOYSA-N
broader: CHEMONTID_0004010
in scheme: Conceptschema Chemische Stoffen
notation: nittliC3y

foraat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 298-02-2
formula: C7H17O2PS3
inchi: InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
iupac name: diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidenephosphorane @en
pubchem: 4790
smiles: CCOP(=S)(OCC)SCSCC
inchikey: BULVZWIRKLYCBC-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: fort

heptylbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1078-71-3
formula: C13H20
inchi: InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3
iupac name: Heptylbenzene @en
pubchem: 14115
smiles: CCCCCCCC1=CC=CC=C1
inchikey: LBNXAWYDQUGHGX-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: C7yBen

clomazon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 89493-06-1
cas number: 81777-89-1
formula: C12H14ClNO2
inchi: InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
iupac name: 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one @en
pubchem: 54778
smiles: CC1(CON(C1=O)CC2=CC=CC=C2Cl)C
inchikey: KIEDNEWSYUYDSN-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: clomzn

triadimenol-A
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 89482-17-7
formula: C14H18ClN3O2
inchi: InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13-/m0/s1
iupac name: (1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
pubchem: 92416
inchikey: BAZVSMNPJJMILC-STQMWFEESA-N
alternative label: triadimenol-a
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: TadmnlA

distikstofoxide (n2o)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II (D1, definities broeikasgassen)
comment: VLAR III (D3) 'N2O'
cas number: 130835-71-1
cas number: 175876-44-5
cas number: 147527-07-9
cas number: 10024-97-2
cas number: 126386-65-0
cas number: 129451-49-6
formula: N2O
inchi: InChI=1S/N2O/c1-2-3
iupac name: nitrous oxide @en
pubchem: 948
smiles: [N-]=[N+]=O
inchikey: GQPLMRYTRLFLPF-UHFFFAOYSA-N
alternative label: distikstofoxide (N2O)
alternative label: distikstofoxide (lachgas)
broader: CHEMONTID_0000553
in scheme: Conceptschema Chemische Stoffen
notation: N2O

tri-tert-butylmethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 41902-42-5
formula: C13H28O
inchi: InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3
iupac name: 3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol @en
pubchem: 142558
smiles: CC(C)(C)C(C(C)(C)C)(C(C)(C)C)O
inchikey: LIUBOLYWYDGCSJ-UHFFFAOYSA-N
broader: CHEMONTID_0001670
in scheme: Conceptschema Chemische Stoffen
notation: TttC4yC1ol

captan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 37335-15-2
cas number: 120528-25-8
cas number: 1321-42-2
cas number: 133-06-2
formula: C9H8Cl3NO2S
inchi: InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
iupac name: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione @en
pubchem: 8606
smiles: C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
inchikey: LDVVMCZRFWMZSG-UHFFFAOYSA-N
broader: CHEMONTID_0001820
in scheme: Conceptschema Chemische Stoffen
notation: captn

benzyl 4-hydroxybenzoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 94-18-8
formula: C14H12O3
inchi: InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2
iupac name: Phenylmethyl 4-hydroxybenzoate @en
pubchem: 7180
smiles: C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O
inchikey: MOZDKDIOPSPTBH-UHFFFAOYSA-N
broader: CHEMONTID_0004702
in scheme: Conceptschema Chemische Stoffen
notation: benz4HOxbzat

dimethylsulfamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3984-14-3
formula: C2H8N2O2S
inchi: InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)
iupac name: (methyl-sulfamoylamino)methane @en
pubchem: 134472
smiles: CN(C)S(=O)(=O)N
inchikey: QMHAHUAQAJVBIW-UHFFFAOYSA-N
broader: CHEMONTID_0001183
in scheme: Conceptschema Chemische Stoffen
notation: DC1ysAd

pyrantel pamoaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 122157-48-6
cas number: 22204-24-6
formula: C34H30N2O6S
inchi: InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+
iupac name: ['4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine', '4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine'] @en
pubchem: 5281033
inchikey: AQXXZDYPVDOQEE-MXDQRGINSA-N
broader: CHEMONTID_0002421
in scheme: Conceptschema Chemische Stoffen
notation: pyrtpmat

heptachloornorborneen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 28680-45-7
formula: C7H3Cl7
inchi: InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h1,3-4H
iupac name: 1,2,4,5,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene @en
pubchem: 34308
smiles: C1=C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl
inchikey: PXTADLCAVHRXCA-UHFFFAOYSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: HpClnbnn

feofytine a
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 603-17-8
formula: C55H74N4O5
inchi: InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?
iupac name: methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate @en
pubchem: 5351507
inchikey: DQVGVYRSVYCJRR-HTLTWAQSSA-N
broader: CHEMONTID_0000716
in scheme: Conceptschema Chemische Stoffen

triclopyr
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 69653-72-1
cas number: 55335-06-3
formula: C7H4Cl3NO3
inchi: InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
iupac name: 2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid @en
pubchem: 41428
smiles: C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl
inchikey: REEQLXCGVXDJSQ-UHFFFAOYSA-N
broader: CHEMONTID_0003971
in scheme: Conceptschema Chemische Stoffen
notation: Tcpr

pyridaben
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 96489-71-3
formula: C19H25ClN2OS
inchi: InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
iupac name: 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one @en
pubchem: 91754
inchikey: DWFZBUWUXWZWKD-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: pyrdbn

geraniol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 624-15-7
cas number: 68311-14-8
cas number: 8007-13-4
cas number: 106-24-1
formula: C10H18O
inchi: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
iupac name: ['(2E)-3,7-dimethylocta-2,6-dien-1-ol', '3,7-dimethylocta-2,6-dien-1-ol'] @en
pubchem: 637566
smiles: CC(=CCCC(=CCO)C)C
inchikey: GLZPCOQZEFWAFX-JXMROGBWSA-N
broader: CHEMONTID_0001127
in scheme: Conceptschema Chemische Stoffen
notation: gernl

2-methyllactonitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 75-86-5
cas number: 59182-86-4
formula: C4H7NO
inchi: InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
iupac name: 2-Hydroxy-2-methylpropanenitrile @en
pubchem: 6406
smiles: CC(C)(C#N)O
inchikey: MWFMGBPGAXYFAR-UHFFFAOYSA-N
broader: CHEMONTID_0001670
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yltntl

3,5-dimethylpyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 591-22-0
formula: C7H9N
inchi: InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
iupac name: 3,5-Dimethylpyridine @en
pubchem: 11565
smiles: CC1=CC(=CN=C1)C
inchikey: HWWYDZCSSYKIAD-UHFFFAOYSA-N
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
notation: 35DC1yprdne

n-butylacetaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 123-86-4
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
iupac name: Butyl acetate @en
pubchem: 31272
smiles: CCCCOC(=O)C
inchikey: DKPFZGUDAPQIHT-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 011
is referenced by: LUC IV 004
is referenced by: LUC IV 000
alternative label: butylacetaat
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: C4yactt

fenamifos-sulfoxide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 31972-43-7
cas number: 124793-11-9
formula: C13H22NO4PS
inchi: InChI=1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)
iupac name: N-[ethoxy-(3-methyl-4-methylsulfinylphenoxy)phosphoryl]propan-2-amine @en
pubchem: 36027
smiles: CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)C)C
inchikey: LUQMWGMGWJEGAT-UHFFFAOYSA-N
broader: CHEMONTID_0004632
in scheme: Conceptschema Chemische Stoffen
notation: fenamfSO

campheen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 5794-04-7
cas number: 79-92-5
cas number: 565-00-4
formula: C10H16
inchi: InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
iupac name: 6,6-dimethyl-5-methylidenebicyclo[2.2.1]heptane @en
pubchem: 6616
smiles: CC1(C2CCC(C2)C1=C)C
inchikey: CRPUJAZIXJMDBK-UHFFFAOYSA-N
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
notation: campn

p-menthaan-3,8-diol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 42822-86-6
formula: C10H20O2
inchi: InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
iupac name: 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol @en
pubchem: 556998
smiles: CC1CCC(C(C1)O)C(C)(C)O
inchikey: LMXFTMYMHGYJEI-UHFFFAOYSA-N
broader: CHEMONTID_0001401
in scheme: Conceptschema Chemische Stoffen
notation: p-ment38Dol

2,2-dibroom-2-cyaanaceetamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10222-01-2
formula: C3H2Br2N2O
inchi: InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
iupac name: 2,2-DIBROMO-2-CYANOACETAMIDE @en
pubchem: 25059
smiles: C(#N)C(C(=O)N)(Br)Br
inchikey: UUIVKBHZENILKB-UHFFFAOYSA-N
broader: CHEMONTID_0001662
in scheme: Conceptschema Chemische Stoffen
notation: 22DBr2caacam

methoxyethylkwikchloride
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 123-88-6
formula: C3H7ClHgO
inchi: InChI=1S/C3H7O.ClH.Hg/c1-3-4-2;;/h1,3H2,2H3;1H;/q;;+1/p-1
iupac name: 2-Methoxyethylmercury chloride @en
pubchem: 31273
smiles: COCC[Hg+].[Cl-]
inchikey: VJTAZCKMHINUKO-UHFFFAOYSA-M
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: C1oxC2yHgCl

oxyclozanide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2277-92-1
formula: C13H6Cl5NO3
inchi: InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)
iupac name: 2,3,5-Trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide @en
pubchem: 16779
inchikey: JYWIYHUXVMAGLG-UHFFFAOYSA-N
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: Oxcznde

2,2,4-trimethyl-1,3-pentaandiol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 144-19-4
cas number: 127894-68-2
formula: C8H18O2
inchi: InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
iupac name: 2,2,4-Trimethylpentane-1,3-diol @en
pubchem: 8946
smiles: CC(C)C(C(C)(C)CO)O
inchikey: JCTXKRPTIMZBJT-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 224TC1y13C5a

climbazole
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 38083-17-9
formula: C15H17ClN2O2
inchi: InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
iupac name: 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one @en
pubchem: 37907
inchikey: OWEGWHBOCFMBLP-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: climbzle

oxadiargyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 39807-15-3
formula: C15H14Cl2N2O3
iupac name: 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one @en
pubchem: 94498
inchikey: DVOODWOZJVJKQR-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: oxdagl

2,2,5,5,-tetramethyl-tetrahydrofuran
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15045-43-9
formula: C8H16O
inchi: InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3
iupac name: 2,2,5,5-tetramethyloxolane @en
pubchem: 27010
smiles: CC1(CCC(O1)(C)C)C
inchikey: BBLDTXFLAHKYFJ-UHFFFAOYSA-N
broader: CHEMONTID_0002648
in scheme: Conceptschema Chemische Stoffen
notation: 2255T4C4yT4H

aspartaam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7421-84-3
cas number: 22839-47-0
cas number: 53906-69-7
formula: C14H18N2O5
inchi: InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)
iupac name: 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid @en
pubchem: 2242
smiles: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
inchikey: IAOZJIPTCAWIRG-UHFFFAOYSA-N
broader: CHEMONTID_0000348
in scheme: Conceptschema Chemische Stoffen
notation: asptm

curium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-51-9
formula: Cm
inchi: InChI=1S/Cm
iupac name: CURIUM @en
pubchem: 23979
smiles: [Cm]
inchikey: NIWWFAAXEMMFMS-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Cm

myosmine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 532-12-7
formula: C9H10N2
inchi: InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
iupac name: 3-(4,5-dihydro-3H-pyrrol-2-yl)pyridine @en
pubchem: 442649
smiles: C1CC(=NC1)C2=CN=CC=C2
inchikey: DPNGWXJMIILTBS-UHFFFAOYSA-N
broader: CHEMONTID_0000089
in scheme: Conceptschema Chemische Stoffen
notation: myomne

succinaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 638-37-9
formula: C4H6O2
inchi: InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2
iupac name: BUTANEDIAL @en
pubchem: 12524
smiles: C(CC=O)C=O
inchikey: PCSMJKASWLYICJ-UHFFFAOYSA-N
broader: CHEMONTID_0002434
in scheme: Conceptschema Chemische Stoffen
notation: succAh

Chemische stoffen die in lucht gemeten worden.
type: Collection
in scheme: Conceptschema Chemische Stoffen
member: koolstofdisulfide
member: chloorbenzeen
member: propionzuur
member: furfurylalcohol
member: 1,2,3,4,6,7,8-heptachloordibenzo-para-dioxine
member: meta-xyleen
member: hydrazine
member: pcb77
member: 1-octeen
member: ethanol
member: 1,2,3,4,6,7,8,9-octachloordibenzofuraan
member: dichloor
member: kwik
member: vinylacetaat
member: waterstofcyanide
member: ortho-xyleen
member: styreen
member: benzeen
member: 2,4-xylenol
member: anthraceen
member: 2,6-dimethylheptaan-4-on
member: trichloorethyleen
member: 1-hexeen
member: fosgeen
member: 1,2,3,4,6,7,8,9-octachloordibenzo-p-dioxine
member: indeno(1,2,3-c,d)pyreen
member: stikstofdioxide
member: 1,3,5-trimethylbenzeen
member: monomethylamine
member: koolstoftetrachloride
member: ethylacetaat
member: 1-noneen
member: 1,2,3,7,8,9-hexachloordibenzodioxine
member: naftaleen
member: butanal
member: lood
member: diethylamine
member: diisopropylether
member: 2-butoxyethanol
member: 2,3,4,6,7,8-hexachloordibenzofuraan
member: stikstofmonoxide
member: 2,3',4,4',5-pentachloorbifenyl
member: vanadium
member: polyethyleenglycol
member: fenantreen
member: 2,3,7,8-tetrachloordibenzofuraan
member: cyclohexanon
member: 1-hepteen
member: propionaldehyde
member: 2,4-tolueendi-isocyanaat
member: 2-propanol
member: 2-naftylamine
member: furfural
member: 4-methyl-2-pentanon
member: 1,2-epoxypropaan
member: 1,2,3,7,8-pentachloordibenzofuran
member: 3,3’-dichloorbenzidine
member: ethyleenoxide
member: n-butylacetaat
member: acenaftyleen
member: zuurstof
member: zwaveltrioxide
member: 2,3,3',4,4',5,5 '-heptachlorobifenyl
member: pcb 167
member: distikstofoxide (n2o)
member: dimethylformamide
member: PCB 81
member: 1-chloor-2,3-epoxypropaan (epichloorhydrine)
member: 1,4-dioxaan
member: acetaldehyde
member: para-xyleen
member: koolstofdioxide
member: n-propanol
member: t-butanol
member: platina
member: waterstofsulfide
member: ethylacrylaat
member: acrylonitrile

2-methylbutaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 68923-44-4
cas number: 78-78-4
cas number: 70024-92-9
cas number: 68513-65-5
cas number: 92046-46-3
formula: C5H12
inchi: InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
iupac name: 2-Methylbutane @en
pubchem: 6556
smiles: CCC(C)C
inchikey: QWTDNUCVQCZILF-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC4a

erucazuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 112-86-7
formula: C22H42O2
iupac name: (Z)-Docos-13-enoic acid @en
pubchem: 5281116
smiles: CCCCCCCCC=CCCCCCCCCCCCC(=O)O
inchikey: DPUOLQHDNGRHBS-KTKRTIGZSA-N
broader: CHEMONTID_0002950
in scheme: Conceptschema Chemische Stoffen
notation: erczr

iso-boterzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 79-31-2
formula: C4H8O2
inchi: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
iupac name: 2-Methylpropanoic acid @en
pubchem: 6590
smiles: CC(C)C(=O)O
inchikey: KQNPFQTWMSNSAP-UHFFFAOYSA-N
broader: CHEMONTID_0001205
in scheme: Conceptschema Chemische Stoffen
notation: ibtzr

tri-m-cresylfosfaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 563-04-2
formula: C21H21O4P
inchi: InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3
iupac name: tris(3-methylphenyl) phosphate @en
pubchem: 11232
inchikey: RMLPZKRPSQVRAB-UHFFFAOYSA-N
broader: CHEMONTID_0004619
in scheme: Conceptschema Chemische Stoffen
notation: TmcsPO4

alfa-hexachloorcyclohexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 319-84-6
formula: C6H6Cl6
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m1/s1
iupac name: (1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en
inchikey: JLYXXMFPNIAWKQ-SHFUYGGZSA-N
alternative label: α-hexachlorocyclohexaan
alternative label: α-lindaan
broader: CHEMONTID_0004485
in scheme: Conceptschema Chemische Stoffen
notation: aHCH

methoprotryn
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 841-06-5
formula: C11H21N5OS
inchi: InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)
iupac name: N'-(3-methoxypropyl)-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
pubchem: 13290
smiles: CC(C)NC1=NC(=NC(=N1)NCCCOC)SC
inchikey: DDUIUBPJPOKOMV-UHFFFAOYSA-N
broader: CHEMONTID_0004735
in scheme: Conceptschema Chemische Stoffen
notation: metptn

1,2,3,4,6,7,8-heptachloordibenzofuraan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
cas number: 38998-75-3
cas number: 67562-39-4
cas number: 67652-39-5
formula: C12HCl7O
inchi: InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H
iupac name: 1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN @en
pubchem: 38199
inchikey: WDMKCPIVJOGHBF-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,4,6,7,8-heptachloordibenzofuran
alternative label: 1,2,3,4,6,7,8-heptachloordibenzofuraan (hpcdf)
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF131

chroom (zeswaardig)
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 18540-29-9
formula: Cr+6
inchi: InChI=1S/Cr/q+6
iupac name: chromium(+6) cation @en
pubchem: 29131
smiles: [Cr+6]
inchikey: JOPOVCBBYLSVDA-UHFFFAOYSA-N
alternative label: chroom, zeswaardig
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: CrVI

4-methylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 26915-12-8
cas number: 106-49-0
cas number: 12221-03-3
cas number: 25640-74-8
formula: C7H9N
inchi: InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
iupac name: 4-Methylaniline @en
pubchem: 7813
smiles: CC1=CC=C(C=C1)N
inchikey: RZXMPPFPUUCRFN-UHFFFAOYSA-N
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 4C1yAn

clozapine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5786-21-0
formula: C18H19ClN4
inchi: InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
iupac name: 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]benzodiazepine @en
pubchem: 2818
inchikey: ZUXABONWMNSFBN-UHFFFAOYSA-N
broader: CHEMONTID_0000072
in scheme: Conceptschema Chemische Stoffen
notation: clozpne

dinobuton
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 62655-72-5
cas number: 61840-20-8
cas number: 973-21-7
formula: C14H18N2O7
inchi: InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3
iupac name: (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate @en
pubchem: 13783
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C
inchikey: HDWLUGYOLUHEMN-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: Dnbtn

tolbutamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 64-77-7
cas number: 100735-34-0
formula: C12H18N2O3S
inchi: InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
iupac name: 1-butyl-3-(4-methylphenyl)sulfonylurea @en
pubchem: 5505
smiles: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
inchikey: JLRGJRBPOGGCBT-UHFFFAOYSA-N
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: tolbAd

hydrochloorthiazide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 58-93-5
cas number: 8049-49-8
cas number: 125727-50-6
formula: C7H8ClN3O4S2
inchi: InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
iupac name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide @en
pubchem: 3639
inchikey: JZUFKLXOESDKRF-UHFFFAOYSA-N
broader: CHEMONTID_0004292
in scheme: Conceptschema Chemische Stoffen
notation: HCltazde

butyltetradecanoaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 110-36-1
formula: C18H36O2
inchi: InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3
iupac name: Butyl tetradecanoate @en
pubchem: 8047
smiles: CCCCCCCCCCCCCC(=O)OCCCC
inchikey: DHAZIUXMHRHVMP-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: C4yC14aoat

diboortrioxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1303-86-2
formula: B2O3
inchi: InChI=1S/B2O3/c3-1-5-2-4
iupac name: oxo-oxoboranyloxyborane @en
pubchem: 518682
smiles: B(=O)OB=O
inchikey: JKWMSGQKBLHBQQ-UHFFFAOYSA-N
broader: CHEMONTID_0000534
in scheme: Conceptschema Chemische Stoffen
notation: B2O3

magnesiumoxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 187036-80-2
cas number: 82375-77-7
cas number: 185461-91-0
cas number: 1309-48-4
cas number: 13589-16-7
cas number: 52933-73-0
formula: MgO
inchi: InChI=1S/Mg.O
iupac name: oxomagnesium @en
pubchem: 14792
smiles: O=[Mg]
inchikey: CPLXHLVBOLITMK-UHFFFAOYSA-N
broader: CHEMONTID_0000546
in scheme: Conceptschema Chemische Stoffen
notation: MgO

triacetonamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 33973-59-0
cas number: 826-36-8
formula: C9H18ClNO
inchi: InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H
iupac name: 2,2,6,6-Tetramethylpiperidin-4-one hydrochloride @en
pubchem: 94452
smiles: CC1(CC(=O)CC(N1)(C)C)C.Cl
inchikey: ZXNWYMNKYXUZGM-UHFFFAOYSA-N
broader: CHEMONTID_0001581
in scheme: Conceptschema Chemische Stoffen
notation: TactnAe

dimethylditetradecylammonium bromide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 68105-02-2
formula: C30H64BrN
inchi: InChI=1S/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1
iupac name: dimethyl-di(tetradecyl)azanium bromide @en
pubchem: 3017829
smiles: CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-]
inchikey: IRMGVPILCPGYNQ-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: DC1yDC14yNH4

microcystine-lr
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 101043-37-2
formula: C49H74N10O12
inchi: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
iupac name: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
pubchem: 445434
inchikey: ZYZCGGRZINLQBL-GWRQVWKTSA-N
alternative label: microcystine-LR
broader: CHEMONTID_0002010
in scheme: Conceptschema Chemische Stoffen
notation: MC-LR

lufenuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 103055-07-8
formula: C17H8Cl2F8N2O3
iupac name: N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide @en
pubchem: 71777
inchikey: PWPJGUXAGUPAHP-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: lufnrn

ancymidol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 51025-96-8
cas number: 33712-16-2
cas number: 50642-61-0
cas number: 12771-68-5
formula: C15H16N2O2
inchi: InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3
iupac name: cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol @en
pubchem: 25572
smiles: COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O
inchikey: HUTDUHSNJYTCAR-UHFFFAOYSA-N
broader: CHEMONTID_0000138
in scheme: Conceptschema Chemische Stoffen
notation: ancmdl

ketoconazol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 65277-42-1
formula: C26H28Cl2N4O4
iupac name: 1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone @en
pubchem: 47576
inchikey: XMAYWYJOQHXEEK-ZEQKJWHPSA-N
broader: CHEMONTID_0001984
in scheme: Conceptschema Chemische Stoffen

chloormequatchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 8073-20-9
cas number: 999-81-5
cas number: 39394-21-3
formula: C5H13Cl2N
inchi: InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
iupac name: 2-chloroethyl-trimethylazanium chloride @en
pubchem: 13836
smiles: C[N+](C)(C)CCCl.[Cl-]
inchikey: UHZZMRAGKVHANO-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: ClmqCl

hexabroom-1,1'-bifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 82865-89-2
cas number: 36355-01-8
formula: C12H4Br6
inchi: InChI=1S/C12H4Br6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H
iupac name: 1,2,3-tribromo-4-(2,3,4-tribromophenyl)benzene @en
pubchem: 154482
inchikey: PTJQVJQAZSLKJO-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: HxBr11bFy

C.I. Basic Red 1
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 989-38-8
formula: C28H31ClN2O3
inchi: InChI=1S/C28H30N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29H,6-8H2,1-5H3;1H
iupac name: ethyl 2-(3-ethylamino-6-ethylimino-2,7-dimethylxanthen-9-yl)benzoate hydrochloride @en
pubchem: 13806
smiles: CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-]
inchikey: VYXSBFYARXAAKO-UHFFFAOYSA-N
alternative label: c.i. basic red 1
broader: CHEMONTID_0000200
in scheme: Conceptschema Chemische Stoffen
notation: cibrd1

pyridafention
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 119-12-0
formula: C14H17N2O4PS
inchi: InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
iupac name: 6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one @en
pubchem: 8381
inchikey: CXJSOEPQXUCJSA-UHFFFAOYSA-N
broader: CHEMONTID_0004623
in scheme: Conceptschema Chemische Stoffen
notation: pyrdfton

pyraflufen-ethyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 129630-19-9
formula: C15H13Cl2F3N2O4
iupac name: ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate @en
pubchem: 182951
inchikey: APTZNLHMIGJTEW-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: pyrffnC2y

dimethylbutaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 75-83-2
formula: C6H14
inchi: InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
iupac name: 2,2-Dimethylbutane @en
pubchem: 6403
smiles: CCC(C)(C)C
inchikey: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: DC1yC4a

butylhexadecanoaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 111-06-8
formula: C20H40O2
inchi: InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
iupac name: Butyl hexadecanoate @en
pubchem: 8090
smiles: CCCCCCCCCCCCCCCC(=O)OCCCC
inchikey: GLYJVQDYLFAUFC-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: C4yC16aoat

dimethylsulfoxide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8070-53-9
cas number: 67-68-5
cas number: 164071-41-4
formula: C2H6OS
inchi: InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
iupac name: Methylsulfinylmethane @en
pubchem: 679
smiles: CS(=O)C
inchikey: IAZDPXIOMUYVGZ-UHFFFAOYSA-N
broader: CHEMONTID_0000491
in scheme: Conceptschema Chemische Stoffen
notation: DC1ySO

lood 214
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15067-28-4
formula: Pb
inchi: InChI=1S/Pb/i1+7
iupac name: lead-214 @en
pubchem: 6328551
smiles: [Pb]
inchikey: WABPQHHGFIMREM-RKEGKUSMSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Pb214

2-methyl-5-(methylthio)furan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13678-59-6
formula: C6H8OS
inchi: InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3
iupac name: 2-methyl-5-methylsulfanylfuran @en
pubchem: 61657
smiles: CC1=CC=C(O1)SC
inchikey: RESBOJMQOGJOMW-UHFFFAOYSA-N
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y5C1ytofr

tripropylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 112488-51-4
cas number: 102-69-2
formula: C9H21N
inchi: InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
iupac name: N,N-dipropylpropan-1-amine @en
pubchem: 7616
smiles: CCCN(CCC)CCC
inchikey: YFTHZRPMJXBUME-UHFFFAOYSA-N
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
notation: TC3yAe

cypermethrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 69865-47-0
cas number: 186554-45-0
cas number: 88161-75-5
cas number: 71697-59-1
cas number: 137497-61-1
cas number: 159940-28-0
cas number: 52315-07-8
cas number: 146909-55-9
cas number: 142443-95-6
cas number: 139203-31-9
cas number: 97955-44-7
cas number: 86752-99-0
cas number: 86753-92-6
formula: C22H19Cl2NO3
inchi: InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 2912
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
inchikey: KAATUXNTWXVJKI-UHFFFAOYSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: cypmtn

4-nitrotolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 99-99-0
formula: C7H7NO2
inchi: InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
iupac name: ['N,N-dihydroxy-4-methylaniline', '1-Methyl-4-nitrobenzene'] @en
pubchem: 7473
smiles: CC1=CC=C(C=C1)[N+](=O)[O-]
inchikey: ZPTVNYMJQHSSEA-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 4NO2Tol

sulfiet
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14265-45-3
formula: O3S-2
inchi: InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
iupac name: sulfite @en
pubchem: 1099
smiles: [O-]S(=O)[O-]
inchikey: LSNNMFCWUKXFEE-UHFFFAOYSA-L
broader: CHEMONTID_0001078
in scheme: Conceptschema Chemische Stoffen
notation: SO3-2

pyridine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 152758-95-7
cas number: 45410-39-7
cas number: 6999-00-4
cas number: 82005-06-9
cas number: 163392-20-9
cas number: 85404-19-9
cas number: 110-86-1
cas number: 85404-20-2
cas number: 62301-32-0
formula: C5H5N
inchi: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
iupac name: Pyridine @en
pubchem: 1049
smiles: C1=CC=NC=C1
inchikey: JUJWROOIHBZHMG-UHFFFAOYSA-N
broader: CHEMONTID_0000089
in scheme: Conceptschema Chemische Stoffen
notation: pyrdne

2-methyl-2h-isothiazool-3-on
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2682-20-4
cas number: 26172-54-3
cas number: 116680-95-6
formula: C4H6ClNOS
inchi: InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H
iupac name: 2-methyl-1,2-thiazol-3-one hydrochloride @en
pubchem: 117746
smiles: CN1C(=O)C=CS1.Cl
inchikey: SJXPQSRCFCPWQQ-UHFFFAOYSA-N
alternative label: 2-methyl-2H-isothiazool-3-on
broader: CHEMONTID_0000095
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y2Hitaz3o

3,3',4,4',5,5'-hexabroombifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 60044-26-0
formula: C12H4Br6
inchi: InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
iupac name: 1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene @en
pubchem: 104942
inchikey: UXOOFXUEODCAIP-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: PBB169

ethidimuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 30043-49-3
formula: C7H12N4O3S2
inchi: InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)
iupac name: 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea @en
pubchem: 91596
smiles: CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC
inchikey: KCOCSOWTADCKOL-UHFFFAOYSA-N
broader: CHEMONTID_0000093
in scheme: Conceptschema Chemische Stoffen
notation: etdmrn

1-pentaanthiol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 110-66-7
formula: C5H12S
inchi: InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
iupac name: pentane-1-thiol @en
pubchem: 8067
smiles: CCCCCS
inchikey: ZRKMQKLGEQPLNS-UHFFFAOYSA-N
broader: CHEMONTID_0001212
in scheme: Conceptschema Chemische Stoffen
notation: 1C5atol

broomdichloorazijnzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 71133-14-7
formula: C2HBrCl2O2
inchi: InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)
iupac name: 2-bromo-2,2-dichloroacetic acid @en
pubchem: 114809
smiles: C(=O)(C(Cl)(Cl)Br)O
inchikey: XSWVFEQKZFUULO-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: BrDClHAc

foraat-sulfoxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2588-03-6
formula: C7H17O3PS3
inchi: InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3
iupac name: diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidenephosphorane @en
pubchem: 17424
smiles: CCOP(=S)(OCC)SCS(=O)CC
inchikey: XRQHTUDGPWMPKX-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: forsfOxd

benzethonium chloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 5929-09-9
cas number: 39362-38-4
cas number: 121-54-0
formula: C27H42ClNO2
inchi: InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
iupac name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride @en
pubchem: 8478
smiles: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
inchikey: UREZNYTWGJKWBI-UHFFFAOYSA-M
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: BentnmCl

tridecanal
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 10486-19-8
formula: C13H26O
inchi: InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
iupac name: TRIDECANAL @en
pubchem: 25311
smiles: CCCCCCCCCCCCC=O
inchikey: BGEHHAVMRVXCGR-UHFFFAOYSA-N
broader: CHEMONTID_0000298
in scheme: Conceptschema Chemische Stoffen
notation: C13al

ceftazidime
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 72558-82-8
formula: C22H22N6O7S2
inchi: InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1
iupac name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
pubchem: 5481173
inchikey: ORFOPKXBNMVMKC-DWVKKRMSSA-N
broader: CHEMONTID_0000173
in scheme: Conceptschema Chemische Stoffen
notation: ceftzdme

2,4-di-tertiair-butylfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 96-76-4
cas number: 50356-26-8
formula: C14H22O
inchi: InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
iupac name: 2,4-ditert-butylphenol @en
pubchem: 7311
smiles: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
inchikey: ICKWICRCANNIBI-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 24DttC4yFol

broompyrolaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 596-51-0
cas number: 53808-86-9
formula: C19H28BrNO3
inchi: InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1
iupac name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide @en
pubchem: 11693
inchikey: VPNYRYCIDCJBOM-UHFFFAOYSA-M
alternative label: pyrolaat
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: pyrlt
notation: Brprlt

methylisocyanaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 30108-95-3
cas number: 624-83-9
formula: C2H3NO
inchi: InChI=1S/C2H3NO/c1-3-2-4/h1H3
iupac name: methylimino-oxomethane @en
pubchem: 12228
smiles: CN=C=O
inchikey: HAMGRBXTJNITHG-UHFFFAOYSA-N
broader: CHEMONTID_0000501
in scheme: Conceptschema Chemische Stoffen
notation: C1yicnt

2-chloor-5-nitroaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6283-25-6
formula: C6H5ClN2O2
inchi: InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
iupac name: 2-Chloro-5-nitroaniline @en
pubchem: 22691
smiles: C1=CC(=C(C=C1[N+](=O)[O-])N)Cl
inchikey: KWIXNFOTNVKIGM-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl5NO2An

difenylsulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 127-63-9
formula: C12H10O2S
inchi: InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
iupac name: phenylsulfonylbenzene @en
pubchem: 31386
smiles: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
inchikey: KZTYYGOKRVBIMI-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: Dfysfn

trichlooracetylchloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 76-02-8
formula: C2Cl4O
inchi: InChI=1S/C2Cl4O/c3-1(7)2(4,5)6
iupac name: 2,2,2-trichloroacetyl chloride @en
pubchem: 6420
smiles: C(=O)(C(Cl)(Cl)Cl)Cl
inchikey: PVFOMCVHYWHZJE-UHFFFAOYSA-N
broader: CHEMONTID_0001022
in scheme: Conceptschema Chemische Stoffen
notation: T4ClC2al

2,3,5,6-tetrachloorfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 935-95-5
formula: C6H2Cl4O
inchi: InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
iupac name: 2,3,5,6-TETRACHLOROPHENOL @en
pubchem: 13636
smiles: C1=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl
inchikey: KEWNKZNZRIAIAK-UHFFFAOYSA-N
broader: CHEMONTID_0002771
in scheme: Conceptschema Chemische Stoffen
notation: 2356T4ClFol

kalium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-09-07
formula: K
inchi: InChI=1S/K
iupac name: potassium @en
pubchem: 5462222
smiles: [K]
inchikey: ZLMJMSJWJFRBEC-UHFFFAOYSA-N
broader: CHEMONTID:0000425
in scheme: Conceptschema Chemische Stoffen
notation: K

aluminiumhydroxychloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 32056-15-8
cas number: 101707-17-9
cas number: 64441-77-6
cas number: 245064-40-8
cas number: 8012-66-6
cas number: 39380-80-8
cas number: 1327-41-9
cas number: 143230-54-0
cas number: 79586-02-0
cas number: 56803-01-1
cas number: 162535-15-1
cas number: 135864-70-9
cas number: 195436-38-5
cas number: 41630-01-7
cas number: 56831-66-4
cas number: 11097-68-0
cas number: 125690-94-0
cas number: 144388-28-3
cas number: 7446-70-0
cas number: 37226-46-3
cas number: 84861-98-3
cas number: 167140-05-8
cas number: 114442-10-3
formula: AlCl3
inchi: InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3
iupac name: ['trichloroalumane', 'Aluminum trichloride'] @en
pubchem: 24012
smiles: [Al](Cl)(Cl)Cl
inchikey: VSCWAEJMTAWNJL-UHFFFAOYSA-K
broader: CHEMONTID_0000573
in scheme: Conceptschema Chemische Stoffen
notation: AlHOxCl

quinalfos
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 54511-12-5
cas number: 13593-03-8
cas number: 37331-41-2
formula: C12H15N2O3PS
inchi: InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
iupac name: diethoxy-quinoxalin-2-yloxy-sulfanylidenephosphorane @en
pubchem: 26124
smiles: CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1
inchikey: JYQUHIFYBATCCY-UHFFFAOYSA-N
broader: CHEMONTID_0000486
in scheme: Conceptschema Chemische Stoffen
notation: quinfs

trimethylfosfaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 91316-44-8
cas number: 512-56-1
formula: C3H9O4P
inchi: InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
iupac name: ['hydroxy-trimethoxyphosphanium', 'Trimethyl phosphate'] @en
pubchem: 10541
smiles: COP(=O)(OC)OC
inchikey: WVLBCYQITXONBZ-UHFFFAOYSA-N
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
notation: TC1yPO4

2-(2-butoxyethoxy)ethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 112-34-5
cas number: 210818-08-9
formula: C8H18O3
inchi: InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
iupac name: 2-(2-Butoxyethoxy)ethanol @en
pubchem: 8177
smiles: CCCCOCCOCCO
inchikey: OAYXUHPQHDHDDZ-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 22C4oxC2oxC2

1,4-dioxaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 39449-24-6
cas number: 54841-74-6
cas number: 123-91-1
cas number: 28347-88-8
cas number: 28347-91-3
formula: C4H8O2
inchi: InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
iupac name: 1,4-Dioxane @en
pubchem: 31275
smiles: C1COCCO1
inchikey: RYHBNJHYFVUHQT-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 008
is referenced by: LUC IV 000
broader: CHEMONTID_0001313
in scheme: Conceptschema Chemische Stoffen
notation: 14DOxan

di-(2,3,3,3-tetrachloorpropyl)ether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 127-90-2
formula: C6H6Cl8O
inchi: InChI=1S/C6H6Cl8O/c7-3(1-5(9,10)11)15-4(8)2-6(12,13)14/h3-4H,1-2H2
iupac name: 1,1,1,3-tetrachloro-3-(1,3,3,3-tetrachloropropoxy)propane @en
pubchem: 31393
smiles: C(C(OC(CC(Cl)(Cl)Cl)Cl)Cl)C(Cl)(Cl)Cl
inchikey: YEHHNHSVUHPNNT-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: D2333T4ClC3y

nonaanzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 58253-02-4
cas number: 68937-75-7
cas number: 112-05-0
formula: C9H18O2
inchi: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
iupac name: Nonanoic acid @en
pubchem: 8158
smiles: CCCCCCCCC(=O)O
inchikey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: C9azr

metribuzin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 21087-64-9
formula: C8H14N4OS
inchi: InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
iupac name: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one @en
pubchem: 30479
smiles: CC(C)(C)C1=NN=C(N(C1=O)N)SC
inchikey: FOXFZRUHNHCZPX-UHFFFAOYSA-N
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
notation: metbzn

1,1-dichloorpropeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 563-58-6
formula: C3H4Cl2
inchi: InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3
iupac name: 1,1-dichloroprop-1-ene @en
pubchem: 11245
smiles: CC=C(Cl)Cl
inchikey: ZAIDIVBQUMFXEC-UHFFFAOYSA-N
broader: CHEMONTID_0001168
in scheme: Conceptschema Chemische Stoffen
notation: 11DClC3e

trifluorjoodmethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 263005-66-9
cas number: 2314-97-8
formula: CF3I
inchi: InChI=1S/CF3I/c2-1(3,4)5
iupac name: trifluoro-iodomethane @en
pubchem: 16843
smiles: C(F)(F)(F)I
inchikey: VPAYJEUHKVESSD-UHFFFAOYSA-N
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: TFIC1a

3-methylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 108-44-1
formula: C7H9N
inchi: InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
iupac name: 3-Methylaniline @en
pubchem: 7934
smiles: CC1=CC(=CC=C1)N
inchikey: JJYPMNFTHPTTDI-UHFFFAOYSA-N
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yAn

dibenzo(a,h)anthraceen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II (D2)
comment: VLAR II bijl. 4.4.2
cas number: 56-56-4
cas number: 53-70-3
formula: C22H14
inchi: InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
iupac name: naphtho[1,2-b]phenanthrene @en
pubchem: 5889
inchikey: LHRCREOYAASXPZ-UHFFFAOYSA-N
is referenced by: LUC VI 001
alternative label: dibenzo(a,h)an-traceen
alternative label: dibenzo(a,h)antraceen
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: DBahAnt

curium 247
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15758-32-4
formula: Cm
inchi: InChI=1S/Cm/i1+0
iupac name: curium-247 @en
pubchem: 167403
smiles: [Cm]
inchikey: NIWWFAAXEMMFMS-IGMARMGPSA-N
in scheme: Conceptschema Chemische Stoffen
notation: Cm247

cloprostenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 40665-92-7
cas number: 55028-72-3
formula: C22H28ClNaO6
inchi: InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19?,20+,21-;/m1./s1
iupac name: sodium (Z)-7-[(1R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate @en
pubchem: 6436024
inchikey: IFEJLMHZNQJGQU-UDEWSXLWSA-M
in scheme: Conceptschema Chemische Stoffen
notation: cloptnl

2-methoxynaftaleen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 93-04-9
formula: C11H10O
inchi: InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
iupac name: 2-Methoxynaphthalene @en
pubchem: 7119
smiles: COC1=CC2=CC=CC=C2C=C1
inchikey: LUZDYPLAQQGJEA-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 2C1oxNaf

alloxydim
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 55634-91-8
formula: C17H25NO5
inchi: InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,18H,2,6,8-10H2,1,3-5H3/b13-11-
iupac name: methyl (5Z)-2,2-dimethyl-4,6-dioxo-5-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1-carboxylate @en
pubchem: 3034433
inchikey: CBLVUXPPNHUKDE-QBFSEMIESA-N
broader: CHEMONTID_0000133
in scheme: Conceptschema Chemische Stoffen
notation: allxdm

rubidium
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7440-17-7
cas number: 15438-27-4
cas number: 22438-27-3
formula: Rb
inchi: InChI=1S/Rb
iupac name: RUBIDIUM @en
pubchem: 5357696
smiles: [Rb]
inchikey: IGLNJRXAVVLDKE-UHFFFAOYSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Rb

tribroometheen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 598-16-3
formula: C2HBr3
inchi: InChI=1S/C2HBr3/c3-1-2(4)5/h1H
iupac name: 1,1,2-tribromoethene @en
pubchem: 11712
smiles: C(=C(Br)Br)Br
inchikey: OZVJKTHTULCNHB-UHFFFAOYSA-N
broader: CHEMONTID_0002864
in scheme: Conceptschema Chemische Stoffen
notation: TBrC2e

2-chloor-5-nitrotolueen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 13290-74-9
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
iupac name: 1-Chloro-2-methyl-4-nitrobenzene @en
pubchem: 83315
smiles: CC1=C(C=CC(=C1)[N+](=O)[O-])Cl
inchikey: BGDCQZFFNFXYQC-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl5NO2Tol

1,4-diethoxybenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 122-95-2
formula: C10H14O2
inchi: InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3
iupac name: 1,4-Diethoxybenzene @en
pubchem: 67150
smiles: CCOC1=CC=C(C=C1)OCC
inchikey: VWGNFIQXBYRDCH-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: 14DC2oxBen

beta-broom-beta-nitrostyreen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7166-19-0
formula: C8H6BrNO2
inchi: InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H/b8-6-
iupac name: [(E)-2-bromo-2-nitroethenyl]benzene @en
pubchem: 6433494
smiles: C1=CC=C(C=C1)C=C([N+](=O)[O-])Br
inchikey: SKDNDVDHYMEGNJ-VURMDHGXSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: bBrbNO2srn

vigabatrine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 74046-07-4
cas number: 60643-86-9
formula: C6H11NO2
inchi: InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
iupac name: 4-aminohex-5-enoic acid @en
pubchem: 5665
smiles: C=CC(CCC(=O)O)N
inchikey: PJDFLNIOAUIZSL-UHFFFAOYSA-N
broader: CHEMONTID_0001880
in scheme: Conceptschema Chemische Stoffen
notation: vigbtne

fipronil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 120068-37-3
formula: C12H4Cl2F6N4OS
iupac name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile @en
pubchem: 3352
smiles: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
inchikey: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: fipnl

pp'dichloordifenyltrichloorethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 50-29-3
formula: C14H9Cl5
inchi: InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
iupac name: 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene @en
pubchem: 3036
inchikey: YVGGHNCTFXOJCH-UHFFFAOYSA-N
alternative label: p,p’-ddt
alternative label: p,p'-ddt
alternative label: 4,4'-dichloordifenyltrichloorethaan
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 44DDT

1,8-cineole
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 10458-11-4
cas number: 8024-53-1
cas number: 470-82-6
cas number: 8024-52-0
formula: 0
inchi: InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
iupac name: 4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane @en
smiles: 0
inchikey: WEEGYLXZBRQIMU-WAAGHKOSSA-N
broader: CHEMONTID_0002012
in scheme: Conceptschema Chemische Stoffen
notation: 18cinole

eprosartan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 133040-01-4
formula: C23H24N2O4S
inchi: InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
iupac name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid @en
pubchem: 5281037
inchikey: OROAFUQRIXKEMV-LDADJPATSA-N
broader: CHEMONTID_0002565
in scheme: Conceptschema Chemische Stoffen
notation: epstn

n-ethylperfluor-n-octaansulfonamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4151-50-2
formula: C10H6F17NO2S
inchi: InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3
iupac name: N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide @en
pubchem: 77797
inchikey: CCEKAJIANROZEO-UHFFFAOYSA-N
alternative label: n-ethyl perfluoroctaansulfonamide
alternative label: n-ethylperfluor-n-octaansulfonamide (etpfosa)
alternative label: N-ethylperfluoroctaansulfonamide
alternative label: N-ethyl perfluoroctaansulfonamide
alternative label: n-ethylperfluoroctaan-1-sulfonamide (etpfosa)
broader: CHEMONTID_0003960
in scheme: Conceptschema Chemische Stoffen
notation: EtFOSA
notation: EtPFOSA

Kobalt
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'
comment: VLAR III (D3) 'Kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'
comment: VLAR III (D3, diverse art) 'Co'
comment: VLAR II bijl. 4.4.2 'kobalt en zijn verbindingen, uitgedrukt in Co'
cas number: 16610-75-6
cas number: 7440-48-4
formula: Co
inchi: InChI=1S/Co
iupac name: Cobalt @en
pubchem: 104730
smiles: [Co]
inchikey: GUTLYIVDDKVIGB-UHFFFAOYSA-N
is referenced by: LUC III 010
is referenced by: LUC I 002
alternative label: kobalt
alternative label: kobalt (Co)
broader: CHEMONTID_0000426
definition: kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)
in scheme: Conceptschema Chemische Stoffen
notation: Co

nuarimol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 75872-04-7
cas number: 109023-55-4
cas number: 63284-71-9
formula: C17H12ClFN2O
inchi: InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H
iupac name: (2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol @en
pubchem: 91683
inchikey: SAPGTCDSBGMXCD-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: nuarml

allylalcohol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 107-18-6
formula: C3H6O
inchi: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
iupac name: prop-2-en-1-ol @en
pubchem: 7858
smiles: C=CCO
inchikey: XXROGKLTLUQVRX-UHFFFAOYSA-N
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
notation: allachl

azacyclotridecan-2-on
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 947-04-6
cas number: 25038-74-8
cas number: 115296-76-9
cas number: 125081-69-8
cas number: 161865-23-2
cas number: 148308-40-1
cas number: 115296-77-0
cas number: 70099-82-0
formula: C12H23NO
inchi: InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
iupac name: 1-azacyclotridecan-2-one @en
pubchem: 13690
smiles: C1CCCCCC(=O)NCCCCC1
inchikey: JHWNWJKBPDFINM-UHFFFAOYSA-N
broader: CHEMONTID_0000064
in scheme: Conceptschema Chemische Stoffen
notation: azccC13on2

4-methyl-2-pentanon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 108-10-1
formula: C6H12O
inchi: InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
iupac name: 4-Methylpentan-2-one @en
pubchem: 7909
smiles: CC(C)CC(=O)C
inchikey: NTIZESTWPVYFNL-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 007
is referenced by: LUC IV 000
alternative label: 4-methyl-2-pentanon (mibk)
alternative label: 4-methyl-2-pentanon (MIBK)
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 4C1y2C5on

2,3,5,6-tetrachlooraniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3481-20-7
formula: C6H3Cl4N
inchi: InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
iupac name: 2,3,5,6-Tetrachloroaniline @en
pubchem: 18998
smiles: C1=C(C(=C(C(=C1Cl)Cl)N)Cl)Cl
inchikey: YTDHEFNWWHSXSU-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 2356T4ClAn

acetochloor
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 34256-82-1
cas number: 123113-74-6
formula: C14H20ClNO2
inchi: InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
iupac name: 2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide @en
pubchem: 1988
smiles: CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C
inchikey: VTNQPKFIQCLBDU-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: actCl

9-Chloorhexadecafluor-3-oxanonaansulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 73606-19-6
formula: C8ClF16KO4S
inchi: InChI=1S/C8HClF16O4S.K/c9-5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)29-7(22,23)8(24,25)30(26,27)28;/h(H,26,27,28);/q;+1/p-1
iupac name: potassium;2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexoxy)-1,1,2,2-tetrafluoroethanesulfonate @en
pubchem: 25210512
inchikey: OWQCHLFKOGVODW-UHFFFAOYSA-M
broader: CHEMONTID_0001179
in scheme: Conceptschema Chemische Stoffen
notation: 9Cl-PF3ONS

oxytetracycline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6153-64-6
formula: C22H28N2O11
inchi: InChI=1S/C22H24N2O9.2H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;2*1H2/b20-11-;;/t12-,13-,14+,17+,21-,22+;;/m1../s1
iupac name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrate @en
pubchem: 5282371
inchikey: QRTMTZAUGTXZOA-ZGYDFYMOSA-N
broader: CHEMONTID_0000181
in scheme: Conceptschema Chemische Stoffen
notation: OxT4ccne

1,4,5,8-tetraamino-9,10-anthrachinon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2475-45-8
formula: C14H12N4O2
inchi: InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2
iupac name: 1,4,5,8-tetraaminoanthracene-9,10-dione @en
pubchem: 17190
inchikey: JSFUMBWFPQSADC-UHFFFAOYSA-N
broader: CHEMONTID_0000151
in scheme: Conceptschema Chemische Stoffen
notation: 1458T4Ao910a

aziprotryn
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4658-28-0
formula: C7H11N7S
inchi: InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)
iupac name: 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine @en
pubchem: 3032472
smiles: CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]
inchikey: AFIIBUOYKYSPKB-UHFFFAOYSA-N
broader: CHEMONTID_0004735
in scheme: Conceptschema Chemische Stoffen
notation: azptn

buminafos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51249-05-9
cas number: 60327-85-7
formula: C18H38NO3P
inchi: InChI=1S/C18H38NO3P/c1-4-7-15-19-18(13-11-10-12-14-18)23(20,21-16-8-5-2)22-17-9-6-3/h19H,4-17H2,1-3H3
iupac name: N-butyl-1-dibutoxyphosphorylcyclohexan-1-amine @en
pubchem: 39966
smiles: CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC
inchikey: NMBXMBCZBXUXAM-UHFFFAOYSA-N
broader: CHEMONTID_0004482
in scheme: Conceptschema Chemische Stoffen
notation: bumnfs

cerium 141
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13967-74-3
formula: Ce
inchi: InChI=1S/Ce/i1+1
iupac name: cerium-141 @en
pubchem: 104814
smiles: [Ce]
inchikey: GWXLDORMOJMVQZ-OUBTZVSYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Ce141

butylparabeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 94-26-8
cas number: 8068-49-3
formula: C11H14O3
inchi: InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
iupac name: Butyl 4-hydroxybenzoate @en
pubchem: 7184
smiles: CCCCOC(=O)C1=CC=C(C=C1)O
inchikey: QFOHBWFCKVYLES-UHFFFAOYSA-N
broader: CHEMONTID_0004702
in scheme: Conceptschema Chemische Stoffen
notation: C4yprbn

triallaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2303-17-5
formula: C10H16Cl3NOS
inchi: InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
iupac name: S-(2,3,3-trichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate @en
pubchem: 5543
smiles: CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl
inchikey: MWBPRDONLNQCFV-UHFFFAOYSA-N
broader: CHEMONTID_0001368
in scheme: Conceptschema Chemische Stoffen
notation: Talt

3-chloorpropeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 107-05-1
formula: C3H5Cl
inchi: InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
iupac name: 3-chloroprop-1-ene @en
pubchem: 7850
smiles: C=CCCl
inchikey: OSDWBNJEKMUWAV-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 3ClC3e

metoprololzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 56392-14-4
formula: C14H21NO4
inchi: InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)
iupac name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid @en
pubchem: 62936
smiles: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O
inchikey: PUQIRTNPJRFRCZ-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: metpllzr

hexadecafluorheptaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 335-57-9
cas number: 156930-32-4
formula: C7F16
inchi: InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23
iupac name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane @en
pubchem: 9553
inchikey: LGUZHRODIJCVOC-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: hexdcFC7a

4-chloor-n-methylaniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 932-96-7
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
iupac name: 4-Chloro-N-methylaniline @en
pubchem: 70272
smiles: CNC1=CC=C(C=C1)Cl
inchikey: XCEYKKJMLOFDSS-UHFFFAOYSA-N
alternative label: 4-chloor-N-methylaniline
broader: CHEMONTID_0003924
in scheme: Conceptschema Chemische Stoffen
notation: 4ClNC1yAn

heptachloor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 76-44-8
cas number: 37229-06-4
cas number: 23720-59-4
formula: C10H5Cl7
inchi: InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
iupac name: 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene @en
pubchem: 3589
inchikey: FRCCEHPWNOQAEU-UHFFFAOYSA-N
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: HpCl

chloorthiofos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 60238-56-4
formula: C11H15Cl2O3PS2
iupac name: (3,4-dichloro-5-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane @en
pubchem: 43239
smiles: CCOP(=S)(OCC)OC1=CC(=C(C(=C1)Cl)Cl)SC
inchikey: SBLPWPLKGFWLKK-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: cltofs

4-ethylbenzoezuur methylester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7364-20-7
formula: C10H12O2
inchi: InChI=1S/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3
iupac name: Methyl 4-ethylbenzoate @en
pubchem: 23827
smiles: CCC1=CC=C(C=C1)C(=O)OC
inchikey: CAABRJFUDNBRJZ-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: 4C2ybzezC1yE

dichloorprop-P
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15165-67-0
formula: C9H8Cl2O3
inchi: InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1
iupac name: (2R)-2-(2,4-dichlorophenoxy)propanoic acid @en
pubchem: 119435
smiles: CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
inchikey: MZHCENGPTKEIGP-RXMQYKEDSA-N
alternative label: dichloorprop-p
broader: CHEMONTID_0004676
in scheme: Conceptschema Chemische Stoffen
notation: DClppP

tetrahydrothiofeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 110-01-0
formula: C4H8S
inchi: InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2
iupac name: Thiolane @en
pubchem: 1127
smiles: C1CCSC1
inchikey: RAOIDOHSFRTOEL-UHFFFAOYSA-N
broader: CHEMONTID_0000233
in scheme: Conceptschema Chemische Stoffen
notation: T4Htofn

chloorcyclohexaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 542-18-7
formula: C6H11Cl
inchi: InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
iupac name: Chlorocyclohexane @en
pubchem: 10952
smiles: C1CCC(CC1)Cl
inchikey: UNFUYWDGSFDHCW-UHFFFAOYSA-N
broader: CHEMONTID_0004485
in scheme: Conceptschema Chemische Stoffen
notation: ClccC6a

ethylacrylaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 153313-65-6
cas number: 9003-32-1
cas number: 140-88-5
cas number: 169238-64-6
cas number: 37199-30-7
cas number: 116404-62-7
cas number: 87605-70-7
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
iupac name: ethyl prop-2-enoate @en
pubchem: 8821
smiles: CCOC(=O)C=C
inchikey: JIGUQPWFLRLWPJ-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 004
is referenced by: LUC IV 000
broader: CHEMONTID_0004452
in scheme: Conceptschema Chemische Stoffen
notation: C2yaclt

methamfetamine hydrochloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 4298-16-2
cas number: 300-42-5
formula: C10H16ClN
inchi: InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H
iupac name: N-methyl-1-phenylpropan-2-amine hydrochloride @en
pubchem: 9306
smiles: CC(CC1=CC=CC=C1)NC.Cl
inchikey: TWXDDNPPQUTEOV-UHFFFAOYSA-N
broader: CHEMONTID_0000188
in scheme: Conceptschema Chemische Stoffen
notation: methafAeHCl

bromadiolon
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 28772-56-7
formula: C30H23BrO4
inchi: InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32,34H,18H2
iupac name: 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-2-hydroxychromen-4-one @en
pubchem: 34322
inchikey: IUZFQERQUZLNKQ-UHFFFAOYSA-N
broader: CHEMONTID_0002651
in scheme: Conceptschema Chemische Stoffen
notation: bromdoln

diflubenzuron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53026-03-2
cas number: 104790-81-0
cas number: 51026-04-1
cas number: 66594-18-1
cas number: 35367-38-5
formula: C14H9ClF2N2O2
iupac name: N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide @en
pubchem: 37123
inchikey: QQQYTWIFVNKMRW-UHFFFAOYSA-N
broader: CHEMONTID_0004513
in scheme: Conceptschema Chemische Stoffen
notation: Dfbzrn

dipyridamol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 58-32-2
formula: C24H40N8O4
inchi: InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
iupac name: 2-[[2-(bis(2-hydroxyethyl)amino)-4,8-di(piperidin-1-yl)pyrimido[6,5-e]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol @en
pubchem: 3108
inchikey: IZEKFCXSFNUWAM-UHFFFAOYSA-N
alternative label: dipyramidol
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: Dpyrdml

gabapentine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 60142-96-3
formula: C9H17NO2
inchi: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
iupac name: 2-[1-(aminomethyl)cyclohexyl]acetic acid @en
pubchem: 3446
smiles: C1CCC(CC1)(CC(=O)O)CN
inchikey: UGJMXCAKCUNAIE-UHFFFAOYSA-N
broader: CHEMONTID_0001880
in scheme: Conceptschema Chemische Stoffen
notation: gabptne

dibroom
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 24959-67-9
cas number: 7726-95-6
formula: Br-
inchi: InChI=1S/BrH/h1H/p-1
iupac name: bromide @en
pubchem: 259
smiles: [Br-]
inchikey: CPELXLSAUQHCOX-UHFFFAOYSA-M
alternative label: bromide
broader: CHEMONTID_0000548
in scheme: Conceptschema Chemische Stoffen
notation: Br
notation: Br2

hexaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
cas number: 68476-44-8
cas number: 92112-69-1
cas number: 110-54-3
cas number: 8031-34-3
formula: C6H14
inchi: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
iupac name: Hexane @en
pubchem: 8058
smiles: CCCCCC
inchikey: VLKZOEOYAKHREP-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 011
is referenced by: LUC IV 006
alternative label: n-hexaan
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C6a

diazinon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 30583-38-1
cas number: 333-41-5
cas number: 65863-03-8
cas number: 27936-40-9
formula: C12H21N2O3PS
inchi: InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
iupac name: diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidenephosphorane @en
pubchem: 3017
smiles: CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
inchikey: FHIVAFMUCKRCQO-UHFFFAOYSA-N
broader: CHEMONTID_0004771
in scheme: Conceptschema Chemische Stoffen
notation: Daznn

carbofuran
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1563-66-2
formula: C12H15NO3
inchi: InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
iupac name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate @en
pubchem: 2566
smiles: CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C
inchikey: DUEPRVBVGDRKAG-UHFFFAOYSA-N
broader: CHEMONTID_0004189
in scheme: Conceptschema Chemische Stoffen
notation: carbfrn

difenylnitrosamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 86-30-6
formula: C12H10N2O
inchi: InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
iupac name: N,N-di(phenyl)nitrous amide @en
pubchem: 6838
smiles: C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O
inchikey: UBUCNCOMADRQHX-UHFFFAOYSA-N
broader: CHEMONTID_0000113
in scheme: Conceptschema Chemische Stoffen
notation: DFyNOAe

5-ethylideen-2-norborneen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 16219-75-3
cas number: 59006-74-5
cas number: 62181-74-2
formula: C9H12
inchi: InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+
iupac name: ['(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene', '5-ethylidenebicyclo[2.2.1]hept-2-ene'] @en
pubchem: 5365543
smiles: CC=C1CC2CC1C=C2
inchikey: OJOWICOBYCXEKR-KRXBUXKQSA-N
broader: CHEMONTID_0004622
in scheme: Conceptschema Chemische Stoffen
notation: 5C2yid2nbnn

benzanthron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 82-05-3
cas number: 57608-35-2
cas number: 116495-96-6
formula: C17H10O
inchi: InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H
iupac name: benzo[a]phenalen-7-one @en
pubchem: 6697
smiles: C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O
inchikey: HUKPVYBUJRAUAG-UHFFFAOYSA-N
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: Benztn

tebufenozide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 142583-69-5
cas number: 112410-23-8
formula: C22H28N2O2
inchi: InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
iupac name: N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide @en
pubchem: 91773
inchikey: QYPNKSZPJQQLRK-UHFFFAOYSA-N
broader: CHEMONTID_0000176
in scheme: Conceptschema Chemische Stoffen
notation: tebfnzde

fenthion-oxon-sulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14086-35-2
formula: C10H15O6PS
inchi: InChI=1S/C10H15O6PS/c1-8-7-9(16-17(11,14-2)15-3)5-6-10(8)18(4,12)13/h5-7H,1-4H3
iupac name: dimethyl (3-methyl-4-methylsulfonylphenyl) phosphate @en
pubchem: 26449
smiles: CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C
inchikey: VUTHWSUXEOILTN-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: fentoOosfn

diclofop-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 75045-48-6
cas number: 51142-56-4
cas number: 51338-27-3
formula: C16H14Cl2O4
inchi: InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3
iupac name: methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate @en
pubchem: 39985
inchikey: BACHBFVBHLGWSL-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: DcfC1y

alfa-tocoferol (vitamine e)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10191-41-0
cas number: 4072-33-7
cas number: 59-02-9
cas number: 1406-18-4
cas number: 16826-11-2
cas number: 25094-97-7
cas number: 181591-70-8
cas number: 11105-14-9
formula: C29H50O2
inchi: InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
iupac name: (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL @en
pubchem: 14985
inchikey: GVJHHUAWPYXKBD-IEOSBIPESA-N
alternative label: alfa-tocoferol (Vitamine E)
broader: CHEMONTID_0000201
in scheme: Conceptschema Chemische Stoffen
notation: atcfrl

doxorubicine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 23214-92-8
cas number: 23257-17-2
cas number: 29042-30-6
cas number: 25311-50-6
cas number: 24385-08-8
formula: C27H29NO11
inchi: InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
iupac name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione @en
pubchem: 31703
inchikey: AOJJSUZBOXZQNB-TZSSRYMLSA-N
broader: CHEMONTID_0002106
in scheme: Conceptschema Chemische Stoffen
notation: doxrbcne

2,4-D propyleen glycol butyl ether ester
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1320-18-9
cas number: 1928-45-6
formula: C15H20Cl2O4
inchi: InChI=1S/C15H20Cl2O4/c1-2-3-7-19-8-4-9-20-15(18)11-21-14-6-5-12(16)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3
iupac name: 3-butoxypropyl 2-(2,4-dichlorophenoxy)acetate @en
pubchem: 15997
smiles: CCCCOCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
inchikey: KZWPFFFDRDASOU-UHFFFAOYSA-N
alternative label: 2,4-d propyleen glycol butyl ether ester
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: 24DC3yegC4yE

koolstofmonoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3, diverse art) 'CO'
comment: VLAR II (D2) 'koolmonoxide'
comment: VLAR bijl. 2.5.3. diverse plaatsen 'koolmonoxide'
comment: VLAR II bijl. 4.4.2 'koolstofmonoxide'
cas number: 18421-60-8
cas number: 192819-80-0
cas number: 162342-48-5
cas number: 167416-30-0
cas number: 630-08-0
cas number: 153929-54-5
cas number: 82063-46-5
cas number: 155399-52-3
formula: CO
inchi: InChI=1S/CO/c1-2
iupac name: carbon monoxide @en
pubchem: 281
smiles: [C-]#[O+]
inchikey: UGFAIRIUMAVXCW-UHFFFAOYSA-N
is referenced by: LUC II 001
alternative label: koolstofmonoxide (CO)
alternative label: koolmonoxide
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen
notation: CO

2-methoxypropylacetaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 70657-70-4
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3
iupac name: 2-Methoxypropyl acetate @en
pubchem: 51132
smiles: CC(COC(=O)C)OC
inchikey: BTZVKSVLFLRBRE-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: 2C1oxC3yactt

terbacil
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 5902-51-2
formula: C9H13ClN2O2
inchi: InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)
iupac name: 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione @en
pubchem: 22188
smiles: CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl
inchikey: NBQCNZYJJMBDKY-UHFFFAOYSA-N
broader: CHEMONTID_0001893
in scheme: Conceptschema Chemische Stoffen
notation: terbcl

androsteendion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 117598-81-9
cas number: 104534-78-3
cas number: 63-05-8
formula: C19H26O2
inchi: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
iupac name: (8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione @en
pubchem: 6128
smiles: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
inchikey: AEMFNILZOJDQLW-QAGGRKNESA-N
broader: CHEMONTID_0001467
in scheme: Conceptschema Chemische Stoffen
notation: andtdn

nonylfenoloctaethoxylaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 41506-14-3
cas number: 27177-05-5
formula: C31H56O9
inchi: InChI=1S/C31H56O9/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)40-29-28-39-27-26-38-25-24-37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32/h10-13,32H,2-9,14-29H2,1H3
pubchem: 72384
inchikey: XXPRRHYTDCWGRP-UHFFFAOYSA-N
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen
notation: NPEO8

omethoaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1113-02-6
formula: C5H12NO4PS
inchi: InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)
iupac name: 2-dimethoxyphosphorylsulfanyl-N-methylacetamide @en
pubchem: 14210
smiles: CNC(=O)CSP(=O)(OC)OC
inchikey: PZXOQEXFMJCDPG-UHFFFAOYSA-N
broader: CHEMONTID_0001663
in scheme: Conceptschema Chemische Stoffen
notation: omtat

paroxetine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 110429-35-1
cas number: 61869-08-7
cas number: 63952-24-9
formula: C19H20FNO3
inchi: InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
iupac name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine @en
pubchem: 43815
inchikey: AHOUBRCZNHFOSL-YOEHRIQHSA-N
broader: CHEMONTID_0000303
in scheme: Conceptschema Chemische Stoffen
notation: paroetne

dimethylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 124-40-3
formula: C2H7N
inchi: InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
iupac name: N-Methylmethanamine @en
pubchem: 674
smiles: CNC
inchikey: ROSDSFDQCJNGOL-UHFFFAOYSA-N
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: DC1yAe

trioctylfosfaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 5406-92-8
cas number: 51845-93-3
cas number: 25103-12-2
formula: C24H51O3P
inchi: InChI=1S/C24H51O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
iupac name: tris(6-methylheptyl) phosphite @en
pubchem: 90714
smiles: CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C
inchikey: DECPGQLXYYCNEZ-UHFFFAOYSA-N
broader: CHEMONTID_0004484
in scheme: Conceptschema Chemische Stoffen
notation: TC8yPO4

alfa-fenylbenzeenmethanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 91-01-0
formula: C13H12O
inchi: InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
iupac name: di(phenyl)methanol @en
pubchem: 7037
smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)O
inchikey: QILSFLSDHQAZET-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: aFyBenC1ol

triticonazool
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 131983-72-7
formula: C17H20ClN3O
inchi: InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-
iupac name: (5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol @en
pubchem: 6436449
inchikey: PPDBOQMNKNNODG-ZROIWOOFSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: Ttcnzl

oxycarboxin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 5259-88-1
formula: C12H13NO4S
inchi: InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
iupac name: 2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide @en
pubchem: 21330
smiles: CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2
inchikey: AMEKQAFGQBKLKX-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: OxcbOxn

2,3,3',4,4',5,5 '-heptachlorobifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 39635-31-9
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H
iupac name: 1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene @en
pubchem: 38306
inchikey: XUAWBXBYHDRROL-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: PCB 189
alternative label: pcb 189
alternative label: 2,3,3',4,4',5,5'-heptachloorbifenyl (pcb189)
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB189

benzylamine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 100-46-9
formula: C7H9N
inchi: InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
iupac name: phenylmethanamine @en
pubchem: 7504
smiles: C1=CC=C(C=C1)CN
inchikey: WGQKYBSKWIADBV-UHFFFAOYSA-N
broader: CHEMONTID_0000185
in scheme: Conceptschema Chemische Stoffen
notation: benzAe

perfluorhexaansulfonamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 41997-13-1
formula: C6H2F13NO2S
inchi: InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide @en
pubchem: 11603678
inchikey: WDZLGCSJJWEQJO-UHFFFAOYSA-N
broader: CHEMONTID_0003966
in scheme: Conceptschema Chemische Stoffen
notation: PFHxSA

yttrium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 27151-36-6
cas number: 7440-65-5
cas number: 110123-45-0
formula: Y
inchi: InChI=1S/Y
iupac name: YTTRIUM @en
pubchem: 23993
smiles: [Y]
inchikey: VWQVUPCCIRVNHF-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Y

flucycloxuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 113036-88-7
formula: C25H20ClF2N3O3
pubchem: 6537963
inchikey: PCKNFPQPGUWFHO-UQRQXUALSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: fluccxrn

propionzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 784139-72-6
cas number: 3349-08-4
cas number: 68990-37-4
cas number: 68937-68-8
cas number: 79-09-4
formula: C3H6O2
inchi: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
iupac name: Propanoic acid @en
pubchem: 1032
smiles: CCC(=O)O
inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-N
broader: CHEMONTID_0001205
in scheme: Conceptschema Chemische Stoffen
notation: propozr

1,3-propyleendiaminetatraazijnzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 161122-34-5
cas number: 1939-36-2
formula: C11H18N2O8
inchi: InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
iupac name: 2-[3-(bis(carboxymethyl)amino)propyl-(carboxymethyl)amino]acetic acid @en
pubchem: 80296
smiles: C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O
inchikey: DMQQXDPCRUGSQB-UHFFFAOYSA-N
broader: CHEMONTID_0002966
in scheme: Conceptschema Chemische Stoffen
notation: 13C3yeDAeT4H

cadmium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II (D2) 'cadmium'
comment: VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'
comment: VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'
comment: VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'
comment: VLAR III (D3, diverse art) 'Cd'
comment: VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)
comment: VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'
cas number: 7440-43-9
cas number: 22537-48-0
formula: Cd+2
inchi: InChI=1S/Cd/q+2
iupac name: cadmium(+2) cation @en
pubchem: 31193
smiles: [Cd+2]
inchikey: WLZRMCYVCSSEQC-UHFFFAOYSA-N
is referenced by: LUC I 002
is referenced by: LUC III 010
alternative label: Cadmium (Cd)
broader: CHEMONTID_0000426
definition: cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)
in scheme: Conceptschema Chemische Stoffen
notation: Cd

ethyleendiamine tetra(methyleen fosfonzuur) (edtmp)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1429-50-1
cas number: 57011-27-5
formula: C6H23N3O12P4
inchi: InChI=1S/C6H20N2O12P4.H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);1H3
iupac name: azane; [2-(bis(phosphonomethyl)amino)ethyl-(phosphonomethyl)amino]methylphosphonic acid @en
pubchem: 162806
inchikey: STNSYZSNIYTNMI-UHFFFAOYSA-N
alternative label: ethyleendiamine tetra(methyleen fosfonzuur) (EDTMP)
broader: CHEMONTID_0001302
in scheme: Conceptschema Chemische Stoffen
notation: EDTMP

natrium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7440-23-5
cas number: 17341-25-2
formula: Na+
inchi: InChI=1S/Na/q+1
iupac name: sodium(+1) cation @en
pubchem: 923
smiles: [Na+]
inchikey: FKNQFGJONOIPTF-UHFFFAOYSA-N
alternative label: natrium, eenwaardig
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Na

4,4'-dichloorbenzofenon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 90-98-2
formula: C13H8Cl2O
inchi: InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
iupac name: bis(4-chlorophenyl)methanone @en
pubchem: 7034
smiles: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl
inchikey: OKISUZLXOYGIFP-UHFFFAOYSA-N
broader: CHEMONTID_0000120
in scheme: Conceptschema Chemische Stoffen
notation: 44DClbzfnn

demeton-S-methyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 919-86-8
formula: C6H15O3PS2
inchi: InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3
iupac name: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane @en
pubchem: 13526
smiles: CCSCCSP(=O)(OC)OC
inchikey: WEBQKRLKWNIYKK-UHFFFAOYSA-N
alternative label: demeton-s-methyl
broader: CHEMONTID_0001438
in scheme: Conceptschema Chemische Stoffen
notation: demtSC1y

2,2-dichloorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 594-20-7
formula: C3H6Cl2
inchi: InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3
iupac name: 2,2-DICHLOROPROPANE @en
pubchem: 11660
smiles: CC(C)(Cl)Cl
inchikey: ZEOVXNVKXIPWMS-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 22DClC3a

ethion
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 563-12-2
formula: C9H22O4P2S4
inchi: InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3
iupac name: diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
pubchem: 3286
smiles: CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
inchikey: RIZMRRKBZQXFOY-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: eton

2,3,5-trimethylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 697-82-5
cas number: 70969-66-3
formula: C9H12O
inchi: InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
iupac name: 2,3,5-Trimethylphenol @en
pubchem: 12769
smiles: CC1=CC(=C(C(=C1)O)C)C
inchikey: OGRAOKJKVGDSFR-UHFFFAOYSA-N
broader: CHEMONTID_0001274
in scheme: Conceptschema Chemische Stoffen
notation: 235TC1yFol

cyclohexanon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 9075-99-4
cas number: 108-94-1
cas number: 9003-41-2
cas number: 11119-77-0
formula: C6H10O
inchi: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
iupac name: Cyclohexanone @en
pubchem: 7967
smiles: C1CCC(=O)CC1
inchikey: JHIVVAPYMSGYDF-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 007
is referenced by: LUC IV 000
broader: CHEMONTID_0003487
in scheme: Conceptschema Chemische Stoffen
notation: cycC6on

cycloaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1134-23-2
cas number: 71330-39-7
formula: C11H21NOS
inchi: InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
iupac name: S-ethyl (cyclohexyl-ethylamino)methanethioate @en
pubchem: 14337
smiles: CCN(C1CCCCC1)C(=O)SCC
inchikey: DFCAFRGABIXSDS-UHFFFAOYSA-N
broader: CHEMONTID_0001368
in scheme: Conceptschema Chemische Stoffen
notation: cycat

1-tetradecanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68002-95-9
cas number: 67762-42-9
cas number: 179607-28-4
cas number: 52439-75-5
cas number: 126339-60-4
cas number: 67762-30-5
cas number: 112-72-1
cas number: 126339-59-1
cas number: 71750-71-5
cas number: 8032-14-2
cas number: 68333-80-2
cas number: 67762-41-8
cas number: 75782-87-5
cas number: 63393-82-8
cas number: 68855-56-1
cas number: 150138-88-8
cas number: 60650-34-2
formula: C14H30O
inchi: InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
iupac name: tetradecan-1-ol @en
pubchem: 8209
smiles: CCCCCCCCCCCCCCO
inchikey: HLZKNKRTKFSKGZ-UHFFFAOYSA-N
broader: CHEMONTID_0002951
in scheme: Conceptschema Chemische Stoffen
notation: 1C14ol

pentaethyleenhexamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 778592-37-3
cas number: 4067-16-7
formula: C10H28N6
inchi: InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2
iupac name: N,N'-bis[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine @en
pubchem: 19990
smiles: C(CNCCNCCNCCNCCN)N
inchikey: LSHROXHEILXKHM-UHFFFAOYSA-N
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: PeC2yHxAe

1-isocyanaat-octadecaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 112-96-9
cas number: 156520-08-0
formula: C19H37NO
iupac name: 1-Isocyanatooctadecane @en
pubchem: 66988
smiles: CCCCCCCCCCCCCCCCCCN=C=O
inchikey: QWDQYHPOSSHSAW-UHFFFAOYSA-N
broader: CHEMONTID_0000501
in scheme: Conceptschema Chemische Stoffen
notation: 1iCNC18a

saccharose
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 86101-30-6
cas number: 100405-08-1
cas number: 25702-74-3
cas number: 146054-35-5
cas number: 80165-03-3
cas number: 78654-77-0
cas number: 104242-10-6
cas number: 29764-06-5
cas number: 64533-66-0
cas number: 30027-72-6
cas number: 50857-68-6
cas number: 8030-20-4
cas number: 85456-51-5
cas number: 8027-47-2
cas number: 87430-66-8
cas number: 9012-95-7
cas number: 92004-84-7
cas number: 146187-04-4
cas number: 51909-69-4
cas number: 131932-12-2
cas number: 47167-52-2
cas number: 29253-78-9
cas number: 220376-22-7
cas number: 47257-91-0
cas number: 65545-99-5
cas number: 75398-84-4
cas number: 57-50-1
cas number: 76056-38-7
cas number: 47185-09-1
cas number: 151756-02-4
formula: C12H22O11
inchi: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
iupac name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol @en
pubchem: 5988
inchikey: CZMRCDWAGMRECN-UGDNZRGBSA-N
broader: CHEMONTID_0002207
in scheme: Conceptschema Chemische Stoffen
notation: saccrse

famoxadone
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 131807-57-3
formula: C22H18N2O4
inchi: InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3
iupac name: 5-methyl-5-[4-(phenoxy)phenyl]-3-(phenylamino)-1,3-oxazolidine-2,4-dione @en
pubchem: 213032
inchikey: PCCSBWNGDMYFCW-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: famxdne

zinkpyrithion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51148-10-8
cas number: 35430-20-7
cas number: 109702-19-4
cas number: 55172-61-7
cas number: 16782-00-6
cas number: 51406-57-6
cas number: 31089-48-2
cas number: 13463-41-7
cas number: 3138-01-0
cas number: 14376-32-0
cas number: 17652-47-0
cas number: 1320-68-9
cas number: 39412-61-8
cas number: 1192-70-7
cas number: 3590-23-6
cas number: 226883-65-4
cas number: 74261-71-5
cas number: 208398-70-3
cas number: 118480-78-7
cas number: 15686-64-3
cas number: 244778-79-8
cas number: 192458-89-2
cas number: 162400-43-3
formula: C10H8N2O2S2Zn
inchi: InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
iupac name: zinc 1-oxidopyridin-1-ium-2-thiolate @en
pubchem: 26041
smiles: C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]
inchikey: OTPSWLRZXRHDNX-UHFFFAOYSA-L
broader: CHEMONTID_0001764
in scheme: Conceptschema Chemische Stoffen
notation: Znprton

etheen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 87701-64-2
cas number: 68037-39-8
cas number: 74-85-1
cas number: 9002-88-4
cas number: 33060-30-9
cas number: 87701-65-3
formula: C2H4
inchi: InChI=1S/C2H4/c1-2/h1-2H2
iupac name: Ethene @en
pubchem: 6325
smiles: C=C
inchikey: VGGSQFUCUMXWEO-UHFFFAOYSA-N
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: C2e

broombenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 108-86-1
formula: C6H5Br
inchi: InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
iupac name: Bromobenzene @en
pubchem: 7961
smiles: C1=CC=C(C=C1)Br
inchikey: QARVLSVVCXYDNA-UHFFFAOYSA-N
broader: CHEMONTID_0001098
in scheme: Conceptschema Chemische Stoffen
notation: BrBen

5-methylchryseen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3697-24-3
formula: C19H14
inchi: InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3
iupac name: 5-METHYLCHRYSENE @en
pubchem: 19427
smiles: CC1=CC2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3
inchikey: GOHBXWHNJHENRX-UHFFFAOYSA-N
broader: CHEMONTID_0001142
in scheme: Conceptschema Chemische Stoffen
notation: 5C1yChr

tris(dibroompropyl)isocyanuraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 52434-90-9
formula: C12H15Br6N3O3
iupac name: 1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione @en
pubchem: 103634
inchikey: NZUPFZNVGSWLQC-UHFFFAOYSA-N
broader: CHEMONTID_0001920
in scheme: Conceptschema Chemische Stoffen

microcystine-LW
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 157622-02-1
formula: C54H72N8O12
inchi: InChI=1S/C54H72N8O12/c1-29(2)24-42-52(69)61-46(54(72)73)33(6)48(65)59-43(27-37-28-55-40-19-15-14-18-38(37)40)51(68)57-39(21-20-30(3)25-31(4)44(74-10)26-36-16-12-11-13-17-36)32(5)47(64)58-41(53(70)71)22-23-45(63)62(9)35(8)50(67)56-34(7)49(66)60-42/h11-21,25,28-29,31-34,39,41-44,46,55H,8,22-24,26-27H2,1-7,9-10H3,(H,56,67)(H,57,68)(H,58,64)(H,59,65)(H,60,66)(H,61,69)(H,70,71)(H,72,73)/b21-20-,30-25+
iupac name: 15-(1H-indol-3-ylmethyl)-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
pubchem: 6442262
inchikey: CJIASZBWXIFQMU-ZVXOBQGSSA-N
alternative label: microcystine-lw
broader: CHEMONTID_0002010
in scheme: Conceptschema Chemische Stoffen
notation: MC-LW

spinosynA
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 131929-60-7
formula: C41H65NO10
inchi: InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1
iupac name: (1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione @en
pubchem: 443059
inchikey: SRJQTHAZUNRMPR-UYQKXTDMSA-N
alternative label: spinosyna
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: spinsnA

natriumthiosulfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10102-17-7
cas number: 7772-98-7
formula: H10Na2O8S2
inchi: InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2
iupac name: disodium;dioxido-oxo-sulfanylidene-lambda6-sulfane;pentahydrate @en
pubchem: 61475
smiles: O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+]
inchikey: PODWXQQNRWNDGD-UHFFFAOYSA-L
broader: CHEMONTID_0000668
in scheme: Conceptschema Chemische Stoffen
notation: NatoSO4

ethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 100-41-4
cas number: 68908-88-3
cas number: 70955-17-8
cas number: 28213-80-1
formula: C8H10
inchi: InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
iupac name: Ethylbenzene @en
pubchem: 7500
smiles: CCC1=CC=CC=C1
inchikey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 001
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: C2yBen

propachlooroxalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 70628-36-3
formula: C11H13NO3
inchi: InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)
iupac name: 2-oxo-2-(phenyl-propan-2-ylamino)acetic acid @en
pubchem: 155385
smiles: CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O
inchikey: HYHJOUPYTUBFIX-UHFFFAOYSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: propCloxlt

trimethylsilanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2004-14-0
cas number: 1066-40-6
formula: C3H9LiOSi
inchi: InChI=1S/C3H9OSi.Li/c1-5(2,3)4;/h1-3H3;/q-1;+1
iupac name: lithium trimethyl-oxidosilane @en
pubchem: 74821
smiles: [Li+].C[Si](C)(C)[O-]
inchikey: OXOZHAWWRPCVGL-UHFFFAOYSA-N
broader: CHEMONTID_0004479
in scheme: Conceptschema Chemische Stoffen
notation: C3yslnl

2,2',3,4,4'-pentabroomdifenylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 182346-21-0
formula: C12H5Br5O
inchi: InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H
iupac name: 1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene @en
pubchem: 177368
inchikey: DMLQSUZPTTUUDP-UHFFFAOYSA-N
alternative label: 2,2',3,4,4'-pentabroomdifenylether (bde85)
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen
notation: PBDE85

n-(3-aminopropyl)-n-dodecylpropaan-1,3-diamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 2372-82-9
formula: C18H41N3
inchi: InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3
iupac name: N-(3-Aminopropyl)-N-dodecylpropane-1,3-diamine @en
pubchem: 75407
smiles: CCCCCCCCCCCCN(CCCN)CCCN
inchikey: NYNKJVPRTLBJNQ-UHFFFAOYSA-N
alternative label: N-(3-aminopropyl)-N-dodecylpropaan-1,3-diamine
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
notation: N3AoC3yN12yC

bismut
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 24267-48-9
cas number: 17000-07-6
cas number: 25243-76-9
cas number: 7440-69-9
formula: Bi
inchi: InChI=1S/Bi
iupac name: BISMUTH @en
pubchem: 5359367
smiles: [Bi]
inchikey: JCXGWMGPZLAOME-UHFFFAOYSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Bi

2-chloorpropaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 75-29-6
formula: C3H7Cl
inchi: InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3
iupac name: 2-CHLOROPROPANE @en
pubchem: 6361
smiles: CC(C)Cl
inchikey: ULYZAYCEDJDHCC-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 002
is referenced by: LUC IV 000
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 2ClC3a

epsilon-hexachloorcyclohexaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 6108-10-7
formula: C6H6Cl6
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5-,6-
iupac name: (1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en
inchikey: JLYXXMFPNIAWKQ-DCLYFUHFNA-N
alternative label: ε-hexachlorocyclohexaan
alternative label: ε-1,2,3,4,5,6-hexachlorocyclohexaan
broader: CHEMONTID_0004485
in scheme: Conceptschema Chemische Stoffen
notation: eHCH

4-methylnonaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 17301-94-9
formula: C10H22
inchi: InChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3
iupac name: 4-METHYLNONANE @en
pubchem: 28455
smiles: CCCCCC(C)CCC
inchikey: IALRSQMWHFKJJA-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 4C1yC9a

perfluor-1-joodhexaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 355-43-1
formula: C6F13I
inchi: InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
iupac name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane @en
pubchem: 67733
inchikey: BULLJMKUVKYZDJ-UHFFFAOYSA-N
broader: CHEMONTID_0001518
in scheme: Conceptschema Chemische Stoffen
notation: PF1IC6a

isoxadifen-ethyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 163520-33-0
formula: C18H17NO3
inchi: InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
iupac name: ethyl 5,5-di(phenyl)-4H-1,2-oxazole-3-carboxylate @en
pubchem: 6451155
inchikey: MWKVXOJATACCCH-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: ixdfnC2y

2,2',3,3',4,5,6,6'-octachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 52663-73-7
formula: C12H2Cl8
inchi: InChI=1S/C12H2Cl8/c13-3-1-2-4(14)7(15)5(3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,6-trichlorophenyl)benzene @en
pubchem: 40480
inchikey: HHXNVASVVVNNDG-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB199

isoforon diisocyanaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 4098-71-9
cas number: 53880-05-0
formula: C12H18N2O2
inchi: InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
iupac name: 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane @en
pubchem: 169132
smiles: CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
inchikey: NIMLQBUJDJZYEJ-UHFFFAOYSA-N
broader: CHEMONTID_0000501
in scheme: Conceptschema Chemische Stoffen
notation: ifrDiCN

gadoteridol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 120066-54-8
formula: C17H29GdN4O7
inchi: InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3
iupac name: gadolinium(+3) cation; 2-[4-(2-hydroxypropyl)-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate @en
pubchem: 60714
smiles: CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]
inchikey: DPNNNPAKRZOSMO-UHFFFAOYSA-K
broader: CHEMONTID_0002404
in scheme: Conceptschema Chemische Stoffen
notation: gadtrdl

alfuzosin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 81403-68-1
cas number: 81403-80-7
formula: C19H28ClN5O4
inchi: InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H
iupac name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride @en
pubchem: 71764
inchikey: YTNKWDJILNVLGX-UHFFFAOYSA-N
broader: CHEMONTID_0002314
in scheme: Conceptschema Chemische Stoffen
notation: alfzsn

2,6-dimethyl-4-heptanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 84295-44-3
cas number: 108-82-7
formula: C9H20O
inchi: InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3
iupac name: 2,6-Dimethylheptan-4-ol @en
pubchem: 7957
smiles: CC(C)CC(CC(C)C)O
inchikey: HXQPUEQDBSPXTE-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 26DC1y4C7ol

polyvinylpropionaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 170016-12-3
cas number: 25035-84-1
cas number: 105-38-4
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
iupac name: ethenyl propanoate @en
pubchem: 7750
smiles: CCC(=O)OC=C
inchikey: UIWXSTHGICQLQT-UHFFFAOYSA-N
broader: CHEMONTID_0002354
in scheme: Conceptschema Chemische Stoffen
notation: polvnppont

4,4'-sulfonyldifenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 80-09-1
cas number: 98388-00-2
formula: C12H10O4S
inchi: InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H
iupac name: 4-(4-hydroxyphenyl)sulfonylphenol @en
pubchem: 6626
smiles: C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O
inchikey: VPWNQTHUCYMVMZ-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: 44sulfnDFol

cis-1,2-dichlooretheen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 156-59-2
formula: C2H2Cl2
inchi: InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-
iupac name: (Z)-1,2-Dichloroethene @en
pubchem: 643833
smiles: C(=CCl)Cl
inchikey: KFUSEUYYWQURPO-UPHRSURJSA-N
is referenced by: LUC IV 011
alternative label: 1,2-dichlooretheen,cis
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
notation: c12DClC2e

1-hydroxyethylideen-1,1-difosfonzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 66216-98-6
cas number: 100511-44-2
cas number: 86159-18-4
cas number: 129130-42-3
cas number: 2809-21-4
cas number: 106908-76-3
cas number: 51888-66-5
cas number: 85985-26-8
formula: C2H8O7P2
inchi: InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
iupac name: ['(1-hydroxy-1-phosphonoethyl)phosphonic acid', 'trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium'] @en
pubchem: 3305
smiles: CC(O)(P(=O)(O)O)P(=O)(O)O
inchikey: DBVJJBKOTRCVKF-UHFFFAOYSA-N
broader: CHEMONTID_0000327
in scheme: Conceptschema Chemische Stoffen
notation: HEDP

tolueensulfonamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 8013-74-9
cas number: 1333-07-9
cas number: 88-19-7
formula: C7H9NO2S
inchi: InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
iupac name: 2-Methylbenzenesulfonamide @en
pubchem: 6924
smiles: CC1=CC=CC=C1S(=O)(=O)N
inchikey: YCMLQMDWSXFTIF-UHFFFAOYSA-N
alternative label: o-tolueensulfonamide
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: oTolsfAd
notation: TSA

cefobid
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 62893-19-0
cas number: 62893-20-3
formula: C25H26N9NaO8S2
inchi: InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1
iupac name: sodium (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
pubchem: 44186
inchikey: NCFTXMQPRQZFMZ-WERGMSTESA-M
broader: CHEMONTID_0001189
in scheme: Conceptschema Chemische Stoffen

chloroneb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2675-77-6
formula: C8H8Cl2O2
inchi: InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
iupac name: 1,4-Dichloro-2,5-dimethoxybenzene @en
pubchem: 17581
smiles: COC1=CC(=C(C=C1Cl)OC)Cl
inchikey: PFIADAMVCJPXSF-UHFFFAOYSA-N
broader: CHEMONTID_0004111
in scheme: Conceptschema Chemische Stoffen
notation: Clnb

valnemuline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 101312-92-9
formula: C31H52N2O5S
inchi: InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19?,20-,22+,24?,25-,26-,29+,30-,31-/m0/s1
iupac name: [(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[(2-amino-3-methylbutanoyl)amino]-2-methylpropan-2-yl]sulfanylacetate @en
pubchem: 443605
inchikey: LLYYNOVSVPBRGV-NFQTWZMKSA-N
broader: CHEMONTID_0002003
in scheme: Conceptschema Chemische Stoffen

1,2,3,5-tetrachloor-4,6-dimethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 877-09-8
formula: C8H6Cl4
inchi: InChI=1S/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3
iupac name: 1,2,3,5-tetrachloro-4,6-dimethylbenzene @en
pubchem: 70139
smiles: CC1=C(C(=C(C(=C1Cl)Cl)Cl)C)Cl
inchikey: NTUBJKOTTSFEEV-UHFFFAOYSA-N
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: 1235T4Cl46DC

2-fenylamino-ethanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 122-98-5
formula: C8H11NO
inchi: InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
iupac name: 2-(Phenylamino)ethanol @en
pubchem: 31235
smiles: C1=CC=C(C=C1)NCCO
inchikey: MWGATWIBSKHFMR-UHFFFAOYSA-N
broader: CHEMONTID_0003924
in scheme: Conceptschema Chemische Stoffen
notation: 2FyAoC2ol

di-ethyleentriaminepentaazijnzuur (dtpa)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6889-50-5
cas number: 7575-40-8
cas number: 67-43-6
cas number: 25737-54-6
cas number: 49758-21-6
cas number: 13407-13-1
cas number: 84932-15-0
formula: C14H23N3O10
inchi: InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)
iupac name: 2-[bis[2-(bis(carboxymethyl)amino)ethyl]amino]acetic acid @en
pubchem: 3053
inchikey: QPCDCPDFJACHGM-UHFFFAOYSA-N
alternative label: di-ethyleentriaminepentaazijnzuur (DTPA)
alternative label: diethyleentriaminepenta-azijnzuur
broader: CHEMONTID_0002995
in scheme: Conceptschema Chemische Stoffen
notation: DTPA

monocrotofos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 6923-22-4
cas number: 2157-98-4
cas number: 83857-41-4
formula: C7H14NO5P
inchi: InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
iupac name: ['dimethyl (4-methylamino-4-oxobut-2-en-2-yl) phosphate', 'dimethyl [(E)-4-methylamino-4-oxobut-2-en-2-yl] phosphate'] @en
pubchem: 5371562
smiles: CC(=CC(=O)NC)OP(=O)(OC)OC
inchikey: KRTSDMXIXPKRQR-AATRIKPKSA-N
alternative label: azodrin
broader: CHEMONTID_0003459
in scheme: Conceptschema Chemische Stoffen
notation: Mctfs
notation: azdn

radium 225
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 13981-53-8
formula: Ra
inchi: InChI=1S/Ra/i1-1
iupac name: radium-225 @en
pubchem: 6336607
smiles: [Ra]
inchikey: HCWPIIXVSYCSAN-BJUDXGSMSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Ra225

fluometuron
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2164-17-2
formula: C10H11F3N2O
inchi: InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
iupac name: 1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea @en
pubchem: 16562
smiles: CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
inchikey: RZILCCPWPBTYDO-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: fluomtrn

2-ethylhexyldifenylfosfaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1241-94-7
formula: C20H27O4P
inchi: InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
iupac name: 2-Ethylhexyl diphenyl phosphate @en
pubchem: 14716
inchikey: CGSLYBDCEGBZCG-UHFFFAOYSA-N
broader: CHEMONTID_0004619
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yC6yDFyPO

methanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 67-56-1
cas number: 54841-71-3
formula: CH4O
inchi: InChI=1S/CH4O/c1-2/h2H,1H3
iupac name: methanol @en
pubchem: 887
smiles: CO
inchikey: OKKJLVBELUTLKV-UHFFFAOYSA-N
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
notation: C1ol

tilmicosine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 108050-54-0
formula: C46H80N2O13
inchi: InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26?,27?,28-,29+,30-,31-,32+,33-,35?,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1
iupac name: (5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-dimethylamino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione @en
pubchem: 6436128
inchikey: JTSDBFGMPLKDCD-SWSPHLSKSA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: tilmcsne

radium 228
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15262-20-1
formula: Ra
inchi: InChI=1S/Ra/i1+2
iupac name: radium-228 @en
pubchem: 6328553
smiles: [Ra]
inchikey: HCWPIIXVSYCSAN-NJFSPNSNSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Ra228

1,2-diethylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 135-01-3
cas number: 1300-82-9
cas number: 25340-17-4
formula: C10H14
inchi: InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3
iupac name: 1,2-DIETHYLBENZENE @en
pubchem: 8657
smiles: CCC1=CC=CC=C1CC
inchikey: KVNYFPKFSJIPBJ-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 12DC2yBen

dimetilan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 644-64-4
formula: C10H16N4O3
inchi: InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3
iupac name: [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate @en
pubchem: 12572
smiles: CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C
inchikey: RDBIYWSVMRVKSG-UHFFFAOYSA-N
broader: CHEMONTID_0000087
in scheme: Conceptschema Chemische Stoffen
notation: dimtln

2,3-dimethylfenyl isocyanaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1591-99-7
formula: C9H9NO
inchi: InChI=1S/C9H9NO/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3
iupac name: 1-Isocyanato-2,3-dimethylbenzene @en
pubchem: 137096
smiles: CC1=C(C(=CC=C1)N=C=O)C
inchikey: KNHJIEOCVVIBIV-UHFFFAOYSA-N
broader: CHEMONTID_0004210
in scheme: Conceptschema Chemische Stoffen
notation: 23DC1yFyiCN

metosulam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 139528-85-1
formula: C14H13Cl2N5O4S
iupac name: N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide @en
pubchem: 86422
inchikey: VGHPMIFEKOFHHQ-UHFFFAOYSA-N
broader: CHEMONTID_0004682
in scheme: Conceptschema Chemische Stoffen
notation: metslm

hymexazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 128907-24-4
cas number: 10004-44-1
formula: C4H5NO2
inchi: InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)
iupac name: 5-methyl-1,2-oxazol-3-one @en
pubchem: 24781
smiles: CC1=CC(=O)NO1
inchikey: KGVPNLBXJKTABS-UHFFFAOYSA-N
broader: CHEMONTID_0000081
in scheme: Conceptschema Chemische Stoffen
notation: hymxzl

acrinathrin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 103833-18-7
formula: C26H21F6NO5
inchi: InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11+
iupac name: ['[cyano-[3-(phenoxy)phenyl]methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-[(E)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate'] @en
pubchem: 6242405
inchikey: YLFSVIMMRPNPFK-VAWYXSNFSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: acntn

joxaglinezuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 59017-64-0
formula: C24H21I6N5O8
inchi: InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)
iupac name: 3-[[2-[[3-(acetyl-methylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid @en
pubchem: 3742
inchikey: TYYBFXNZMFNZJT-UHFFFAOYSA-N
broader: CHEMONTID_0004361
in scheme: Conceptschema Chemische Stoffen
notation: joxgnzr

2,6-tolueendiamine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 823-40-5
formula: C7H10N2
inchi: InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
iupac name: 2-methylbenzene-1,3-diamine @en
pubchem: 13205
smiles: CC1=C(C=CC=C1N)N
inchikey: RLYCRLGLCUXUPO-UHFFFAOYSA-N
broader: CHEMONTID_0003965
in scheme: Conceptschema Chemische Stoffen
notation: 26TolDAe

2-butenal (cis en trans)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4170-30-3
formula: C4H6O
inchi: InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-
iupac name: (Z)-but-2-enal @en
pubchem: 643950
smiles: CC=CC=O
inchikey: MLUCVPSAIODCQM-IHWYPQMZSA-N
broader: CHEMONTID_0002436
in scheme: Conceptschema Chemische Stoffen
notation: aclinC1y

chloortoluron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 15545-48-9
cas number: 11111-56-1
formula: C10H13ClN2O
inchi: InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
iupac name: 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea @en
pubchem: 27375
smiles: CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl
inchikey: JXCGFZXSOMJFOA-UHFFFAOYSA-N
alternative label: chlorotoluron
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: Cltlrn

dikalium endothall
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2164-07-0
formula: C8H8K2O5
inchi: InChI=1S/C8H10O5.2K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2
iupac name: dipotassium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate @en
pubchem: 62431
smiles: C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[K+].[K+]
inchikey: ZPZKADHMBHMAES-UHFFFAOYSA-L
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: DKedtl

1,3-benzothiazool-2-sulfonzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 941-57-1
formula: C7H5NO3S2
inchi: InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)
iupac name: 1,3-benzothiazole-2-sulfonic acid @en
pubchem: 30647
smiles: C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O
inchikey: ZCXGMSGCBDSEOY-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 13benztaz2sf

fenazon (antipyrine)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 60-80-0
cas number: 5779-41-9
cas number: 123175-91-7
formula: C11H12N2O
inchi: InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
iupac name: 1,5-dimethyl-2-phenylpyrazol-3-one @en
pubchem: 2206
smiles: CC1=CC(=O)N(N1C)C2=CC=CC=C2
inchikey: VEQOALNAAJBPNY-UHFFFAOYSA-N
alternative label: fenazon
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: fenzn

cyproconazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 113096-99-4
cas number: 94361-06-5
formula: C15H18ClN3O
inchi: InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
iupac name: 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
pubchem: 86132
inchikey: UFNOUKDBUJZYDE-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: cypcnzl

platina
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 21547-63-7
cas number: 7440-06-4
formula: Pt
inchi: InChI=1S/Pt
iupac name: PLATINUM @en
pubchem: 23939
smiles: [Pt]
inchikey: BASFCYQUMIYNBI-UHFFFAOYSA-N
alternative label: platina (Pt)
broader: CHEMONTID_0000426
definition: Platina en zijn verbindingen, uitgedrukt als Pt
in scheme: Conceptschema Chemische Stoffen
notation: Pt

chloorcyaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 506-77-4
formula: CClN
inchi: InChI=1S/CClN/c2-1-3
iupac name: carbononitridic chloride @en
pubchem: 10477
smiles: C(#N)Cl
inchikey: QPJDMGCKMHUXFD-UHFFFAOYSA-N
broader: CHEMONTID_0004084
in scheme: Conceptschema Chemische Stoffen

pentachloorfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 39390-77-7
cas number: 87-86-5
cas number: 101802-54-4
formula: C6HCl5O
inchi: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
iupac name: 2,3,4,5,6-Pentachlorophenol @en
pubchem: 992
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
inchikey: IZUPBVBPLAPZRR-UHFFFAOYSA-N
broader: CHEMONTID_0002772
in scheme: Conceptschema Chemische Stoffen
notation: PeClFol

2-propanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
cas number: 8013-70-5
cas number: 5131-95-3
cas number: 67-63-0
formula: C3H8O
inchi: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
iupac name: Propan-2-ol @en
pubchem: 3776
smiles: CC(C)O
inchikey: KFZMGEQAYNKOFK-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 009
is referenced by: LUC IV 012
alternative label: isopropanol
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 2C3ol

fluorbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 462-06-6
formula: C6H5F
inchi: InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
iupac name: Fluorobenzene @en
pubchem: 10008
smiles: C1=CC=C(C=C1)F
inchikey: PYLWMHQQBFSUBP-UHFFFAOYSA-N
broader: CHEMONTID_0001100
in scheme: Conceptschema Chemische Stoffen
notation: C6H5F

forchlorfenuron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68157-60-8
formula: C12H10ClN3O
inchi: InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
iupac name: 3-(2-chloropyridin-4-yl)-1-phenylurea @en
pubchem: 93379
smiles: C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl
inchikey: GPXLRLUVLMHHIK-UHFFFAOYSA-N
broader: CHEMONTID_0004532
in scheme: Conceptschema Chemische Stoffen
notation: fClfnrn

polyvinylalcohol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 557-75-5
cas number: 9002-89-5
formula: C2H4O
inchi: InChI=1S/C2H4O/c1-2-3/h2-3H,1H2
iupac name: Ethenol @en
pubchem: 11199
smiles: C=CO
inchikey: IMROMDMJAWUWLK-UHFFFAOYSA-N
broader: CHEMONTID_0000132
in scheme: Conceptschema Chemische Stoffen
notation: polvnachl

flubendazole
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 31430-15-6
formula: C16H12FN3O3
inchi: InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
iupac name: methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate @en
pubchem: 35802
inchikey: CPEUVMUXAHMANV-UHFFFAOYSA-N
alternative label: flubendazol
broader: CHEMONTID_0000120
in scheme: Conceptschema Chemische Stoffen
notation: flubdzle

benzoylbromide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 618-32-6
formula: C7H5BrO
inchi: InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
iupac name: BENZOYL BROMIDE @en
pubchem: 12056
smiles: C1=CC=C(C=C1)C(=O)Br
inchikey: AQIHMSVIAGNIDM-UHFFFAOYSA-N
broader: CHEMONTID_0000176
in scheme: Conceptschema Chemische Stoffen
notation: benzyBr

octanal
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 124-13-0
formula: C8H16O
inchi: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
iupac name: Octanal @en
pubchem: 454
smiles: CCCCCCCC=O
inchikey: NUJGJRNETVAIRJ-UHFFFAOYSA-N
broader: CHEMONTID_0002229
in scheme: Conceptschema Chemische Stoffen
notation: C8al

sec-butylamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13250-12-9
cas number: 13952-84-6
cas number: 513-49-5
cas number: 33966-50-6
cas number: 776995-07-4
formula: C4H11N
inchi: InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
iupac name: butan-2-amine @en
pubchem: 24874
smiles: CCC(C)N
inchikey: BHRZNVHARXXAHW-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: secC4yAe

2,3',5,5'-tetrachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 41464-42-0
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-8-1-2-12(16)11(6-8)7-3-9(14)5-10(15)4-7/h1-6H
iupac name: 1,3-dichloro-5-(2,5-dichlorophenyl)benzene @en
pubchem: 38878
smiles: C1=CC(=C(C=C1Cl)C2=CC(=CC(=C2)Cl)Cl)Cl
inchikey: WBTMFEPLVQOWFI-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB72

dikegulac-natrium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52508-35-7
cas number: 55600-00-5
cas number: 55819-26-6
cas number: 62938-94-7
formula: C12H17NaO7
inchi: InChI=1S/C12H18O7.Na/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);/q;+1/p-1/t6-,7+,8-,12+;/m0./s1
iupac name: sodium;(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate @en
pubchem: 65419
smiles: CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)[O-])C.[Na+]
inchikey: DEWVPZYHFVYXMZ-QCILGFJPSA-M
broader: CHEMONTID_0004472
in scheme: Conceptschema Chemische Stoffen
notation: dikglNa

4-chloorfenyl fenylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7005-72-3
cas number: 55398-86-2
formula: C12H9ClO
inchi: InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
iupac name: 1-chloro-4-(phenoxy)benzene @en
pubchem: 23436
smiles: C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
inchikey: PGPNJCAMHOJTEF-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: 4ClFyFyEtr

diclofenac
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15307-86-5
formula: C14H11Cl2NO2
inchi: InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
iupac name: 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid @en
pubchem: 3033
inchikey: DCOPUUMXTXDBNB-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: Dclofnc

perfluor-n-undecaansulfonzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 749786-16-1
formula: C11HF23O3S
inchi: InChI=1S/C11HF23O3S/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32)3(16,17)5(20,21)7(24,25)9(28,29)11(33,34)38(35,36)37/h(H,35,36,37)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecane-1-sulfonic acid @en
pubchem: 22141518
inchikey: UKHUPOMCGUFNAP-UHFFFAOYSA-N
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
notation: PFUnDS

sebuthylazine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 109829-45-0
cas number: 7286-69-3
formula: C9H16ClN5
inchi: InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
iupac name: N-butan-2-yl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine @en
pubchem: 23712
smiles: CCC(C)NC1=NC(=NC(=N1)NCC)Cl
inchikey: BZRUVKZGXNSXMB-UHFFFAOYSA-N
alternative label: sebutylazine
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
notation: seC4yazne

cloquintoceet-mexyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 99607-70-2
formula: C18H22ClNO3
inchi: InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
iupac name: heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate @en
pubchem: 93528
inchikey: COYBRKAVBMYYSF-UHFFFAOYSA-N
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: cloqtcmxl

p-fenolsulfonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 28469-73-0
cas number: 98-67-9
formula: C6H6O4S
inchi: InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
iupac name: 4-Hydroxybenzenesulfonic acid @en
pubchem: 4765
smiles: C1=CC(=CC=C1O)S(=O)(=O)O
inchikey: FEPBITJSIHRMRT-UHFFFAOYSA-N
broader: CHEMONTID_0000032
in scheme: Conceptschema Chemische Stoffen
notation: pFolsfzr

docetaxel
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 114977-28-5
formula: C43H53NO14
inchi: InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
iupac name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate @en
pubchem: 148124
inchikey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N
broader: CHEMONTID_0000676
in scheme: Conceptschema Chemische Stoffen
notation: doctxl

disulfoton-sulfoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2497-07-6
formula: C8H19O3PS3
inchi: InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3
iupac name: diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidenephosphorane @en
pubchem: 17242
smiles: CCOP(=S)(OCC)SCCS(=O)CC
inchikey: UPUGLJYNCXXUQV-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: DsftSO

2,2',3,3',4,5',6,6'-octachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 40186-71-8
formula: C12H2Cl8
inchi: InChI=1S/C12H2Cl8/c13-3-1-6(16)11(19)12(20)7(3)8-9(17)4(14)2-5(15)10(8)18/h1-2H
iupac name: 1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenyl)benzene @en
pubchem: 38410
inchikey: LJQOBQLZTUSEJA-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB201

zilver
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 87354-45-8
cas number: 12553-68-3
cas number: 7440-22-4
cas number: 87370-84-1
cas number: 15046-91-0
formula: Ag
inchi: InChI=1S/Ag
iupac name: Silver @en
pubchem: 23954
smiles: [Ag]
inchikey: BQCADISMDOOEFD-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ag

2-ethoxy-2-methylbutaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 919-94-8
formula: C7H16O
inchi: InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3
iupac name: 2-Ethoxy-2-methylbutane @en
pubchem: 13527
smiles: CCC(C)(C)OCC
inchikey: KFRVYYGHSPLXSZ-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 2C2ox2C1yC4a

2,4'-dichloordifenyldichlooretheen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 3424-82-6
formula: C14H8Cl4
inchi: InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H
iupac name: 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethenyl]benzene @en
pubchem: 246598
inchikey: ZDYJWDIWLRZXDB-UHFFFAOYSA-N
alternative label: op'dichloordifenyldichlooretheen
alternative label: o,p’-dde
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 24DDE

mcpa natriumzout
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 11100-01-9
cas number: 3653-48-3
cas number: 11114-06-0
formula: C9H8ClNaO3
inchi: InChI=1S/C9H9ClO3.Na/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1
iupac name: sodium 2-(4-chloro-2-methylphenoxy)acetate @en
pubchem: 19292
smiles: CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Na+]
inchikey: STAPBGVGYWCRTF-UHFFFAOYSA-M
alternative label: MCPA natriumzout
broader: CHEMONTID_0004525
in scheme: Conceptschema Chemische Stoffen
notation: MCPANazt

isouron
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 55861-78-4
formula: C10H17N3O2
inchi: InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)
iupac name: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea @en
pubchem: 41648
smiles: CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C
inchikey: JLLJHQLUZAKJFH-UHFFFAOYSA-N
broader: CHEMONTID_0003886
in scheme: Conceptschema Chemische Stoffen
notation: iurn

metamitron
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 41394-05-2
formula: C10H10N4O
inchi: InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3
iupac name: 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5-one @en
pubchem: 38854
smiles: CC1=NN=C(C(=O)N1N)C2=CC=CC=C2
inchikey: VHCNQEUWZYOAEV-UHFFFAOYSA-N
broader: CHEMONTID_0004107
in scheme: Conceptschema Chemische Stoffen
notation: mmtn

paraldehyde
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 51289-71-5
cas number: 1499-02-1
cas number: 123-63-7
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
iupac name: 2,4,6-Trimethyl-1,3,5-trioxane @en
pubchem: 31264
smiles: CC1OC(OC(O1)C)C
inchikey: SQYNKIJPMDEDEG-UHFFFAOYSA-N
broader: CHEMONTID_0001853
in scheme: Conceptschema Chemische Stoffen
notation: parAh

chloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 16887-00-6
formula: Cl-
inchi: InChI=1S/ClH/h1H/p-1
iupac name: chloride @en
pubchem: 312
smiles: [Cl-]
inchikey: VEXZGXHMUGYJMC-UHFFFAOYSA-M
is referenced by: LUC III 002
is referenced by: WAC V B 003
is referenced by: CMA 2 I C
is referenced by: WAC III D 020
broader: CHEMONTID_0000548
in scheme: Conceptschema Chemische Stoffen
notation: Cl

2-ethyltolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 611-14-3
cas number: 25550-14-5
cas number: 25154-47-6
formula: C9H12
inchi: InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
iupac name: 1-Ethyl-2-methylbenzene @en
pubchem: 11903
smiles: CCC1=CC=CC=C1C
inchikey: HYFLWBNQFMXCPA-UHFFFAOYSA-N
alternative label: ethyltolueen
broader: CHEMONTID_0001091
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yTol
notation: C2yTol

3,5-dichloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 34883-41-5
formula: C12H8Cl2
inchi: InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H
iupac name: 1,3-dichloro-5-phenylbenzene @en
pubchem: 36981
smiles: C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl
inchikey: QHZSDTDMQZPUKC-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB14

thiocyclam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 84523-34-2
cas number: 31895-21-3
formula: C5H11NS3
inchi: InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3
iupac name: N,N-dimethyltrithian-5-amine @en
pubchem: 35970
smiles: CN(C)C1CSSSC1
inchikey: DNVLJEWNNDHELH-UHFFFAOYSA-N
broader: CHEMONTID_0001862
in scheme: Conceptschema Chemische Stoffen
notation: toccm

difenamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 957-51-7
cas number: 73413-06-6
cas number: 5104-31-4
cas number: 12697-94-8
formula: C16H17NO
inchi: InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3
iupac name: N,N-dimethyl-2,2-di(phenyl)acetamide @en
pubchem: 13728
smiles: CN(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
inchikey: QAHFOPIILNICLA-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: DfAd

n-methyl perfluoroctaansulfonamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 122526-47-0
cas number: 31506-32-8
formula: C9H4F17NO2S
inchi: InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)7(20,21)5(16,17)3(12,13)2(10,11)4(14,15)6(18,19)8(22,23)24/h27H,1H3
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyloctane-1-sulfonamide @en
pubchem: 3034468
inchikey: SRMWNTGHXHOWBT-UHFFFAOYSA-N
alternative label: n-methylperfluor-n-octaansulfonamide (mepfosa)
alternative label: N-methylperfluoroctaansulfonamide
alternative label: n-methylperfluor-n-octaansulfonamide
alternative label: N-methyl perfluoroctaansulfonamide
alternative label: n-methylperfluoroctaan-1-sulfonamide (mepfosa)
broader: CHEMONTID_0003960
in scheme: Conceptschema Chemische Stoffen
notation: MePFOSA
notation: MeFOSA

uranium 237
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14269-75-1
formula: U
inchi: InChI=1S/U/i1-1
iupac name: uranium-237 @en
pubchem: 167047
smiles: [U]
inchikey: JFALSRSLKYAFGM-BJUDXGSMSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: U237

6-isopropyl-m-cresol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 89-83-8
formula: C10H14O
inchi: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
iupac name: 5-methyl-2-propan-2-ylphenol @en
pubchem: 6989
smiles: CC1=CC(=C(C=C1)C(C)C)O
inchikey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
broader: CHEMONTID_0000051
in scheme: Conceptschema Chemische Stoffen
notation: 6iC3ymcsl

haloperidol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 52-86-8
formula: C21H23ClFNO2
inchi: InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
iupac name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one @en
pubchem: 3559
inchikey: LNEPOXFFQSENCJ-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: halprdl

2-hydroxy carbamazepine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68011-66-5
formula: C15H12N2O2
inchi: InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)
iupac name: 8-hydroxybenzo[b][1]benzazepine-11-carboxamide @en
pubchem: 129274
inchikey: VPZIYMMSJFWLSP-UHFFFAOYSA-N
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: 2HOxcbmzpne

1,2-difenylhydrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 38622-18-3
cas number: 122-66-7
cas number: 55299-18-8
formula: C12H12N2
inchi: InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H
iupac name: 1,2-di(phenyl)hydrazine @en
pubchem: 31222
smiles: C1=CC=C(C=C1)NNC2=CC=CC=C2
inchikey: YBQZXXMEJHZYMB-UHFFFAOYSA-N
broader: CHEMONTID_0000113
in scheme: Conceptschema Chemische Stoffen
notation: 12DFyhdzne

diafenthiuron
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 80060-09-9
formula: C23H32N2OS
inchi: InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)
iupac name: 3-tert-butyl-1-[4-(phenoxy)-2,6-di(propan-2-yl)phenyl]thiourea @en
pubchem: 91732
inchikey: WOWBFOBYOAGEEA-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: Dfturn

2-methyl-2-benzotriazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 16584-00-2
formula: C7H7N3
inchi: InChI=1S/C7H7N3/c1-10-8-6-4-2-3-5-7(6)9-10/h2-5H,1H3
iupac name: 2-Methylbenzotriazole @en
pubchem: 85498
smiles: CN1N=C2C=CC=CC2=N1
inchikey: PWORFEDVDWBHSJ-UHFFFAOYSA-N
broader: CHEMONTID_0000315
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y2bztazl

nitrobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 98-95-3
cas number: 26969-40-4
formula: C6H5NO2
inchi: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
iupac name: ['Nitrobenzene', 'N-oxido-N-phenylhydroxylamine', 'N,N-dihydroxyaniline'] @en
pubchem: 7416
smiles: C1=CC=C(C=C1)[N+](=O)[O-]
inchikey: LQNUZADURLCDLV-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: NO2Ben

coumatetralyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5836-29-3
formula: C19H16O3
inchi: InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,21H,5,7,10H2
iupac name: 2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one @en
pubchem: 22095
inchikey: KIGBUEKEZHTCDR-UHFFFAOYSA-N
broader: CHEMONTID_0000145
in scheme: Conceptschema Chemische Stoffen
notation: coumttll

citalopram
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 59729-33-8
formula: C20H21FN2O
inchi: InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
iupac name: 1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile @en
pubchem: 2771
smiles: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
inchikey: WSEQXVZVJXJVFP-UHFFFAOYSA-N
broader: CHEMONTID_0000014
in scheme: Conceptschema Chemische Stoffen
notation: citlpm

diclofop
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 75045-49-7
cas number: 40843-25-2
formula: C15H12Cl2O4
inchi: InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)
iupac name: 2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID @en
pubchem: 38687
inchikey: OOLBCHYXZDXLDS-UHFFFAOYSA-N
broader: CHEMONTID_0004674
in scheme: Conceptschema Chemische Stoffen
notation: Dcfp

2-nitrofenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 88-75-5
formula: C6H5NO3
inchi: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
iupac name: ['2-(dihydroxyamino)phenol', '2-Nitrophenol'] @en
pubchem: 6947
smiles: C1=CC=C(C(=C1)[N+](=O)[O-])O
inchikey: IQUPABOKLQSFBK-UHFFFAOYSA-N
broader: CHEMONTID_0000141
in scheme: Conceptschema Chemische Stoffen
notation: 2NO2Fol

chinon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 106-51-4
cas number: 54560-36-0
cas number: 19052-63-2
cas number: 51226-74-5
cas number: 3225-29-4
formula: C6H4O2
inchi: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
iupac name: cyclohexa-2,5-diene-1,4-dione @en
pubchem: 4650
smiles: C1=CC(=O)C=CC1=O
inchikey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
broader: CHEMONTID_0002494
in scheme: Conceptschema Chemische Stoffen
notation: quinne

cholesta-5,24-dien-3-beta-ol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 313-04-2
formula: C27H44O
inchi: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
iupac name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
pubchem: 439577
inchikey: AVSXSVCZWQODGV-DPAQBDIFSA-N
broader: CHEMONTID_0001469
in scheme: Conceptschema Chemische Stoffen
notation: chol524Den3b

hydrazine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 75013-58-0
cas number: 37836-27-4
cas number: 31886-26-7
cas number: 119775-10-9
cas number: 634-62-8
cas number: 302-01-2
formula: H4N2
inchi: InChI=1S/H4N2/c1-2/h1-2H2
iupac name: Hydrazine @en
pubchem: 9321
smiles: NN
inchikey: OAKJQQAXSVQMHS-UHFFFAOYSA-N
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen
notation: hydzne

3-chloorfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 108-43-0
formula: C6H5ClO
inchi: InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
iupac name: 3-Chlorophenol @en
pubchem: 7933
smiles: C1=CC(=CC(=C1)Cl)O
inchikey: HORNXRXVQWOLPJ-UHFFFAOYSA-N
broader: CHEMONTID_0002770
in scheme: Conceptschema Chemische Stoffen
notation: 3ClFol

heptabroomdifenylether
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 139598-16-6
cas number: 113172-79-5
cas number: 68928-80-3
formula: C12H3Br7O
inchi: InChI=1S/C12H3Br7O/c13-4-2-1-3-5(6(4)14)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H
iupac name: 1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)benzene @en
pubchem: 3034400
inchikey: NLBLNZDNOSSGPW-UHFFFAOYSA-N
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen

carbofenothion
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 786-19-6
formula: C11H16ClO2PS3
iupac name: (4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
pubchem: 13081
smiles: CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl
inchikey: VEDTXTNSFWUXGQ-UHFFFAOYSA-N
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
notation: carbfnton

2-(cyclohexylaminothio)benzothiazool
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 95-33-0
cas number: 108251-59-8
cas number: 51540-81-9
cas number: 156014-54-9
formula: C13H16N2S2
inchi: InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
iupac name: N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine @en
pubchem: 7232
smiles: C1CCC(CC1)NSC2=NC3=CC=CC=C3S2
inchikey: DEQZTKGFXNUBJL-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 2ccC6yAotobz

endrin aldehyde
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7421-93-4
formula: C12H8Cl6O
inchi: InChI=1S/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2
iupac name: 3,4,5,6,6,7-hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undecane-10-carbaldehyde @en
pubchem: 522524
inchikey: HCTWZIFNBBCVGM-UHFFFAOYSA-N
alternative label: endrinaldehyde
broader: CHEMONTID_0001549
in scheme: Conceptschema Chemische Stoffen
notation: endAh

gallium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7440-55-3
cas number: 15091-79-9
formula: Ga
inchi: InChI=1S/Ga
iupac name: GALLIUM @en
pubchem: 5360835
smiles: [Ga]
inchikey: GYHNNYVSQQEPJS-UHFFFAOYSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Ga

jodium 131
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 10043-66-0
cas number: 24267-56-9
formula: I2
inchi: InChI=1S/I2/c1-2/i1+4,2+4
iupac name: Iodine-131 @en
pubchem: 24855
smiles: II
inchikey: PNDPGZBMCMUPRI-HVTJNCQCSA-N
broader: CHEMONTID_0000432
in scheme: Conceptschema Chemische Stoffen
notation: I131

broomazijnzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 79-08-3
cas number: 418768-49-7
formula: C2H3BrO2
inchi: InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
iupac name: 2-Bromoacetic acid @en
pubchem: 6227
smiles: C(C(=O)O)Br
inchikey: KDPAWGWELVVRCH-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: BrHAc

hypochloorzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 26190-92-1
cas number: 14333-29-0
cas number: 7790-92-3
formula: ClHO
inchi: InChI=1S/ClHO/c1-2/h2H
iupac name: HYPOCHLOROUS ACID @en
pubchem: 24341
smiles: OCl
inchikey: QWPPOHNGKGFGJK-UHFFFAOYSA-N
broader: CHEMONTID_0001057
in scheme: Conceptschema Chemische Stoffen
notation: HOCl

oxamyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 23135-22-0
formula: C7H13N3O3S
inchi: InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-
iupac name: [(2-dimethylamino-1-methylsulfanyl-2-oxoethylidene)amino] N-methylcarbamate @en
pubchem: 9595287
smiles: CNC(=O)ON=C(C(=O)N(C)C)SC
inchikey: KZAUOCCYDRDERY-UITAMQMPSA-N
broader: CHEMONTID_0001664
in scheme: Conceptschema Chemische Stoffen
notation: Oaml

menthol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2216-51-5
cas number: 89-78-1
cas number: 98167-53-4
formula: C10H20O
inchi: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
iupac name: (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol @en
pubchem: 16666
smiles: CC1CCC(C(C1)O)C(C)C
inchikey: NOOLISFMXDJSKH-KXUCPTDWSA-N
broader: CHEMONTID_0001401
in scheme: Conceptschema Chemische Stoffen
notation: mentl

barium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7440-39-3
formula: Ba
inchi: InChI=1S/Ba
iupac name: BARIUM @en
pubchem: 5355457
smiles: [Ba]
inchikey: DSAJWYNOEDNPEQ-UHFFFAOYSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Ba

2-fenylpyridine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1008-89-5
cas number: 94928-86-6
formula: C11H9N
inchi: InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H
iupac name: 2-PHENYLPYRIDINE @en
pubchem: 13887
smiles: C1=CC=C(C=C1)C2=CC=CC=N2
inchikey: VQGHOUODWALEFC-UHFFFAOYSA-N
broader: CHEMONTID_0002317
in scheme: Conceptschema Chemische Stoffen
notation: 2Fyprdne

carbosulfan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 73468-61-8
cas number: 55285-14-8
formula: C20H32N2O3S
inchi: InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3
iupac name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate @en
pubchem: 41384
inchikey: JLQUFIHWVLZVTJ-UHFFFAOYSA-N
broader: CHEMONTID_0004189
in scheme: Conceptschema Chemische Stoffen
notation: carbsfn

piperonyl-butoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 12750-92-4
cas number: 51-03-6
cas number: 63993-73-7
formula: C19H30O5
inchi: InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
iupac name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole @en
pubchem: 5794
smiles: CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2
inchikey: FIPWRIJSWJWJAI-UHFFFAOYSA-N
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
notation: piprnbO

n-(alfa-methylfenethyl) acetamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14383-60-9
formula: C11H15NO
inchi: InChI=1S/C11H15NO/c1-9(12-10(2)13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)
iupac name: N-(1-phenylpropan-2-yl)acetamide @en
pubchem: 26660
smiles: CC(CC1=CC=CC=C1)NC(=O)C
inchikey: YPKBVWZHVTZSPU-UHFFFAOYSA-N
alternative label: N-(alfa-methylfenethyl) acetamide
broader: CHEMONTID_0000188
in scheme: Conceptschema Chemische Stoffen
notation: NaC1yFC2yAd

2-benzothiazolsulfonamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3741-80-8
formula: C18H17N3S4
inchi: InChI=1S/C18H17N3S4/c1-18(2,3)21(24-16-19-12-8-4-6-10-14(12)22-16)25-17-20-13-9-5-7-11-15(13)23-17/h4-11H,1-3H3
iupac name: N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine @en
pubchem: 77344
inchikey: VILGDADBAQFRJE-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 2bztazsfAd

joodmethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 147937-07-3
cas number: 74-88-4
formula: CH3I
inchi: InChI=1S/CH3I/c1-2/h1H3
iupac name: Iodomethane @en
pubchem: 6328
smiles: CI
inchikey: INQOMBQAUSQDDS-UHFFFAOYSA-N
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: IC1a

aldicarbsulfon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 60005-95-0
cas number: 1646-88-4
formula: C7H14N2O4S
inchi: InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
iupac name: [(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate @en
pubchem: 9570093
smiles: CC(C)(C=NOC(=O)NC)S(=O)(=O)C
inchikey: YRRKLBAKDXSTNC-WEVVVXLNSA-N
broader: CHEMONTID_0000505
in scheme: Conceptschema Chemische Stoffen
notation: alDcsfn

1-butoxy-2-propanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 5131-66-8
formula: C7H16O2
inchi: InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3
iupac name: 1-Butoxypropan-2-ol @en
pubchem: 21210
smiles: CCCCOCC(C)O
inchikey: RWNUSVWFHDHRCJ-UHFFFAOYSA-N
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
notation: 1C4ox2C3ol

tetrapropylammoniumbromide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 65129-03-5
cas number: 65129-05-7
cas number: 1941-30-6
formula: C12H28BrN
inchi: InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
iupac name: tetrapropylazanium bromide @en
pubchem: 74745
smiles: CCC[N+](CCC)(CCC)CCC.[Br-]
inchikey: BGQMOFGZRJUORO-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: T4C3yNH3Br

flubendiamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 272451-65-7
formula: C23H22F7IN2O4S
iupac name: 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide @en
pubchem: 11193251
inchikey: ZGNITFSDLCMLGI-UHFFFAOYSA-N
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: flubDad

4-vinyl-1-cyclohexeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 92619-43-7
cas number: 100-40-3
formula: C8H12
inchi: InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
iupac name: 4-Ethenylcyclohexene @en
pubchem: 7499
smiles: C=CC1CCC=CC1
inchikey: BBDKZWKEPDTENS-UHFFFAOYSA-N
broader: CHEMONTID_0000017
in scheme: Conceptschema Chemische Stoffen
notation: 4vn1ccC6e

amylacetaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 628-63-7
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
iupac name: Pentyl acetate @en
pubchem: 12348
smiles: CCCCCOC(=O)C
inchikey: PGMYKACGEOXYJE-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: amactt

kaliumhydroxide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 71769-53-4
cas number: 1310-58-3
cas number: 29857-72-5
formula: HKO
inchi: InChI=1S/K.H2O/h;1H2/q+1;/p-1
iupac name: POTASSIUM HYDROXIDE @en
pubchem: 14797
smiles: [OH-].[K+]
inchikey: KWYUFKZDYYNOTN-UHFFFAOYSA-M
broader: CHEMONTID_0000638
in scheme: Conceptschema Chemische Stoffen
notation: KOH

flonicamid
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 158062-67-0
formula: C9H6F3N3O
inchi: InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)
iupac name: N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide @en
pubchem: 9834513
smiles: C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N
inchikey: RLQJEEJISHYWON-UHFFFAOYSA-N
broader: CHEMONTID_0002253
in scheme: Conceptschema Chemische Stoffen
notation: floncmd

mierenzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 82069-14-5
cas number: 64-18-6
cas number: 7056-83-9
cas number: 8006-93-7
cas number: 15907-03-6
formula: CH2O2
inchi: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
iupac name: formic acid @en
pubchem: 284
smiles: C(=O)O
inchikey: BDAGIHXWWSANSR-UHFFFAOYSA-N
alternative label: methaanzuur
broader: CHEMONTID_0001205
in scheme: Conceptschema Chemische Stoffen
notation: C1azr

dinatriumtetraboraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1330-43-4
cas number: 63989-70-8
formula: B4H14Na2O14
inchi: InChI=1S/4B.2Na.7H2O.7O/h;;;;;;7*1H2;;;;;;;/q4*+3;2*+1;;;;;;;;7*-2
iupac name: disodium; boron(+3) cation; oxygen(-2) anion; heptahydrate @en
pubchem: 3048787
smiles: [B+3].[B+3].[B+3].[B+3].O.O.O.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Na+]
inchikey: HJIQVKXMQOLFFS-UHFFFAOYSA-N
broader: CHEMONTID_0000534
in scheme: Conceptschema Chemische Stoffen
notation: Na2B4O7

antimoon 127
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13968-50-8
formula: Sb
inchi: InChI=1S/Sb/i1+5
iupac name: antimony-127 @en
pubchem: 6335314
smiles: [Sb]
inchikey: WATWJIUSRGPENY-BKFZFHPZSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Sb127

4H-cyclopenta[d,e,f]fenantreen-4-on
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 5737-13-3
formula: C15H8O
inchi: InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H
iupac name: tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one @en
pubchem: 21963
smiles: C1=CC2=C3C(=C1)C(=O)C4=CC=CC(=C43)C=C2
inchikey: IFCBMPOMNSORDG-UHFFFAOYSA-N
alternative label: 4h-cyclopenta[d,e,f]fenantreen-4-on
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: 4HccPedefFen

Chemische stoffen die in water gemeten worden.
type: Collection
in scheme: Conceptschema Chemische Stoffen
member: 2,4-dichloorfenol
member: pyreen
member: indeno(1,2,3-c,d)pyreen
member: 1-chloor-2,3-epoxypropaan (epichloorhydrine)
member: dimethylsulfamide
member: ? -chloortolueen
member: methyl-tertiair-butylether
member: thiamethoxam
member: acenaftyleen
member: amoxicilline
member: demeton-S-methyl
member: butylhydroxytolueen
member: metobromuron
member: benzylbutylftalaat
member: 1,2,4-trichloorbenzeen
member: azinfos-methyl
member: waterstofcarbonaat
member: alfa,alfa-dichloortolueen
member: ciprofloxacine
member: 1,2,3,4,6,7,8,9-octachloordibenzo-p-dioxine
member: chloropreen
member: 1,2,3,4,7,8,9-heptachloordibenzofuraan
member: 2-chloorfenol
member: propyzamide
member: bifenox
member: atrazine
member: beryllium
member: demeton-S
member: zwavel
member: glyfosaat
member: 2-chloortolueen
member: 3,5-dichlooraniline
member: 4-tertiair-octylfenol
member: ametryn
member: (2,4-dichloorfenoxy)azijnzuur (2,4-d)
member: methanal (formaldehyde)
member: 4-chloor-2-nitroaniline
member: telodrin
member: dibenzo(a,i)pyreen
member: cis-nonachloor
member: fenamifos
member: 2-chloor-4-nitrotolueen
member: kalium, eenwaardig
member: acrylamide
member: ethyleendiaminetetraethaanzuur (edta)
member: 1,2-dichloorethaan
member: pyrimethanil
member: chloorthalonil
member: bde 100
member: metribuzin
member: propanil
member: 1,2,3,6,7,8-hexachloordibenzo-p-dioxine
member: silicium
member: metalaxyl
member: cis-1,2-dichloorpropeen
member: perfluoroctaanzuur
member: 2,6-dichloor-4-nitroaniline
member: 2,6-dichloorfenol
member: chloordaan
member: hexachloorethaan
member: carbonaat
member: tolueen
member: 2,2',3,3',4,4',5-heptachloorbifenyl (pcb170)
member: bromacil
member: dicofol
member: 1,2,3,7,8-pentachloordibenzofuran
member: ijzer
member: pendimethalin
member: dibutyltin
member: antimoon
member: ethoprofos
member: chloride
member: demeton
member: 2,3-dichloorpropeen
member: ethylbenzeen
member: zink
member: diflufenican
member: tributyltin

di-p-tolueensulfonaat-ethyleenglycol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 6315-52-2
formula: C16H18O6S2
inchi: InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
iupac name: 2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate @en
pubchem: 228289
inchikey: LZIPBJBQQPZLOR-UHFFFAOYSA-N
broader: CHEMONTID_0004309
in scheme: Conceptschema Chemische Stoffen
notation: DpTolsfnC2ye

tricyclazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 41814-78-2
formula: C9H7N3S
inchi: InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3
iupac name: 8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole @en
pubchem: 39040
smiles: CC1=C2C(=CC=C1)SC3=NN=CN23
inchikey: DQJCHOQLCLEDLL-UHFFFAOYSA-N
broader: CHEMONTID_0004201
in scheme: Conceptschema Chemische Stoffen
notation: Tcczl

dieldrin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 60-57-1
cas number: 128-10-9
formula: C12H8Cl6O
inchi: InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-
iupac name: (1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene @en
pubchem: 969491
inchikey: DFBKLUNHFCTMDC-PICURKEMSA-N
broader: CHEMONTID_0001549
in scheme: Conceptschema Chemische Stoffen
notation: dieldn

dodecylisoquinolinium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 93-23-2
formula: C21H32BrN
iupac name: 2-dodecylisoquinolin-2-ium bromide @en
pubchem: 7132
smiles: CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]
inchikey: MSJLMQTXVKCUCD-UHFFFAOYSA-M
broader: CHEMONTID_0002566
in scheme: Conceptschema Chemische Stoffen

2,3,3',4',6-pentachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 38380-03-9
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-7-2-1-6(5-10(7)16)11-8(14)3-4-9(15)12(11)17/h1-5H
iupac name: 1,2,4-trichloro-3-(3,4-dichlorophenyl)benzene @en
pubchem: 38015
inchikey: ARXHIJMGSIYYRZ-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB110

ranitidine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 66357-59-3
cas number: 66357-35-5
cas number: 71130-06-8
formula: C13H23ClN4O3S
inchi: InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;
iupac name: ["(E)-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine hydrochloride", "N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine hydrochloride"] @en
pubchem: 3033332
smiles: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl
inchikey: GGWBHVILAJZWKJ-KJEVSKRMSA-N
broader: CHEMONTID_0003899
in scheme: Conceptschema Chemische Stoffen
notation: rantdne

scandium 46
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13967-63-0
formula: Sc
inchi: InChI=1S/Sc/i1+1
iupac name: scandium-46 @en
pubchem: 107673
smiles: [Sc]
inchikey: SIXSYDAISGFNSX-OUBTZVSYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Sc46

PCB 81
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 70362-50-4
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
iupac name: 1,2,3-trichloro-5-(4-chlorophenyl)benzene @en
pubchem: 51043
smiles: C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl
inchikey: BHWVLZJTVIYLIV-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 3,4,4',5-tetrachlorobifenyl
alternative label: 3,4,4',5-tetrachloorbifenyl (pcb81)
alternative label: pcb 81
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB81

bis(2-chloorisopropyl)ether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 39638-32-9
formula: C6H12Cl2O
inchi: InChI=1S/C6H12Cl2O/c1-5(2,7)9-6(3,4)8/h1-4H3
iupac name: 2-chloro-2-(2-chloropropan-2-yloxy)propane @en
pubchem: 38307
smiles: CC(C)(OC(C)(C)Cl)Cl
inchikey: BULHJTXRZFEUDQ-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: bis2CliC3yEt

carbaryl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3197-92-0
cas number: 11130-47-5
cas number: 52001-89-5
cas number: 11095-11-7
cas number: 63-25-2
cas number: 51274-03-4
cas number: 27636-33-5
formula: C12H11NO2
inchi: InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
iupac name: naphthalen-1-yl N-methylcarbamate @en
pubchem: 6129
smiles: CNC(=O)OC1=CC=CC2=CC=CC=C21
inchikey: CVXBEEMKQHEXEN-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: carbrl

(-)-11-nor-9-carboxy-delta-9-tetrahydrocannabinol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 56354-06-4
formula: C21H28O4
inchi: InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
iupac name: (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid @en
pubchem: 108207
inchikey: YOVRGSHRZRJTLZ-HZPDHXFCSA-N
broader: CHEMONTID_0003522
in scheme: Conceptschema Chemische Stoffen
notation: m11n9cbxd9TH

butaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 68475-59-2
cas number: 68527-17-3
cas number: 68476-42-6
cas number: 106-97-8
cas number: 68551-21-3
cas number: 68514-31-8
formula: C4H10
inchi: InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
iupac name: BUTANE @en
pubchem: 7843
smiles: CCCC
inchikey: IJDNQMDRQITEOD-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C4a

oxadiazon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 19666-30-9
formula: C15H18Cl2N2O3
iupac name: 5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one @en
pubchem: 29732
inchikey: CHNUNORXWHYHNE-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: OaDazn

1,2-dihydro-2,2,4-trimethylquinoline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 55069-42-6
cas number: 26780-96-1
cas number: 52038-43-4
cas number: 147-47-7
formula: C12H15N
inchi: InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3
iupac name: 2,2,4-trimethyl-1H-quinoline @en
pubchem: 8981
smiles: CC1=CC(NC2=CC=CC=C12)(C)C
inchikey: ZNRLMGFXSPUZNR-UHFFFAOYSA-N
broader: CHEMONTID_0001716
in scheme: Conceptschema Chemische Stoffen
notation: 12DH224TC1yq

alfa-hydroxytolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 185532-71-2
cas number: 1336-27-2
cas number: 100-51-6
formula: C7H8O
inchi: InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
iupac name: phenylmethanol @en
pubchem: 244
smiles: C1=CC=C(C=C1)CO
inchikey: WVDDGKGOMKODPV-UHFFFAOYSA-N
broader: CHEMONTID_0000033
in scheme: Conceptschema Chemische Stoffen
notation: aHOxTol

bromacil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 314-40-9
formula: C9H13BrN2O2
inchi: InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
iupac name: 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione @en
pubchem: 9411
smiles: CCC(C)N1C(=O)C(=C(NC1=O)C)Br
inchikey: CTSLUCNDVMMDHG-UHFFFAOYSA-N
broader: CHEMONTID_0001893
in scheme: Conceptschema Chemische Stoffen
notation: bromcl

4-cumylfenol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 28261-59-8
cas number: 599-64-4
formula: C15H16O
inchi: InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
iupac name: 4-(2-phenylpropan-2-yl)phenol @en
pubchem: 11742
smiles: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O
inchikey: QBDSZLJBMIMQRS-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: 4cumFol

meptyldinocap
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 49794-90-3
cas number: 131-72-6
formula: C18H24N2O6
inchi: InChI=1S/C18H24N2O6/c1-3-5-6-7-8-9-11-14-12-15(19(22)23)13-16(20(24)25)18(14)26-17(21)10-4-2/h4,10,12-13H,3,5-9,11H2,1-2H3/b10-4+
iupac name: (2,4-dinitro-6-octylphenyl) (E)-but-2-enoate @en
pubchem: 6436020
smiles: CCCCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC
inchikey: PMSYHBINVYHTNN-ONNFQVAWSA-N
broader: CHEMONTID_0002319
in scheme: Conceptschema Chemische Stoffen
notation: meptdncp

diethylstilboestrol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 8030-34-0
cas number: 8049-42-1
cas number: 56-53-1
cas number: 22610-99-7
cas number: 8053-00-7
cas number: 6898-97-1
cas number: 8026-45-7
cas number: 8028-09-9
formula: C18H20O2
inchi: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
iupac name: ['4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol', '4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol'] @en
pubchem: 448537
smiles: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
inchikey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
broader: CHEMONTID_0000253
in scheme: Conceptschema Chemische Stoffen
notation: DC2ysbsl

2-methyl-2-thiazoline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2346-00-1
formula: C4H7NS
inchi: InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3
iupac name: 2-methyl-4,5-dihydro-1,3-thiazole @en
pubchem: 16867
smiles: CC1=NCCS1
inchikey: JUIQOABNSLTJSW-UHFFFAOYSA-N
broader: CHEMONTID_0000229
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y2tazlne

gamma-linoleenzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 506-26-3
formula: C18H30O2
inchi: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
iupac name: (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid @en
pubchem: 5280933
smiles: CCCCCC=CCC=CCC=CCCCCC(=O)O
inchikey: VZCCETWTMQHEPK-QNEBEIHSSA-N
broader: CHEMONTID_0000504
in scheme: Conceptschema Chemische Stoffen
notation: glnlzr

chlooraceetaldehyde
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 107-20-0
formula: C2H3ClO
inchi: InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
iupac name: 2-CHLOROACETALDEHYDE @en
pubchem: 33
smiles: C(C=O)Cl
inchikey: QSKPIOLLBIHNAC-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: ClacAh

propyleenglycolmonoethyletheracetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 54839-24-6
formula: C7H14O3
inchi: InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3
iupac name: 1-ethoxypropan-2-yl acetate @en
pubchem: 171378
smiles: CCOCC(C)OC(=O)C
inchikey: LIPRQQHINVWJCH-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: PGEEA

mefosfolan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 950-10-7
cas number: 12643-22-0
cas number: 947-33-1
formula: C8H16NO3PS2
inchi: InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3
iupac name: N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine @en
pubchem: 13707
smiles: CCOP(=O)(N=C1SCC(S1)C)OCC
inchikey: LTQSAUHRSCMPLD-UHFFFAOYSA-N
broader: CHEMONTID_0000408
in scheme: Conceptschema Chemische Stoffen
notation: meffln

1,3,5-trichloorbenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 108-70-3
cas number: 63697-19-8
formula: C6H3Cl3
inchi: InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
iupac name: 1,3,5-Trichlorobenzene @en
pubchem: 7950
smiles: C1=C(C=C(C=C1Cl)Cl)Cl
inchikey: XKEFYDZQGKAQCN-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: 135TClBen

amantadine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 768-94-5
formula: C10H17N
inchi: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
iupac name: adamantan-1-amine @en
pubchem: 2130
smiles: C1C2CC3CC1CC(C2)(C3)N
inchikey: DKNWSYNQZKUICI-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: amtdne

chitosan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 9012-76-4
cas number: 57285-05-9
formula: C56H103N9O39
inchi: InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1
iupac name: methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate @en
pubchem: 71853
inchikey: FLASNYPZGWUPSU-SICDJOISSA-N
broader: CHEMONTID_0000198
in scheme: Conceptschema Chemische Stoffen
notation: chitsn

2,3,5-trimethylpyrazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 124765-77-1
cas number: 14667-55-1
formula: C7H10N2
inchi: InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
iupac name: 2,3,5-Trimethylpyrazine @en
pubchem: 26808
smiles: CC1=CN=C(C(=N1)C)C
inchikey: IAEGWXHKWJGQAZ-UHFFFAOYSA-N
broader: CHEMONTID_0000067
in scheme: Conceptschema Chemische Stoffen
notation: 235TC1yprzne

N-methylperfluoroctaansulfonamido-azijnzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2355-31-9
formula: C11H6F17NO4S
inchi: InChI=1S/C11H6F17NO4S/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H2,1H3,(H,30,31)
iupac name: 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]acetic acid @en
pubchem: 22286931
inchikey: QNDHIRFIMVNHBN-UHFFFAOYSA-N
broader: CHEMONTID_0003960
in scheme: Conceptschema Chemische Stoffen
notation: MePFOSAA
notation: NmeFOSAA

perfluoroctaanzuur, kaliumzout
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2395-00-8
formula: C8H2F15KO2
inchi: InChI=1S/C8HF15O2.K.H/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;;/h(H,24,25);;/q;+1;-1
iupac name: potassium; hydride; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid @en
pubchem: 3083763
inchikey: VRXISYRYNOUKHO-UHFFFAOYSA-N
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
notation: PFOA_K

kaliumoleaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 143-18-0
formula: C18H33KO2
inchi: InChI=1S/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;
iupac name: potassium (Z)-octadec-9-enoate @en
pubchem: 6433168
smiles: CCCCCCCCC=CCCCCCCCC(=O)[O-].[K+]
inchikey: MLICVSDCCDDWMD-KVVVOXFISA-M
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: Kolat

flurochloridon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 61213-25-0
cas number: 89286-81-7
formula: C12H10Cl2F3NO
iupac name: 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one @en
pubchem: 91677
inchikey: OQZCSNDVOWYALR-UHFFFAOYSA-N
broader: CHEMONTID_0002336
in scheme: Conceptschema Chemische Stoffen
notation: flurcrdn

triethyleenglycol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 676-18-6
cas number: 121202-29-7
cas number: 118662-30-9
cas number: 112-27-6
formula: C6H14O4
inchi: InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
iupac name: 2-[2-(2-hydroxyethoxy)ethoxy]ethanol @en
pubchem: 8172
smiles: C(COCCOCCO)O
inchikey: ZIBGPFATKBEMQZ-UHFFFAOYSA-N
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen
notation: TC2yegcl

strontium 85
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13967-73-2
formula: Sr
inchi: InChI=1S/Sr/i1-3
iupac name: strontium-85 @en
pubchem: 5464271
smiles: [Sr]
inchikey: CIOAGBVUUVVLOB-OIOBTWANSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Sr85

hydroxycotinine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 34834-67-8
cas number: 27323-64-4
cas number: 37096-14-3
cas number: 79581-34-3
formula: C10H12N2O2
inchi: InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3
iupac name: 3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one @en
pubchem: 414
smiles: CN1C(CC(C1=O)O)C2=CN=CC=C2
inchikey: XOKCJXZZNAUIQN-UHFFFAOYSA-N
broader: CHEMONTID_0001975
in scheme: Conceptschema Chemische Stoffen
notation: HOxctnne

tetraethylammonium bromide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 65129-11-5
cas number: 71-91-0
cas number: 65129-07-9
formula: C8H20BrN
inchi: InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
iupac name: tetraethylazanium bromide @en
pubchem: 6285
smiles: CC[N+](CC)(CC)CC.[Br-]
inchikey: HWCKGOZZJDHMNC-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: T4C2yeNHBr

dichloorbenzidine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1331-47-1
formula: C12H10Cl2N2
inchi: InChI=1S/C12H10Cl2N2/c13-11-9(5-6-10(16)12(11)14)7-1-3-8(15)4-2-7/h1-6H,15-16H2
iupac name: 4-(4-aminophenyl)-2,3-dichloroaniline @en
pubchem: 3033870
smiles: C1=CC(=CC=C1C2=C(C(=C(C=C2)N)Cl)Cl)N
inchikey: LPDSNGAFAJYVKH-UHFFFAOYSA-N
broader: CHEMONTID_0003955
in scheme: Conceptschema Chemische Stoffen
notation: DClbzdne

3,3'-dimethylbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 612-75-9
formula: C14H14
inchi: InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3
iupac name: 1-methyl-3-(3-methylphenyl)benzene @en
pubchem: 11931
smiles: CC1=CC(=CC=C1)C2=CC=CC(=C2)C
inchikey: GVEDOIATHPCYGS-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: 33DC1ybiFy

n-heptadecylcyclohexaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 19781-73-8
formula: C23H46
iupac name: HEPTADECYLCYCLOHEXANE @en
pubchem: 29777
smiles: CCCCCCCCCCCCCCCCCC1CCCCC1
inchikey: VLHZQNGNJQYAIZ-UHFFFAOYSA-N
broader: CHEMONTID_0001016
in scheme: Conceptschema Chemische Stoffen
notation: nC17yccC6a

dimethipin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 55290-64-7
formula: C6H10O4S2
inchi: InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3
iupac name: 2,3-dimethyl-5,6-dihydro-1,4-dithiine 1,1,4,4-tetraoxide @en
pubchem: 41385
smiles: CC1=C(S(=O)(=O)CCS1(=O)=O)C
inchikey: PHVNLLCAQHGNKU-UHFFFAOYSA-N
broader: CHEMONTID_0000505
in scheme: Conceptschema Chemische Stoffen
notation: Dmtpn

benzo(a)fluorantheen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 56832-73-6
cas number: 203-33-8
formula: C20H12
inchi: InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H
iupac name: pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene @en
pubchem: 9146
inchikey: OQDXASJSCOTNQS-UHFFFAOYSA-N
broader: CHEMONTID_0000018
in scheme: Conceptschema Chemische Stoffen
notation: BaF

desoximetason
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 382-67-2
formula: C22H29FO4
inchi: InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,18?,19?,20?,21?,22+/m1/s1
iupac name: (9R,16R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one @en
pubchem: 9793
inchikey: VWVSBHGCDBMOOT-OKPPOTDYSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: desOxmtsn

2,2',4,4'-tetrachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 53469-21-9
cas number: 11104-29-3
cas number: 2437-79-8
formula: C12H6Cl4
inchi: InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H
iupac name: 2,4-dichloro-1-(2,4-dichlorophenyl)benzene @en
pubchem: 17097
smiles: C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl
inchikey: QORAVNMWUNPXAO-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB47

penicilline G
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 61-33-6
formula: C16H18N2O4S
inchi: InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
iupac name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid @en
pubchem: 5904
inchikey: JGSARLDLIJGVTE-MBNYWOFBSA-N
alternative label: penicilline g
alternative label: benzylpenicilline
broader: CHEMONTID_0004830
in scheme: Conceptschema Chemische Stoffen
notation: penclnG

2,2',4,6,6'-pentachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 56558-16-8
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H
iupac name: 1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene @en
pubchem: 91662
inchikey: MTCPZNVSDFCBBE-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB104

3-amino-2,5-dichloor-benzoezuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 133-90-4
formula: C7H5Cl2NO2
inchi: InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
iupac name: 3-Amino-2,5-dichlorobenzoic acid @en
pubchem: 8630
smiles: C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl
inchikey: HSSBORCLYSCBJR-UHFFFAOYSA-N
broader: CHEMONTID_0002611
in scheme: Conceptschema Chemische Stoffen
notation: 3Ao25DClbzez

jotalaminezuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1225-20-3
cas number: 15845-98-4
cas number: 2276-90-6
formula: C11H8I3N2NaO4
inchi: InChI=1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1
iupac name: sodium 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate @en
pubchem: 14663
smiles: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.[Na+]
inchikey: WCIMWHNSWLLELS-UHFFFAOYSA-M
broader: CHEMONTID_0004361
in scheme: Conceptschema Chemische Stoffen
notation: jotlmnzr

atenolol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 29122-68-7
cas number: 60966-51-0
formula: C14H22N2O3
inchi: InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
iupac name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide @en
pubchem: 2249
smiles: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
inchikey: METKIMKYRPQLGS-UHFFFAOYSA-N
broader: CHEMONTID_0002363
in scheme: Conceptschema Chemische Stoffen
notation: atnll

sulfachloropyridazine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 80-32-0
formula: C10H9ClN4O2S
inchi: InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
iupac name: 4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide @en
pubchem: 6634
smiles: C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl
inchikey: XOXHILFPRYWFOD-UHFFFAOYSA-N
alternative label: sulfachloorpyridazine
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: sulfClprdzne

C.I. Solvent Orange 7
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3118-97-6
formula: C18H16N2O
inchi: InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,19H,1-2H3/b20-18-
iupac name: ['1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one', '(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one'] @en
pubchem: 5809936
inchikey: YPXOPAFVVHXQDP-ZZEZOPTASA-N
alternative label: c.i. solvent orange 7
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: cisoe7

2,2',3,4,6,6'-hexachloorbifenyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 74472-40-5
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(16)11(17)12(10)18/h1-4H
iupac name: 1,2,3,5-tetrachloro-4-(2,6-dichlorophenyl)benzene @en
pubchem: 93442
inchikey: JZFZCLFEPXCRCA-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB145

gentamycine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1403-66-3
formula: C21H43N5O7
inchi: InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3
iupac name: 2-[4,6-diamino-3-[3-amino-6-(1-methylaminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol @en
pubchem: 3467
inchikey: CEAZRRDELHUEMR-UHFFFAOYSA-N
broader: CHEMONTID_0001675
in scheme: Conceptschema Chemische Stoffen
notation: gentmcne

methylethylnitrosamine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 10595-95-6
formula: C3H8N2O
inchi: InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3
iupac name: N-ethyl-N-methylnitrous amide @en
pubchem: 25418
smiles: CCN(C)N=O
inchikey: RTDCJKARQCRONF-UHFFFAOYSA-N
broader: CHEMONTID_0004777
in scheme: Conceptschema Chemische Stoffen
notation: C1yC2yNOAe

2,3,4-trichloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25323-68-6
cas number: 55702-46-0
formula: C12H7Cl3
inchi: InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H
iupac name: 1,2,3-trichloro-4-phenylbenzene @en
pubchem: 41541
smiles: C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl
inchikey: IUYHQGMDSZOPDZ-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB21

nonabroomdifenylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 139749-52-3
cas number: 66169-95-7
cas number: 63936-56-1
cas number: 68928-79-0
cas number: 64589-00-0
formula: C12HBr9O
inchi: InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H
iupac name: 1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene @en
pubchem: 45472
inchikey: CYRHBNRLQMLULE-UHFFFAOYSA-N
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen

1-chloor-4-nitrobenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 100-00-5
formula: C6H4ClNO2
inchi: InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
iupac name: 1-Chloro-4-nitrobenzene @en
pubchem: 7474
smiles: C1=CC(=CC=C1[N+](=O)[O-])Cl
inchikey: CZGCEKJOLUNIFY-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 1Cl4NO2Ben

t-butanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
cas number: 75-65-0
formula: C4H10O
inchi: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
iupac name: 2-Methylpropan-2-ol @en
pubchem: 6386
smiles: CC(C)(C)O
inchikey: DKGAVHZHDRPRBM-UHFFFAOYSA-N
is referenced by: LUC IV 000
is referenced by: LUC IV 012
is referenced by: LUC IV 009
alternative label: tertiair-butanol
broader: CHEMONTID_0001670
in scheme: Conceptschema Chemische Stoffen
notation: ttC4ol

haloxyfop-methyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 86510-80-7
cas number: 114180-25-5
cas number: 69806-40-2
formula: C16H13ClF3NO4
iupac name: methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
pubchem: 50896
inchikey: MFSWTRQUCLNFOM-UHFFFAOYSA-N
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: halOxfC1y

(2-methyl-4-chloorfenoxy)azijnzuur (mcpa)
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 94-74-6
cas number: 50926-55-1
cas number: 11111-13-0
cas number: 11111-14-1
formula: C9H9ClO3
inchi: InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
iupac name: 2-(4-chloro-2-methylphenoxy)acetic acid @en
pubchem: 7204
smiles: CC1=C(C=CC(=C1)Cl)OCC(=O)O
inchikey: WHKUVVPPKQRRBV-UHFFFAOYSA-N
alternative label: 2-methyl-4-chloorfenoxyazijnzuur
alternative label: mcpa
alternative label: (4-chloor-2methylfenoxy)azijnzuur
broader: CHEMONTID_0004525
in scheme: Conceptschema Chemische Stoffen
notation: MCPA

arseen (vijfwaardig)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 17428-41-0
formula: As+5
inchi: InChI=1S/As/q+5
iupac name: arsenic(+5) cation @en
pubchem: 104737
smiles: [As+5]
inchikey: HAYXDMNJJFVXCI-UHFFFAOYSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: AsV

2-fenylisopropanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 617-94-7
formula: C9H12O
inchi: InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
iupac name: 2-Phenylpropan-2-ol @en
pubchem: 12053
smiles: CC(C)(C1=CC=CC=C1)O
inchikey: BDCFWIDZNLCTMF-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 2FyiC3ol

lawrencium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 22537-19-5
formula: Lr
inchi: InChI=1S/Lr
iupac name: LAWRENCIUM @en
pubchem: 31192
smiles: [Lr]
inchikey: CNQCVBJFEGMYDW-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Lr

iridium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7439-88-5
cas number: 22542-08-1
formula: Ir
inchi: InChI=1S/Ir
iupac name: IRIDIUM @en
pubchem: 23924
smiles: [Ir]
inchikey: GKOZUEZYRPOHIO-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ir

4-methylcarbazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3770-48-7
formula: C13H11N
inchi: InChI=1S/C13H11N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8,14H,1H3
iupac name: 4-Methyl-9H-carbazole @en
pubchem: 19591
smiles: CC1=C2C3=CC=CC=C3NC2=CC=C1
inchikey: GNPUIRFDBYALRI-UHFFFAOYSA-N
broader: CHEMONTID_0000210
in scheme: Conceptschema Chemische Stoffen
notation: 4C1ycarbzl

thorium 228
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14274-82-9
formula: Th
inchi: InChI=1S/Th/i1-4
iupac name: thorium-228 @en
pubchem: 61724
smiles: [Th]
inchikey: ZSLUVFAKFWKJRC-AHCXROLUSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Th228

tellurium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 137322-20-4
cas number: 13494-80-9
formula: Te
inchi: InChI=1S/Te
iupac name: TELLURIUM @en
pubchem: 6327182
smiles: [Te]
inchikey: PORWMNRCUJJQNO-UHFFFAOYSA-N
broader: CHEMONTID_0000431
in scheme: Conceptschema Chemische Stoffen
notation: Te

sandacanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 28219-61-6
formula: C14H24O
inchi: InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+
iupac name: (E)-2-ethyl-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)but-2-en-1-ol @en
pubchem: 6438196
smiles: CCC(=CCC1CC=C(C1(C)C)C)CO
inchikey: KHQDWCKZXLWDNM-KPKJPENVSA-N
broader: CHEMONTID_0001563
in scheme: Conceptschema Chemische Stoffen
notation: ETCB

1,5-naftaleendisulfonzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 81-04-9
cas number: 46874-44-6
formula: C10H8O6S2
inchi: InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
iupac name: naphthalene-1,5-disulfonic acid @en
pubchem: 6666
inchikey: XTEGVFVZDVNBPF-UHFFFAOYSA-N
broader: CHEMONTID_0003600
in scheme: Conceptschema Chemische Stoffen
notation: 15NafDsfzr

triadimefon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 93779-51-2
cas number: 43121-43-3
formula: C14H16ClN3O2
inchi: InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
iupac name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one @en
pubchem: 39385
inchikey: WURBVZBTWMNKQT-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: Tadmfn

cerium 139
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 13982-30-4
formula: Ce
inchi: InChI=1S/Ce/i1-1
iupac name: cerium-139 @en
pubchem: 166969
smiles: [Ce]
inchikey: GWXLDORMOJMVQZ-BJUDXGSMSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Ce139

benzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 2.5.3
comment: VLAR II bijl. 4.4.2
comment: VLAR II (D2) diverse art.
comment: VLAR III (D3, diverse art)
cas number: 174973-66-1
cas number: 27271-55-2
cas number: 26181-88-4
cas number: 68956-52-5
cas number: 71-43-2
cas number: 54682-86-9
formula: C6H6
inchi: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
iupac name: BENZENE @en
pubchem: 241
smiles: C1=CC=CC=C1
inchikey: UHOVQNZJYSORNB-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 001
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: Ben

methyl-tertiair-butylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1634-04-4
formula: C5H12O
inchi: InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
iupac name: 2-Methoxy-2-methylpropane @en
pubchem: 15413
smiles: CC(C)(C)OC
inchikey: BZLVMXJERCGZMT-UHFFFAOYSA-N
alternative label: methyl-tert.butyl-ether (mtbe)
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: C1yttC4yEtr

quizalofop-p-ethyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 100646-51-3
formula: C19H17ClN2O4
inchi: InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1
iupac name: ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate @en
pubchem: 1617113
inchikey: OSUHJPCHFDQAIT-GFCCVEGCSA-N
alternative label: quizalofop-P-ethyl
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: quizlfPC2y

isopropylacetaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 108-21-4
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
iupac name: propan-2-yl acetate @en
pubchem: 7915
smiles: CC(C)OC(=O)C
inchikey: JMMWKPVZQRWMSS-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: iC3yactt

propranolol-hydrochloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 318-98-9
formula: C16H22ClNO2
inchi: InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
iupac name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride @en
pubchem: 62882
smiles: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl
inchikey: ZMRUPTIKESYGQW-UHFFFAOYSA-N
alternative label: propanolol, waterstofchloride
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: propnllHCL

cis-11,14-eicosadieenzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 5598-38-9
formula: C20H36O2
inchi: InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
iupac name: (11Z,14Z)-icosa-11,14-dienoic acid @en
pubchem: 6439848
smiles: CCCCCC=CCC=CCCCCCCCCCC(=O)O
inchikey: XSXIVVZCUAHUJO-HZJYTTRNSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: c1114C20aDzr

ethylcrotonaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 10544-63-5
formula: C6H10O2
inchi: InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-
iupac name: ethyl (Z)-but-2-enoate @en
pubchem: 5354263
smiles: CCOC(=O)C=CC
inchikey: ZFDIRQKJPRINOQ-HYXAFXHYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: C2yctnt

2-propyl-2-heptenal
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 34880-43-8
formula: C10H18O
inchi: InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8-
iupac name: (Z)-2-propylhept-2-enal @en
pubchem: 6386353
smiles: CCCCC=C(CCC)C=O
inchikey: GADNZGQWPNTMCH-NTMALXAHSA-N
broader: CHEMONTID_0002229
in scheme: Conceptschema Chemische Stoffen
notation: 2C3y2C7eal

chloranil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 118-75-2
cas number: 142655-99-0
formula: C6Cl4O2
inchi: InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
iupac name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione @en
pubchem: 8371
smiles: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl
inchikey: UGNWTBMOAKPKBL-UHFFFAOYSA-N
broader: CHEMONTID_0002494
in scheme: Conceptschema Chemische Stoffen
notation: chloranl

benzoylprop-ethyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 33878-50-1
cas number: 22212-55-1
cas number: 38561-59-0
cas number: 20453-96-7
formula: C18H17Cl2NO3
inchi: InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
iupac name: ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate @en
pubchem: 31068
inchikey: SLCGUGMPSUYJAY-UHFFFAOYSA-N
broader: CHEMONTID_0004713
in scheme: Conceptschema Chemische Stoffen
notation: benzyppC2y

pentobarbital-natrium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 10579-81-4
cas number: 57-33-0
cas number: 23714-57-0
cas number: 8050-99-5
cas number: 8023-11-8
formula: C11H17N2NaO3
inchi: InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1
iupac name: ['sodium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate', 'sodium 5-ethyl-5-pentan-2-ylpyrimidin-3-ide-2,4,6-trione', 'sodium 5-ethyl-2,6-dioxo-5-pentan-2-ylpyrimidin-4-olate'] @en
pubchem: 5982
smiles: CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]
inchikey: QGMRQYFBGABWDR-UHFFFAOYSA-M
broader: CHEMONTID_0000292
in scheme: Conceptschema Chemische Stoffen
notation: pentbbtNa

trichloorfluormethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 75-69-4
cas number: 62185-70-0
cas number: 91315-61-6
cas number: 83589-40-6
cas number: 79620-41-0
formula: CCl3F
inchi: InChI=1S/CCl3F/c2-1(3,4)5
iupac name: trichloro-fluoromethane @en
pubchem: 6389
smiles: C(F)(Cl)(Cl)Cl
inchikey: CYRMSUTZVYGINF-UHFFFAOYSA-N
broader: CHEMONTID_0004521
in scheme: Conceptschema Chemische Stoffen
notation: CFK11

aminofenazon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 144574-10-7
cas number: 58-15-1
formula: C13H17N3O
inchi: InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
iupac name: 4-dimethylamino-1,5-dimethyl-2-phenylpyrazol-3-one @en
pubchem: 6009
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C
inchikey: RMMXTBMQSGEXHJ-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: Aofnzn

methylacetaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 79-20-9
formula: C3H6O2
inchi: InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
iupac name: METHYL ACETATE @en
pubchem: 6584
smiles: CC(=O)OC
inchikey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
is referenced by: LUC IV 004
is referenced by: LUC IV 000
broader: CHEMONTID_0003416
in scheme: Conceptschema Chemische Stoffen
notation: C1yactt

hexafluor-1,3-butadieen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 685-63-2
formula: C4F6
inchi: InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10
iupac name: 1,1,2,3,4,4-Hexafluorobuta-1,3-diene @en
pubchem: 69636
smiles: C(=C(F)F)(C(=C(F)F)F)F
inchikey: LGPPATCNSOSOQH-UHFFFAOYSA-N
broader: CHEMONTID_0002861
in scheme: Conceptschema Chemische Stoffen
notation: HxF13btDen

1-eicosanol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 28679-05-2
cas number: 629-96-9
formula: C20H42O
iupac name: Icosan-1-ol @en
pubchem: 12404
smiles: CCCCCCCCCCCCCCCCCCCCO
inchikey: BTFJIXJJCSYFAL-UHFFFAOYSA-N
broader: CHEMONTID_0002951
in scheme: Conceptschema Chemische Stoffen
notation: 1C20ol

2-amino-4-chloorfenol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 95-85-2
formula: C6H6ClNO
inchi: InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
iupac name: 2-Amino-4-chlorophenol @en
pubchem: 7265
smiles: C1=CC(=C(C=C1Cl)N)O
inchikey: SWFNPENEBHAHEB-UHFFFAOYSA-N
broader: CHEMONTID_0002772
in scheme: Conceptschema Chemische Stoffen
notation: 2Ao4ClFol

technetium 96
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14808-44-7
formula: Tc
inchi: InChI=1S/Tc/i1-2
iupac name: technetium-96 @en
pubchem: 167171
smiles: [Tc]
inchikey: GKLVYJBZJHMRIY-YPZZEJLDSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Tc96

erbium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7440-52-0
cas number: 110424-79-8
formula: Er
inchi: InChI=1S/Er
iupac name: ERBIUM @en
pubchem: 23980
smiles: [Er]
inchikey: UYAHIZSMUZPPFV-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Er

imidacloprid
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 105827-78-9
cas number: 138261-41-3
formula: C9H10ClN5O2
inchi: InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
iupac name: N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide @en
pubchem: 86418
smiles: C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl
inchikey: YWTYJOPNNQFBPC-UHFFFAOYSA-N
broader: CHEMONTID_0004667
in scheme: Conceptschema Chemische Stoffen
notation: imdcpd

lood 211
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15816-77-0
formula: Pb
inchi: InChI=1S/Pb/i1+4
iupac name: lead-211 @en
pubchem: 6337094
smiles: [Pb]
inchikey: WABPQHHGFIMREM-RNFDNDRNSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: Pb211

2,3-dinitrotolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 602-01-7
formula: C7H6N2O4
inchi: InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
iupac name: 1-Methyl-2,3-dinitrobenzene @en
pubchem: 11761
smiles: CC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-]
inchikey: DYSXLQBUUOPLBB-UHFFFAOYSA-N
broader: CHEMONTID_0003969
in scheme: Conceptschema Chemische Stoffen
notation: 23DNO2Tol

moxidectin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 119719-24-3
cas number: 113507-06-5
formula: C37H53NO8
inchi: InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33?,34+,36-,37+/m0/s1
iupac name: (1R,4S,4'E,5'S,6R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one @en
pubchem: 9571036
inchikey: YZBLFMPOMVTDJY-BFPKLJSTSA-N
broader: CHEMONTID_0002902
in scheme: Conceptschema Chemische Stoffen
notation: moxdtn

1,3-diaminobenzeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 108-45-2
formula: C6H8N2
inchi: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
iupac name: benzene-1,3-diamine @en
pubchem: 7935
smiles: C1=CC(=CC(=C1)N)N
inchikey: WZCQRUWWHSTZEM-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 13DAoBen

holmium
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7440-60-0
cas number: 24490-89-9
cas number: 110444-52-5
formula: Ho
inchi: InChI=1S/Ho
iupac name: HOLMIUM @en
pubchem: 23988
smiles: [Ho]
inchikey: KJZYNXUDTRRSPN-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Ho

koolstof 14
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14762-75-5
formula: CH4
inchi: InChI=1S/CH4/h1H4/i1+2
iupac name: Carbane-14 @en
pubchem: 26873
smiles: C
inchikey: VNWKTOKETHGBQD-NJFSPNSNSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C14

cesium 136
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14234-29-8
formula: Cs
inchi: InChI=1S/Cs/i1+3
iupac name: cesium-136 @en
pubchem: 6335316
smiles: [Cs]
inchikey: TVFDJXOCXUVLDH-AKLPVKDBSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Cs136

warfarin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 81-81-2
cas number: 56573-89-8
cas number: 5543-56-6
cas number: 5543-57-7
formula: C19H16O4
inchi: InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3
iupac name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one @en
pubchem: 6691
inchikey: QTXVAVXCBMYBJW-UHFFFAOYSA-N
broader: CHEMONTID_0001633
in scheme: Conceptschema Chemische Stoffen
notation: warfrn

zuurstof18 water
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 17778-80-2
cas number: 7732-18-5
cas number: 14314-42-2
cas number: 13670-17-2
cas number: 558440-22-5
formula: H2O
inchi: InChI=1S/H2O/h1H2
iupac name: oxidane @en
pubchem: 962
smiles: O
inchikey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen
notation: O18-H2O

2-methyl-benzaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 529-20-4
formula: C8H8O
inchi: InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
iupac name: 2-Methylbenzaldehyde @en
pubchem: 10722
smiles: CC1=CC=CC=C1C=O
inchikey: BTFQKIATRPGRBS-UHFFFAOYSA-N
broader: CHEMONTID_0000321
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yBenAh

fenoprofen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 31879-05-7
cas number: 29679-58-1
formula: C15H14O3
inchi: InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
iupac name: 2-[3-(phenoxy)phenyl]propanoic acid @en
pubchem: 3342
smiles: CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O
inchikey: RDJGLLICXDHJDY-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: fenpfn

dichloorpropanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 148584-48-9
cas number: 96-23-1
cas number: 26602-95-9
cas number: 26545-73-3
cas number: 27988-86-9
formula: C3H6Cl2O
inchi: InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
iupac name: 1,3-Dichloropropan-2-ol @en
pubchem: 7289
smiles: C(C(CCl)O)Cl
inchikey: DEWLEGDTCGBNGU-UHFFFAOYSA-N
alternative label: 1,3-dichloor-2-propanol
broader: CHEMONTID_0002608
in scheme: Conceptschema Chemische Stoffen
notation: DClC3ol
notation: 13DCl2C3ol

2,5-dichloorfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 583-78-8
formula: C6H4Cl2O
inchi: InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
iupac name: 2,5-dichlorophenol @en
pubchem: 66
smiles: C1=CC(=C(C=C1Cl)O)Cl
inchikey: RANCECPPZPIPNO-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 25DClFol

cloxacilline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 61-72-3
cas number: 50763-55-8
cas number: 8056-79-9
formula: C19H18ClN3O5S
iupac name: (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid @en
pubchem: 6098
inchikey: LQOLIRLGBULYKD-JKIFEVAISA-N
broader: CHEMONTID_0004830
in scheme: Conceptschema Chemische Stoffen
notation: cloxclne

natriumtripolyfosfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13573-18-7
formula: H3Na2O10P3
inchi: InChI=1S/2Na.H5O10P3/c;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
iupac name: disodium [hydroxy-(hydroxy-oxidophosphoryl)oxyphosphoryl] hydrogen phosphate @en
pubchem: 26118
smiles: OP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-].[Na+].[Na+]
inchikey: YVBGRQLITPHVOP-UHFFFAOYSA-L
broader: CHEMONTID_0000656
in scheme: Conceptschema Chemische Stoffen
notation: NaTplPO4

2-methylhexaanzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 4536-23-6
formula: C7H13O2-
inchi: InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1/t6-/m1/s1
iupac name: (2R)-2-methylhexanoate @en
pubchem: 6999857
smiles: CCCCC(C)C(=O)[O-]
inchikey: CVKMFSAVYPAZTQ-ZCFIWIBFSA-M
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC6azr

bisoprolol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 66722-44-9
formula: C18H31NO4
inchi: InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
iupac name: 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol @en
pubchem: 2405
smiles: CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O
inchikey: VHYCDWMUTMEGQY-UHFFFAOYSA-N
broader: CHEMONTID_0002542
in scheme: Conceptschema Chemische Stoffen
notation: bispll

1,2,3,4,8-pentachloordibenzofuraan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 67517-48-0
formula: C12H3Cl5O
inchi: InChI=1S/C12H3Cl5O/c13-4-1-2-6-5(3-4)7-8(14)9(15)10(16)11(17)12(7)18-6/h1-3H
iupac name: 1,2,3,4,8-PENTACHLORODIBENZOFURAN @en
pubchem: 49923
inchikey: ZCTNDJSCLPJCRA-UHFFFAOYSA-N
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF89

californium
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-71-3
cas number: 22541-43-1
formula: Cf
inchi: InChI=1S/Cf
iupac name: CALIFORNIUM @en
pubchem: 23997
smiles: [Cf]
inchikey: HGLDOAKPQXAFKI-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Cf

microsystine-LA
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 96180-79-9
formula: C46H67N7O12
inchi: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
iupac name: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
pubchem: 6437382
inchikey: DIAQQISRBBDJIM-DRSCAGMXSA-N
broader: CHEMONTID_0002010
in scheme: Conceptschema Chemische Stoffen
notation: MC-LA

kalium, eenwaardig
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 7440-09-7
cas number: 24203-36-9
formula: K+
inchi: InChI=1S/K/q+1
iupac name: potassium(+1) cation @en
pubchem: 813
smiles: [K+]
inchikey: NPYPAHLBTDXSSS-UHFFFAOYSA-N
alternative label: kalium
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: K

1,2-dibroomtetrafluorethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 76199-55-8
cas number: 124-73-2
formula: C2Br2F4
inchi: InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8
iupac name: 1,2-Dibromo-1,1,2,2-tetrafluoroethane @en
pubchem: 31301
smiles: C(C(F)(F)Br)(F)(F)Br
inchikey: KVBKAPANDHPRDG-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: halon2402

1,6-dioxacyclododecaan-7,12-dion
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 777-95-7
formula: C10H16O4
inchi: InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2
iupac name: 1,6-DIOXACYCLODODECANE-7,12-DIONE @en
pubchem: 13064
smiles: C1CCC(=O)OCCCCOC(=O)C1
inchikey: AXKZIDYFAMKWSA-UHFFFAOYSA-N
broader: CHEMONTID_0000147
in scheme: Conceptschema Chemische Stoffen
notation: 16DOxccC12a7

1-aminopropaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68187-45-1
cas number: 68130-69-8
cas number: 68130-70-1
cas number: 68187-43-9
cas number: 42939-71-9
cas number: 68187-44-0
cas number: 107-10-8
formula: C3H9N
inchi: InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
iupac name: Propan-1-amine @en
pubchem: 7852
smiles: CCCN
inchikey: WGYKZJWCGVVSQN-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: 1AoC3a

2-ethoxyethanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
cas number: 96231-36-6
cas number: 110-80-5
formula: C4H10O2
inchi: InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
iupac name: 2-Ethoxyethanol @en
pubchem: 8076
smiles: CCOCCO
inchikey: ZNQVEEAIQZEUHB-UHFFFAOYSA-N
is referenced by: LUC IV 003
is referenced by: LUC IV 000
is referenced by: LUC IV 012
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 2C2oxC2ol

difenoconazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 119446-68-3
formula: C19H17Cl2N3O3
iupac name: 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole @en
pubchem: 86173
inchikey: BQYJATMQXGBDHF-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: Dfncnzl

perfluor-3,5,7,9-tetraoxadecaanzuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 39492-90-5
formula: C6HF11O6
inchi: InChI=1S/C6HF11O6/c7-2(8,1(18)19)20-4(12,13)22-6(16,17)23-5(14,15)21-3(9,10)11/h(H,18,19)
iupac name: 2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetic acid @en
pubchem: 57358057
inchikey: RVMKCACFKFAJPS-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: PFO4DA

stikstofoxiden (nox), uitgedrukt als no2
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'
comment: VLAR II bijl. 2.5.3. 'stikstofoxiden'
comment: 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'
comment: VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''
comment: VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'
comment: VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'
comment: VLAR II (D2) 'stikstofoxiden (NOx)'
comment: VLAR III (D3, diverse art) 'NOx'
comment: VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'
cas number: 11104-93-1
cas number: 11129-69-4
formula: H3NO
inchi: InChI=1S/H3NO/c1-2/h1H3
iupac name: oxidoazanium @en
pubchem: 160954
smiles: [NH3+][O-]
inchikey: GSWAOPJLTADLTN-UHFFFAOYSA-N
is referenced by: LUC II 001
alternative label: stikstofoxiden (NOx), uitgedrukt als NO2
broader: CHEMONTID_0000554
definition: stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als NO2(def VLAR II, D1: stikstofoxiden: de som van stikstofmonoxide en stikstofdioxide, uitgedrukt als stikstofdioxide (NO2))
in scheme: Conceptschema Chemische Stoffen

2,4-d butyl ester
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 94-80-4
formula: C12H14Cl2O3
inchi: InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
iupac name: butyl 2-(2,4-dichlorophenoxy)acetate @en
pubchem: 7206
smiles: CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
inchikey: UQMRAFJOBWOFNS-UHFFFAOYSA-N
alternative label: 2,4-D butyl ester
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: 24DC4yEsr

clindamycine, waterstofchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 21462-39-5
formula: C18H34Cl2N2O5S
iupac name: (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride @en
pubchem: 441204
inchikey: AUODDLQVRAJAJM-GQYOKNPUSA-N
broader: CHEMONTID_0002205
in scheme: Conceptschema Chemische Stoffen

iridium 192
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14694-69-0
formula: Ir
inchi: InChI=1S/Ir/i1+0
iupac name: iridium-192 @en
pubchem: 66373
smiles: [Ir]
inchikey: GKOZUEZYRPOHIO-IGMARMGPSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ir192

lamotrigine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 84057-84-1
formula: C9H7Cl2N5
inchi: InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
iupac name: 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine @en
pubchem: 3878
smiles: C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N
inchikey: PYZRQGJRPPTADH-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: lamtgne

metolachlor
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 63150-68-5
cas number: 55762-76-0
cas number: 82535-90-8
cas number: 94449-58-8
cas number: 51218-45-2
formula: C15H22ClNO2
inchi: InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
iupac name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide @en
pubchem: 4169
smiles: CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C
inchikey: WVQBLGZPHOPPFO-UHFFFAOYSA-N
alternative label: metolachloor
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: metlCl

2-nitro-p-cresol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 119-33-5
cas number: 68137-08-6
cas number: 12167-20-3
formula: C7H7NO3
inchi: InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
iupac name: 4-Methyl-2-nitrophenol @en
pubchem: 8391
smiles: CC1=CC(=C(C=C1)O)[N+](=O)[O-]
inchikey: SYDNSSSQVSOXTN-UHFFFAOYSA-N
broader: CHEMONTID_0000141
in scheme: Conceptschema Chemische Stoffen
notation: 2NO2pcsl

ammoniumperchloraat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 28499-39-0
cas number: 7790-98-9
cas number: 222532-79-8
cas number: 19166-97-3
cas number: 87110-01-8
cas number: 13777-04-3
cas number: 53026-82-7
formula: ClH4NO4
inchi: InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3
iupac name: azanium perchlorate @en
pubchem: 24639
smiles: [NH4+].[O-]Cl(=O)(=O)=O
inchikey: HHEFNVCDPLQQTP-UHFFFAOYSA-N
broader: CHEMONTID_0001065
in scheme: Conceptschema Chemische Stoffen
notation: NH4ClO4

chroom 51
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14392-02-0
formula: Cr
inchi: InChI=1S/Cr/i1-1
iupac name: chromium-51 @en
pubchem: 104786
smiles: [Cr]
inchikey: VYZAMTAEIAYCRO-BJUDXGSMSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Cr51

5-beta-cholestan-3-beta-ol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 360-68-9
formula: C27H48O
inchi: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
iupac name: (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
pubchem: 221122
inchikey: QYIXCDOBOSTCEI-NWKZBHTNSA-N
broader: CHEMONTID_0001469
in scheme: Conceptschema Chemische Stoffen
notation: 5acholet3bol

myristoleinezuur
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 544-64-9
formula: C14H26O2
inchi: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
iupac name: (Z)-Tetradec-9-enoic acid @en
pubchem: 5281119
smiles: CCCCC=CCCCCCCCC(=O)O
inchikey: YWWVWXASSLXJHU-WAYWQWQTSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: myrslinzr

fenpropathrin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 39515-41-8
cas number: 64257-84-7
formula: C22H23NO3
inchi: InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate @en
pubchem: 47326
smiles: CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
inchikey: XQUXKZZNEFRCAW-UHFFFAOYSA-N
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: fenpratn

naproxen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 26159-31-9
cas number: 22204-53-1
cas number: 23981-80-8
formula: C14H14O3
inchi: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
iupac name: 2-(6-methoxynaphthalen-2-yl)propanoic acid @en
pubchem: 1302
smiles: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
inchikey: CMWTZPSULFXXJA-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: napxn

2-propenylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 128961-80-8
cas number: 57807-91-7
cas number: 300-57-2
formula: C9H10
inchi: InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
iupac name: prop-2-enylbenzene @en
pubchem: 9309
smiles: C=CCC1=CC=CC=C1
inchikey: HJWLCRVIBGQPNF-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 2C3yeBen

1,2,3,4-tetrahydronaftaleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 68412-24-8
cas number: 119-64-2
formula: C10H12
inchi: InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
iupac name: 1,2,3,4-Tetrahydronaphthalene @en
pubchem: 8404
smiles: C1CCC2=CC=CC=C2C1
inchikey: CXWXQJXEFPUFDZ-UHFFFAOYSA-N
broader: CHEMONTID_0000048
in scheme: Conceptschema Chemische Stoffen
notation: 1234T4HNaf

hydrocortison
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 8063-42-1
cas number: 50-23-7
cas number: 80562-38-5
cas number: 8056-08-4
formula: C21H30O5
inchi: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
iupac name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one @en
pubchem: 5754
inchikey: JYGXADMDTFJGBT-VWUMJDOOSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: Hcortsn

praeseodyum
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 110123-50-7
cas number: 7440-10-0
cas number: 24562-03-6
formula: Pr
inchi: InChI=1S/Pr
iupac name: praseodymium @en
pubchem: 23942
smiles: [Pr]
inchikey: PUDIUYLPXJFUGB-UHFFFAOYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Pr

1,1-dichloor-1,2,2-trifluorethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 812-04-4
formula: C2HCl2F3
inchi: InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H
iupac name: 1,1-Dichloro-1,2,2-trifluoroethane @en
pubchem: 13132
smiles: C(C(F)(Cl)Cl)(F)F
inchikey: AFTSHZRGGNMLHC-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK123b

isopropylmyristaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 110-27-0
cas number: 1405-98-7
formula: C17H34O2
inchi: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
iupac name: propan-2-yl tetradecanoate @en
pubchem: 8042
smiles: CCCCCCCCCCCCCC(=O)OC(C)C
inchikey: AXISYYRBXTVTFY-UHFFFAOYSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: iC3ymrtt

2-benzothiazolethiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4464-58-8
cas number: 119170-41-1
cas number: 55199-93-4
cas number: 112242-83-8
cas number: 81605-65-4
cas number: 12640-90-3
cas number: 149-30-4
formula: C7H5NS2
inchi: InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
iupac name: 3H-1,3-benzothiazole-2-thione @en
pubchem: 8997
smiles: C1=CC=C2C(=C1)N=C(S2)S
inchikey: YXIWHUQXZSMYRE-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 2benztazetol

zoxamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 156052-68-5
cas number: 160171-18-6
formula: C14H16Cl3NO2
inchi: InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)
iupac name: 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide @en
pubchem: 122087
inchikey: SOUGWDPPRBKJEX-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: zOaAd

fenfluthrin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 67640-14-6
formula: C15H11Cl2F5O2
iupac name: (2,3,4,5,6-pentafluorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 128901
inchikey: YATDSXRLIUJOQN-UHFFFAOYSA-N
broader: CHEMONTID_0001097
in scheme: Conceptschema Chemische Stoffen
notation: fenftn

natriumfluoracetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 62-74-8
formula: C2H2FNaO2
inchi: InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
iupac name: sodium 2-fluoroacetate @en
pubchem: 6123
smiles: C(C(=O)[O-])F.[Na+]
inchikey: JGFYQVQAXANWJU-UHFFFAOYSA-M
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: NaFactt

3-ethyltolueen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 620-14-4
formula: C9H12
inchi: InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
iupac name: 1-Ethyl-3-methylbenzene @en
pubchem: 12100
smiles: CCC1=CC=CC(=C1)C
inchikey: ZLCSFXXPPANWQY-UHFFFAOYSA-N
broader: CHEMONTID_0001091
in scheme: Conceptschema Chemische Stoffen
notation: 3C2yTol

2,2',3,3',4,4',6-heptachloorbifenyl
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52663-71-5
formula: C12H3Cl7
inchi: InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H
iupac name: 1,2,3,5-tetrachloro-4-(2,3,4-trichlorophenyl)benzene @en
pubchem: 40478
inchikey: TZMHVHLTPWKZCI-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB171

diundecylftalaat (vertakt en lineair)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 154766-25-3
cas number: 85507-79-5
cas number: 3648-20-2
formula: C30H50O4
inchi: InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3
iupac name: diundecyl benzene-1,2-dicarboxylate @en
pubchem: 19283
inchikey: QQVHEQUEHCEAKS-UHFFFAOYSA-N
alternative label: diundecylftalaat
alternative label: di-n-undecylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC11yFtvteln
notation: DC11yFt

4-aminoantipyrine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 83-07-8
formula: C11H13N3O
inchi: InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
iupac name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one @en
pubchem: 2151
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
inchikey: RLFWWDJHLFCNIJ-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: 4Aoatprne

titaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 37246-36-9
cas number: 37301-57-8
cas number: 37246-34-7
cas number: 57854-37-2
cas number: 14067-04-0
cas number: 7440-32-6
cas number: 11147-83-4
cas number: 195161-81-0
cas number: 37333-92-9
cas number: 54319-51-6
cas number: 12718-64-8
cas number: 67796-94-5
cas number: 53549-90-9
cas number: 182260-48-6
cas number: 37261-68-0
cas number: 12794-00-2
cas number: 37269-05-9
cas number: 62650-70-8
cas number: 37246-37-0
formula: Ti
inchi: InChI=1S/Ti
iupac name: TITANIUM @en
pubchem: 23963
smiles: [Ti]
inchikey: RTAQQCXQSZGOHL-UHFFFAOYSA-N
alternative label: titanium
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ti

aceetamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 60-35-5
formula: C2H5NO
inchi: InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
iupac name: ACETAMIDE @en
pubchem: 178
smiles: CC(=O)N
inchikey: DLFVBJFMPXGRIB-UHFFFAOYSA-N
broader: CHEMONTID_0002484
in scheme: Conceptschema Chemische Stoffen
notation: actAd

teflubenzuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 99039-56-2
cas number: 83121-18-0
formula: C14H6Cl2F4N2O2
iupac name: N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide @en
pubchem: 91734
inchikey: CJDWRQLODFKPEL-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: tefbzrn

gamma-hexachloorcyclohexaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 58-89-9
formula: C6H6Cl6
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+
iupac name: (1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en
inchikey: JLYXXMFPNIAWKQ-GNIYUCBRSA-N
alternative label: lindaan
alternative label: γ-lindaan
alternative label: γ-hexachlorocyclohexaan
broader: CHEMONTID_0004485
in scheme: Conceptschema Chemische Stoffen
notation: gHCH

paramethason
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 53-33-8
formula: C22H29FO5
inchi: InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1
iupac name: (6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one @en
pubchem: 5875
inchikey: MKPDWECBUAZOHP-AFYJWTTESA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: parmtsn

beta-hexachloorcyclohexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 319-85-7
formula: C6H6Cl6
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-
iupac name: (1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane @en
inchikey: JLYXXMFPNIAWKQ-CDRYSYESSA-N
alternative label: β-hexachlorocyclohexaan
alternative label: β-lindaan
broader: CHEMONTID_0004485
in scheme: Conceptschema Chemische Stoffen
notation: bHCH

3,5-dichloorfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 591-35-5
formula: C6H4Cl2O
inchi: InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
iupac name: 3,5-Dichlorophenol @en
pubchem: 11571
smiles: C1=C(C=C(C=C1Cl)Cl)O
inchikey: VPOMSPZBQMDLTM-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 35DClFol

1-isopropyl-3-methyl-benzeen (m-cymeen)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 535-77-3
formula: C10H14
inchi: InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
iupac name: 1-methyl-3-propan-2-ylbenzene @en
pubchem: 10812
smiles: CC1=CC(=CC=C1)C(C)C
inchikey: XCYJPXQACVEIOS-UHFFFAOYSA-N
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: 1iC3y3C1yBen

chloorthalonil
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1897-45-6
cas number: 101963-73-9
cas number: 37223-69-1
formula: C8Cl4N2
inchi: InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
iupac name: 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile @en
pubchem: 15910
smiles: C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl
inchikey: CRQQGFGUEAVUIL-UHFFFAOYSA-N
broader: CHEMONTID_0001530
in scheme: Conceptschema Chemische Stoffen
notation: Cltlnl

ethanol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
comment: VLAR II Art 5.23.1.1.
cas number: 64-17-5
cas number: 121182-78-3
cas number: 68475-56-9
cas number: 71076-86-3
cas number: 8000-16-6
cas number: 71329-38-9
cas number: 8024-45-1
formula: C2H6O
inchi: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
iupac name: ethanol @en
pubchem: 702
smiles: CCO
inchikey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
is referenced by: LUC IV 012
is referenced by: LUC IV 000
is referenced by: LUC IV 009
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
notation: C2OH

n-methylethanolamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 109-83-1
formula: C3H9NO
inchi: InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
iupac name: 2-Methylaminoethanol @en
pubchem: 8016
smiles: CNCCO
inchikey: OPKOKAMJFNKNAS-UHFFFAOYSA-N
alternative label: N-methylethanolamine
broader: CHEMONTID_0001897
in scheme: Conceptschema Chemische Stoffen
notation: NMEA

europium 155
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14391-16-3
formula: Eu
inchi: InChI=1S/Eu/i1+3
iupac name: europium-155 @en
pubchem: 105088
smiles: [Eu]
inchikey: OGPBJKLSAFTDLK-AKLPVKDBSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Eu155

fenhexamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 126833-17-8
formula: C14H17Cl2NO2
inchi: InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)
iupac name: N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide @en
pubchem: 213031
smiles: CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl
inchikey: VDLGAVXLJYLFDH-UHFFFAOYSA-N
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
notation: fenhxAd

monofenyltin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2406-68-0
formula: C6H7Sn
inchi: InChI=1S/C6H7.Sn/c1-2-4-6-5-3-1;/h1-5H,6H2;
iupac name: 1-cyclohexa-2,4-dienyltin @en
pubchem: 6335496
smiles: C1C=CC=CC1[Sn]
inchikey: JDWJZEXJARCHAT-UHFFFAOYSA-N
broader: CHEMONTID_0004441
in scheme: Conceptschema Chemische Stoffen

ioxynil
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1689-83-4
formula: C7H3I2NO
inchi: InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
iupac name: 4-Hydroxy-3,5-diiodobenzonitrile @en
pubchem: 15530
smiles: C1=C(C=C(C(=C1I)O)I)C#N
inchikey: NRXQIUSYPAHGNM-UHFFFAOYSA-N
broader: CHEMONTID_0001530
in scheme: Conceptschema Chemische Stoffen
notation: iOxnl

ammonium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14158-23-7
cas number: 6684-80-6
cas number: 14798-03-9
formula: H4N+
inchi: InChI=1S/H3N/h1H3/p+1
iupac name: ['azanium', 'nitrogen(+1) dihydride cation'] @en
pubchem: 223
smiles: [NH4+]
inchikey: QGZKDVFQNNGYKY-UHFFFAOYSA-O
is referenced by: WAC III E 022
is referenced by: CMA 2 I E.2
is referenced by: WAC III E 021
is referenced by: CMA 2 I E.1
is referenced by: WAC IV A 003
is referenced by: LUC VII 001
is referenced by: CMA 2 I E.4
is referenced by: WAC III E 023
is referenced by: CMA 2 II A.16
is referenced by: WAC III D 030
is referenced by: CMA 2 I E
is referenced by: WAC V B 003
is referenced by: CMA 2 I C.8
is referenced by: WAC III E 020
is referenced by: LUC III 003
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen
notation: NH4

3,4-dichloornitrobenzeen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 99-54-7
formula: C6H3Cl2NO2
inchi: InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
iupac name: 1,2-Dichloro-4-nitrobenzene @en
pubchem: 7443
smiles: C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
inchikey: NTBYINQTYWZXLH-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 34DClNO2Ben

hexahydro-1,3,5-trinitro-1,3,5-triazin (rdx)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 82030-42-0
cas number: 53800-53-6
cas number: 57608-45-4
cas number: 121-82-4
cas number: 50579-23-2
cas number: 204655-61-8
formula: C3H6N6O6
inchi: InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2
iupac name: 1,3,5-trinitro-1,3,5-triazinane @en
pubchem: 8490
smiles: C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchikey: XTFIVUDBNACUBN-UHFFFAOYSA-N
alternative label: hexahydro-1,3,5-trinitro-1,3,5-triazin (RDX)
broader: CHEMONTID_0002798
in scheme: Conceptschema Chemische Stoffen
notation: RDX

2-octanol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 4128-31-8
cas number: 113244-40-9
cas number: 113301-48-7
cas number: 6169-06-8
cas number: 123-96-6
cas number: 25339-16-6
formula: C8H18O
inchi: InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
iupac name: octan-2-ol @en
pubchem: 20083
smiles: CCCCCCC(C)O
inchikey: SJWFXCIHNDVPSH-UHFFFAOYSA-N
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
notation: 2C8ol

di-isoheptylftalaat (mix van isomeren)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 71888-89-6
cas number: 151852-28-7
cas number: 41451-28-9
formula: C22H34O4
inchi: InChI=1S/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3
iupac name: bis(5-methylhexyl) benzene-1,2-dicarboxylate @en
pubchem: 591200
inchikey: RKELNIPLHQEBJO-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen

chloralhydraat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 302-17-0
cas number: 109128-19-0
formula: C2H3Cl3O2
inchi: InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
iupac name: 2,2,2-Trichloroethane-1,1-diol @en
pubchem: 2707
smiles: C(C(Cl)(Cl)Cl)(O)O
inchikey: RNFNDJAIBTYOQL-UHFFFAOYSA-N
alternative label: trichlooracetal-dehyde-hydraat
alternative label: trichlooracetaldehyde-hydraat
broader: CHEMONTID_0002608
in scheme: Conceptschema Chemische Stoffen
notation: Clahdt

1-chloor-3-nitrobenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 121-73-3
formula: C6H4ClNO2
inchi: InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
iupac name: 1-Chloro-3-nitrobenzene @en
pubchem: 8489
smiles: C1=CC(=CC(=C1)Cl)[N+](=O)[O-]
inchikey: KMAQZIILEGKYQZ-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 1Cl3NO2Ben

erytromycine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 82343-12-2
cas number: 114-07-8
formula: C37H67NO13
inchi: InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
iupac name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione @en
pubchem: 12560
inchikey: ULGZDMOVFRHVEP-RWJQBGPGSA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: ertmcne

borneol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 10385-78-1
cas number: 507-70-0
formula: C10H18O
inchi: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
iupac name: 1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol @en
pubchem: 64685
smiles: CC1(C2CCC1(C(C2)O)C)C
inchikey: DTGKSKDOIYIVQL-UHFFFAOYSA-N
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
notation: bornol

p-anisidine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 104-94-9
formula: C7H9NO
inchi: InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
iupac name: 4-Methoxyaniline @en
pubchem: 7732
smiles: COC1=CC=C(C=C1)N
inchikey: BHAAPTBBJKJZER-UHFFFAOYSA-N
broader: CHEMONTID_0004670
in scheme: Conceptschema Chemische Stoffen
notation: pansdne

mestranol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 43085-54-7
cas number: 72-33-3
cas number: 53445-46-8
formula: C21H26O2
inchi: InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
iupac name: (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol @en
pubchem: 6291
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
inchikey: IMSSROKUHAOUJS-MJCUULBUSA-N
broader: CHEMONTID_0001466
in scheme: Conceptschema Chemische Stoffen
notation: mesnl

5h-dibenz[b,f]azepine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 256-96-2
formula: C14H11N
inchi: InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
iupac name: 11H-benzo[b][1]benzazepine @en
pubchem: 9212
smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
inchikey: LCGTWRLJTMHIQZ-UHFFFAOYSA-N
alternative label: 5H-dibenz[b,f]azepine
broader: CHEMONTID_0000320
in scheme: Conceptschema Chemische Stoffen
notation: 5HDbenzbfazp

arsenaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 25537-06-8
cas number: 15584-04-0
cas number: 11126-32-2
formula: AsO4-3
inchi: InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3
iupac name: arsorate @en
pubchem: 27401
smiles: [O-][As](=O)([O-])[O-]
inchikey: DJHGAFSJWGLOIV-UHFFFAOYSA-K
broader: CHEMONTID_0001474
in scheme: Conceptschema Chemische Stoffen
notation: AsO4

natriumnitriet
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 7632-00-0
cas number: 32863-15-3
cas number: 82998-40-1
cas number: 82497-43-6
cas number: 56227-20-4
formula: NNaO2
inchi: InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
iupac name: SODIUM NITRITE @en
pubchem: 24269
smiles: N(=O)[O-].[Na+]
inchikey: LPXPTNMVRIOKMN-UHFFFAOYSA-M
broader: CHEMONTID_0000644
in scheme: Conceptschema Chemische Stoffen
notation: NNaO2

ethylamylketon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 106-68-3
formula: C8H16O
inchi: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
iupac name: Octan-3-one @en
pubchem: 246728
smiles: CCCCCC(=O)CC
inchikey: RHLVCLIPMVJYKS-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: C2yamktn

2-amino-5-chloor-4-methylbenzeensulfonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 88-53-9
formula: C7H8ClNO3S
inchi: InChI=1S/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)
iupac name: 2-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID @en
pubchem: 6936
smiles: CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N
inchikey: VYZCFAPUHSSYCC-UHFFFAOYSA-N
broader: CHEMONTID_0003278
in scheme: Conceptschema Chemische Stoffen
notation: 2Ao5Cl4C1yBe

2,6-dichloorbenzamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 70852-53-8
cas number: 2008-58-4
formula: C7H5Cl2NO
inchi: InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
iupac name: 2,6-Dichlorobenzamide @en
pubchem: 16183
smiles: C1=CC(=C(C(=C1)Cl)C(=O)N)Cl
inchikey: JHSPCUHPSIUQRB-UHFFFAOYSA-N
alternative label: 2,6-dichlorobenzamide (bam)
broader: CHEMONTID_0003098
in scheme: Conceptschema Chemische Stoffen
notation: 26DClBenAd

dialifos
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 10311-84-9
formula: C14H17ClNO4PS2
pubchem: 25146
inchikey: MUMQYXACQUZOFP-UHFFFAOYSA-N
broader: CHEMONTID_0004749
in scheme: Conceptschema Chemische Stoffen
notation: Dalfs

chloordimeform
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 6164-98-3
formula: C10H13ClN2
inchi: InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3
iupac name: N'-(4-Chloro-2-methylphenyl)-N,N-dimethylmethanimidamide @en
pubchem: 22544
smiles: CC1=C(C=CC(=C1)Cl)N=CN(C)C
inchikey: STUSTWKEFDQFFZ-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: ClDmfm

2-propaanthiol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 75-33-2
formula: C3H8S
inchi: InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3
iupac name: Propane-2-thiol @en
pubchem: 6364
smiles: CC(C)S
inchikey: KJRCEJOSASVSRA-UHFFFAOYSA-N
broader: CHEMONTID_0001212
in scheme: Conceptschema Chemische Stoffen
notation: 2C3atol

3-methylpyrazol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1453-58-3
cas number: 88054-14-2
formula: C4H6N2
inchi: InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
iupac name: 3-methyl-2H-pyrazole @en
pubchem: 15073
smiles: CC1=CC=NN1
inchikey: XKVUYEYANWFIJX-UHFFFAOYSA-N
broader: CHEMONTID_0000087
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yprzl

N,N-dimethyl-N'-fenylsulfamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4710-17-2
formula: C8H12N2O2S
inchi: InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3
iupac name: (dimethylsulfamoylamino)benzene @en
pubchem: 78441
smiles: CN(C)S(=O)(=O)NC1=CC=CC=C1
inchikey: QCDQDISRALTLNQ-UHFFFAOYSA-N
alternative label: n,n-dimethyl-n'-fenylsulfamide
broader: CHEMONTID_0000038
in scheme: Conceptschema Chemische Stoffen
notation: NNDC1yNFysAd

californium 251
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15765-19-2
formula: Cf
inchi: InChI=1S/Cf/i1+0
iupac name: californium-251 @en
pubchem: 167416
smiles: [Cf]
inchikey: HGLDOAKPQXAFKI-IGMARMGPSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Cf251

gemcitabine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 95058-81-4
formula: C9H11F2N3O4
inchi: InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
iupac name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one @en
pubchem: 60750
smiles: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F
inchikey: SDUQYLNIPVEERB-QPPQHZFASA-N
broader: CHEMONTID_0002180
in scheme: Conceptschema Chemische Stoffen
notation: gemctbne

2,2-dichloor-1,1,1,3,3-pentafluorpropaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 128903-21-9
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-2(5,1(6)7)3(8,9)10/h1H
iupac name: 2,2-DICHLORO-1,1,1,3,3-PENTAFLUOROPROPANE @en
pubchem: 62315
smiles: C(C(C(F)(F)F)(Cl)Cl)(F)F
inchikey: JEWUXLHWYRSHJK-UHFFFAOYSA-N
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225aa

methylcarbamaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 598-55-0
formula: C2H5NO2
inchi: InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)
iupac name: Methyl carbamate @en
pubchem: 11722
smiles: COC(=O)N
inchikey: GTCAXTIRRLKXRU-UHFFFAOYSA-N
broader: CHEMONTID_0004787
in scheme: Conceptschema Chemische Stoffen
notation: C1ycbmt

benzo(a)pyreen (b)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II (D2) 'benzo(a)pyreen'
comment: VLAR II bijl. 4.4.2
comment: VLAR II bijl. 2.5.8.1.'B(a)P'
comment: VLAR III (D3, diverse art)
cas number: 42299-33-2
cas number: 50-32-8
cas number: 819804-28-9
cas number: 6699-27-0
cas number: 34505-58-3
formula: C20H12
inchi: InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
iupac name: Benzo[a]pyrene @en
pubchem: 2336
inchikey: FMMWHPNWAFZXNH-UHFFFAOYSA-N
is referenced by: LUC VI 001
alternative label: benzo(a)pyreen
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
notation: BaP

ethylbromofos
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 4824-78-6
formula: C10H12BrCl2O3PS
iupac name: (4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane @en
pubchem: 20965
smiles: CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl
inchikey: KWGUFOITWDSNQY-UHFFFAOYSA-N
alternative label: bromofos-ethyl
alternative label: bromophos-ethyl
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: C2yBrfs

ruthenium
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 57572-01-7
cas number: 100041-48-3
cas number: 7440-18-8
formula: Ru
inchi: InChI=1S/Ru
iupac name: RUTHENIUM @en
pubchem: 23950
smiles: [Ru]
inchikey: KJTLSVCANCCWHF-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Ru

tetradecyltrimethylammonium bromide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 8044-71-1
cas number: 114568-24-0
cas number: 1119-97-7
cas number: 10182-92-0
formula: C17H38BrN
inchi: InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
iupac name: trimethyl-tetradecylazanium bromide @en
pubchem: 14250
smiles: CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
inchikey: CXRFDZFCGOPDTD-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: C14yTC1yNH4B

fenylaceton
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 103-79-7
cas number: 136675-26-8
formula: C9H10O
inchi: InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
iupac name: 1-phenylpropan-2-one @en
pubchem: 7678
smiles: CC(=O)CC1=CC=CC=C1
inchikey: QCCDLTOVEPVEJK-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: Fyactn

3,3'-dimethylbenzidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 119-93-7
formula: C14H16N2
inchi: InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3
iupac name: 4-(4-amino-3-methylphenyl)-2-methylaniline @en
pubchem: 8413
smiles: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
inchikey: NUIURNJTPRWVAP-UHFFFAOYSA-N
broader: CHEMONTID_0003956
in scheme: Conceptschema Chemische Stoffen
notation: 33DC1ybzdne

furazolidon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 8027-73-4
cas number: 8023-25-4
cas number: 67-45-8
formula: C8H7N3O5
inchi: InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+
iupac name: 3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one @en
pubchem: 5323714
smiles: C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]
inchikey: PLHJDBGFXBMTGZ-WEVVVXLNSA-N
broader: CHEMONTID_0000194
in scheme: Conceptschema Chemische Stoffen
notation: furzldn

nitraat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14797-55-8
cas number: 84145-82-4
formula: NO3-
inchi: InChI=1S/NO3/c2-1(3)4/q-1
iupac name: ['NITRATE', 'azonic acid'] @en
pubchem: 943
smiles: [N+](=O)([O-])[O-]
inchikey: NHNBFGGVMKEFGY-UHFFFAOYSA-N
is referenced by: WAC III C 002
is referenced by: CMA 2 IV 4
is referenced by: WAC III D 032
broader: CHEMONTID_0001062
in scheme: Conceptschema Chemische Stoffen
notation: NO3

4-methylquinoline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 491-35-0
formula: C10H9N
inchi: InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
iupac name: 4-Methylquinoline @en
pubchem: 10285
smiles: CC1=CC=NC2=CC=CC=C12
inchikey: MUDSDYNRBDKLGK-UHFFFAOYSA-N
broader: CHEMONTID_0001253
in scheme: Conceptschema Chemische Stoffen
notation: 4C1yqnlne

clotrimazol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 117829-71-7
cas number: 23593-75-1
formula: C22H17ClN2
inchi: InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
iupac name: 1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole @en
pubchem: 2812
inchikey: VNFPBHJOKIVQEB-UHFFFAOYSA-N
broader: CHEMONTID_0004524
in scheme: Conceptschema Chemische Stoffen
notation: clotmzl

trans-permetryn
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 61949-77-7
formula: C21H20Cl2O3
inchi: InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1
iupac name: [3-(phenoxy)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 43859
inchikey: RLLPVAHGXHCWKJ-MJGOQNOKSA-N
alternative label: trans-permethrin
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: tpermtn

fosmet-oxon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3735-33-9
formula: C11H12NO5PS
inchi: InChI=1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
pubchem: 77323
smiles: COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O
inchikey: BEMXOWRVWRNPPL-UHFFFAOYSA-N
broader: CHEMONTID_0004749
in scheme: Conceptschema Chemische Stoffen
notation: fosmOon

simetryn
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1014-70-6
formula: C8H15N5S
inchi: InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
iupac name: N,N'-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine @en
pubchem: 13905
smiles: CCNC1=NC(=NC(=N1)SC)NCC
inchikey: MGLWZSOBALDPEK-UHFFFAOYSA-N
broader: CHEMONTID_0004735
in scheme: Conceptschema Chemische Stoffen
notation: simtn

naptalam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 132-66-1
formula: C18H13NO3
inchi: InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
iupac name: 2-(naphthalen-1-ylcarbamoyl)benzoic acid @en
pubchem: 8594
inchikey: JXTHEWSKYLZVJC-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: naptlm

alfa-hexylcinnamaldehyde
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 101-86-0
formula: C15H20O
inchi: InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
iupac name: ['2-(phenylmethylidene)octanal', '(2E)-2-(phenylmethylidene)octanal'] @en
pubchem: 1550884
smiles: CCCCCCC(=CC1=CC=CC=C1)C=O
inchikey: GUUHFMWKWLOQMM-NTCAYCPXSA-N
broader: CHEMONTID_0000029
in scheme: Conceptschema Chemische Stoffen
notation: aC6ycinnAh

octaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
cas number: 111-65-9
cas number: 50985-84-7
cas number: 31372-91-5
formula: C8H18
inchi: InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
iupac name: octane @en
pubchem: 356
smiles: CCCCCCCC
inchikey: TVMXDCGIABBOFY-UHFFFAOYSA-N
is referenced by: WAC IV A 016
is referenced by: LUC IV 011
is referenced by: LUC IV 006
is referenced by: LUC IV 000
alternative label: n-octaan
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C8a

perfluoroctaansulfonamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 754-91-6
formula: C8H2F17NO2S
inchi: InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide @en
pubchem: 69785
inchikey: RRRXPPIDPYTNJG-UHFFFAOYSA-N
alternative label: perfluoroctaansulfonamide (pfosa)
alternative label: perfluor-n-octaansulfonamide
broader: CHEMONTID_0003960
in scheme: Conceptschema Chemische Stoffen
notation: PFOSA

3-chloor-4-nitrotolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 38939-88-7
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
iupac name: 2-chloro-4-methyl-1-nitrobenzene @en
pubchem: 123478
smiles: CC1=CC(=C(C=C1)[N+](=O)[O-])Cl
inchikey: KGSQRFPDZCBVBS-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 3Cl4NO2Tol

17alpha-estradiol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 57-91-0
formula: C18H24O2
inchi: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
iupac name: (8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol @en
pubchem: 68570
smiles: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
inchikey: VOXZDWNPVJITMN-SFFUCWETSA-N
alternative label: 17-alfa-estradiol
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
notation: 17aestDol

trifenmorf
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1420-06-0
formula: C23H23NO
inchi: InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2
iupac name: 4-[tri(phenyl)methyl]morpholine @en
pubchem: 14993
inchikey: ZJMLMBICUVVJDX-UHFFFAOYSA-N
broader: CHEMONTID_0004524
in scheme: Conceptschema Chemische Stoffen
notation: Tfmf

triethyleenglycol dimethacrylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 77302-65-9
cas number: 116117-65-8
cas number: 76611-53-5
cas number: 121484-13-7
cas number: 143083-95-8
cas number: 212247-03-5
cas number: 121150-61-6
cas number: 72145-92-7
cas number: 52325-89-0
cas number: 64641-52-7
cas number: 202134-79-0
cas number: 102770-39-8
cas number: 113723-03-8
cas number: 107869-00-1
cas number: 120415-48-7
cas number: 184845-37-2
cas number: 37291-80-8
cas number: 109-16-0
formula: C14H22O6
inchi: InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3
iupac name: 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate @en
pubchem: 7979
smiles: CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C
inchikey: HWSSEYVMGDIFMH-UHFFFAOYSA-N
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: TC2yegclDmtc

7-aminoflunitrazepam
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 34084-50-9
formula: C16H14FN3O
inchi: InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3
iupac name: 7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one @en
pubchem: 92294
inchikey: LTCDLGUFORGHGY-UHFFFAOYSA-N
broader: CHEMONTID_0004097
in scheme: Conceptschema Chemische Stoffen
notation: 7Aofntzpm

1-noneen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 68855-57-2
cas number: 124-11-8
cas number: 68526-55-6
formula: C9H18
inchi: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
iupac name: non-1-ene @en
pubchem: 31285
smiles: CCCCCCCC=C
inchikey: JRZJOMJEPLMPRA-UHFFFAOYSA-N
is referenced by: LUC IV 011
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 1C9e

pyraclostrobin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 175013-18-0
formula: C19H18ClN3O4
inchi: InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
iupac name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate @en
pubchem: 6422843
inchikey: HZRSNVGNWUDEFX-UHFFFAOYSA-N
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: pyrcsbn

isosorbide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 152881-21-5
cas number: 151380-60-8
cas number: 652-67-5
cas number: 50974-60-2
cas number: 42750-75-4
cas number: 49871-92-3
formula: C6H10O4
inchi: InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1
iupac name: (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol @en
pubchem: 12597
smiles: C1C(C2C(O1)C(CO2)O)O
inchikey: KLDXJTOLSGUMSJ-JGWLITMVSA-N
broader: CHEMONTID_0001987
in scheme: Conceptschema Chemische Stoffen
notation: issbde

dibenzo(a,i)pyreen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 191-30-0
formula: C24H14
inchi: InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H
iupac name: hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene @en
pubchem: 9119
inchikey: JNTHRSHGARDABO-UHFFFAOYSA-N
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
notation: DBaiP

2,6,6-trimethyl-1-cyclohexeen-1-carboxaldehyde
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 52844-21-0
cas number: 432-25-7
formula: C10H16O
inchi: InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
iupac name: 2,6,6-Trimethylcyclohexene-1-carbaldehyde @en
pubchem: 9895
smiles: CC1=C(C(CCC1)(C)C)C=O
inchikey: MOQGCGNUWBPGTQ-UHFFFAOYSA-N
broader: CHEMONTID_0003940
in scheme: Conceptschema Chemische Stoffen
notation: 226TC1y1ccC6

C.I. Direct Blue 218
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 27569-07-9
cas number: 10401-50-0
cas number: 72882-28-1
cas number: 23909-66-2
cas number: 28407-37-6
cas number: 190258-21-0
formula: C32H20Cu2N6Na4O16S4
iupac name: tetrasodium; (3E)-5-amino-3-[[4-[4-[(2E)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-hydroxyphenyl]-2-hydroxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate; copper @en
pubchem: 9570455
inchikey: RIQIBKLXYRWFEJ-BRBBMYSQSA-J
alternative label: c.i. direct blue 218
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: cidbe218

3,3',4,4'-tetrabroomdifenylether
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 77102-82-0
formula: C12H6Br4
inchi: InChI=1S/C12H6Br4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
iupac name: 1,2-dibromo-4-(3,4-dibromophenyl)benzene @en
pubchem: 107953
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)Br)Br)Br
inchikey: BVGDXTYHVRFEQZ-UHFFFAOYSA-N
broader: CHEMONTID_0003954
in scheme: Conceptschema Chemische Stoffen
notation: PBDE77

tetrakis(hydroxymethyl)fosfoniumsulfaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 65257-04-7
cas number: 58591-11-0
cas number: 55566-30-8
formula: C8H24O12P2S
inchi: InChI=1S/2C4H12O4P.H2O4S/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2
iupac name: tetrakis(hydroxymethyl)phosphanium sulfate @en
pubchem: 41478
smiles: C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]
inchikey: YIEDHPBKGZGLIK-UHFFFAOYSA-L
broader: CHEMONTID_0001180
in scheme: Conceptschema Chemische Stoffen
notation: T4kHOC1yPSO4

5-methyl-o-anisidine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 120-71-8
formula: C8H11NO
inchi: InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
iupac name: 2-Methoxy-5-methylaniline @en
pubchem: 8445
smiles: CC1=CC(=C(C=C1)OC)N
inchikey: WXWCDTXEKCVRRO-UHFFFAOYSA-N
broader: CHEMONTID_0004670
in scheme: Conceptschema Chemische Stoffen
notation: 5C1yoansdne

3,3'-dichloorbenzidine dihydrochloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 612-83-9
formula: C12H12Cl4N2
inchi: InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H
iupac name: 4-(4-amino-3-chlorophenyl)-2-chloroaniline dihydrochloride @en
pubchem: 11933
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl
inchikey: BXAONUZFBUNTQR-UHFFFAOYSA-N
broader: CHEMONTID_0003956
in scheme: Conceptschema Chemische Stoffen
notation: 33DClbzdnDHC

2,5-dihydro-2,5-dimethoxyfuran
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 332-77-4
formula: C6H10O3
inchi: InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3
iupac name: 2,5-DIMETHOXY-2,5-DIHYDROFURAN @en
pubchem: 78974
smiles: COC1C=CC(O1)OC
inchikey: WXFWXFIWDGJRSC-UHFFFAOYSA-N
broader: CHEMONTID_0001983
in scheme: Conceptschema Chemische Stoffen
notation: 25DHOx25DC1o

diethylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 109-89-7
formula: C4H11N
inchi: InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
iupac name: N-ethylethanamine @en
pubchem: 8021
smiles: CCNCC
inchikey: HPNMFZURTQLUMO-UHFFFAOYSA-N
alternative label: di-ethylamine
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
notation: DC2yAe

2-undecanon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 112-12-9
formula: C11H22O
inchi: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
iupac name: Undecan-2-one @en
pubchem: 8163
smiles: CCCCCCCCCC(=O)C
inchikey: KYWIYKKSMDLRDC-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 2C11on

2,5-furaandion
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 224641-15-0
cas number: 224641-13-8
cas number: 108-31-6
cas number: 24937-72-2
cas number: 224641-16-1
cas number: 184288-31-1
formula: C4H2O3
inchi: InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
iupac name: furan-2,5-dione @en
pubchem: 7923
smiles: C1=CC(=O)OC1=O
inchikey: FPYJFEHAWHCUMM-UHFFFAOYSA-N
broader: CHEMONTID_0002223
in scheme: Conceptschema Chemische Stoffen
notation: 25furDon

N-ethyl-3-methylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 102-27-2
formula: C9H13N
inchi: InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
iupac name: N-Ethyl-3-methylaniline @en
pubchem: 7603
smiles: CCNC1=CC=CC(=C1)C
inchikey: GUYMMHOQXYZMJQ-UHFFFAOYSA-N
alternative label: n-ethyl-3-methylaniline
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: NC2y3C1yAn

mono-(2-ethylhexyl)-hexaandioaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 4337-65-9
formula: C14H26O4
inchi: InChI=1S/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)
iupac name: 6-(2-ethylhexoxy)-6-oxohexanoic acid @en
pubchem: 20342
smiles: CCCCC(CC)COC(=O)CCCCC(=O)O
inchikey: MBGYSHXGENGTBP-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: M2C2yC6yC6aD

flunitrazepam
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 1622-62-4
formula: C16H12FN3O3
inchi: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
iupac name: 5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one @en
pubchem: 3380
smiles: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
inchikey: PPTYJKAXVCCBDU-UHFFFAOYSA-N
broader: CHEMONTID_0004097
in scheme: Conceptschema Chemische Stoffen
notation: fluntzpm

3-chloor-4-methylaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 95-74-9
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
iupac name: 3-Chloro-4-methylaniline @en
pubchem: 7255
smiles: CC1=C(C=C(C=C1)N)Cl
inchikey: RQKFYFNZSHWXAW-UHFFFAOYSA-N
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 3Cl4C1yAn

bis(2-ethylhexyl)ester 1,3-benzeendicarbonzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 137-89-3
formula: C24H38O4
inchi: InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3
iupac name: bis(2-ethylhexyl) benzene-1,3-dicarboxylate @en
pubchem: 8733
inchikey: WXZOXVVKILCOPG-UHFFFAOYSA-N
broader: CHEMONTID_0004010
in scheme: Conceptschema Chemische Stoffen
notation: bis2C2yC6yEs

1,2,2-trichloorfluorethaan (fc-131)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 134237-34-6
cas number: 359-28-4
formula: C2H2Cl3F
inchi: InChI=1S/C2H2Cl3F/c3-1(4)2(5)6/h1-2H
iupac name: 1,1,2-TRICHLORO-2-FLUOROETHANE @en
pubchem: 9666
smiles: C(C(Cl)Cl)(F)Cl
inchikey: ORMSTDJYMPIZAO-UHFFFAOYSA-N
alternative label: 1,2,2-trichloorfluorethaan (Fc-131)
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK131

1,1,2,2-tetrachloorethaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 79-34-5
formula: C2H2Cl4
inchi: InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H
iupac name: 1,1,2,2-Tetrachloroethane @en
pubchem: 6591
smiles: C(C(Cl)Cl)(Cl)Cl
inchikey: QPFMBZIOSGYJDE-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 1122T4ClC2a

hexylbenzeen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1077-16-3
cas number: 1320-01-0
cas number: 74296-34-7
formula: C12H18
inchi: InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
iupac name: Hexylbenzene @en
pubchem: 14109
smiles: CCCCCCC1=CC=CC=C1
inchikey: LTEQMZWBSYACLV-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: C6yBen

dimethylglycol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 5341-95-7
cas number: 513-85-9
formula: C4H10O2
inchi: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
iupac name: (2R,3S)-butane-2,3-diol @en
pubchem: 220010
smiles: CC(C(C)O)O
inchikey: OWBTYPJTUOEWEK-ZXZARUISSA-N
broader: CHEMONTID_0002467
in scheme: Conceptschema Chemische Stoffen
notation: 23C4aDol

dithianon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 11096-35-8
cas number: 95591-89-2
cas number: 3347-22-6
formula: C14H4N2O2S2
inchi: InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H
iupac name: 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile @en
pubchem: 18771
smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N
inchikey: PYZSVQVRHDXQSL-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: Dtann

difenzoquatmethylsulfaat
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 43222-48-6
formula: C18H20N2O4S
inchi: InChI=1S/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
iupac name: 1,2-dimethyl-3,5-diphenylpyrazol-1-ium; methyl sulfate @en
pubchem: 39424
smiles: CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]
inchikey: XQEMNBNCQVQXMO-UHFFFAOYSA-M
broader: CHEMONTID_0002019
in scheme: Conceptschema Chemische Stoffen
notation: DfzqtC1ySO4

1,5,9-cyclododecatrieen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 4904-61-4
cas number: 2765-29-9
formula: C12H18
inchi: InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8+
iupac name: (1Z,5E,9Z)-cyclododeca-1,5,9-triene @en
pubchem: 5357179
smiles: C1CC=CCCC=CCCC=C1
inchikey: ZOLLIQAKMYWTBR-UDIJVJLMSA-N
broader: CHEMONTID_0002840
in scheme: Conceptschema Chemische Stoffen
notation: 159ccddcten

cesium 134
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13967-70-9
formula: Cs
inchi: InChI=1S/Cs/i1+1
iupac name: cesium-134 @en
pubchem: 6335485
smiles: [Cs]
inchikey: TVFDJXOCXUVLDH-OUBTZVSYSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Cs134

2-methylthiobenzothiazool
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 615-22-5
cas number: 64036-43-7
cas number: 31621-01-9
formula: C8H7NS2
inchi: InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
iupac name: 2-methylsulfanyl-1,3-benzothiazole @en
pubchem: 11989
smiles: CSC1=NC2=CC=CC=C2S1
inchikey: UTBVIMLZIRIFFR-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 2C1ytobztazl

fenothrin
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53528-32-8
cas number: 26002-80-2
cas number: 73170-79-3
formula: C23H26O3
inchi: InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3
iupac name: [3-(phenoxy)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
pubchem: 4767
inchikey: SBNFWQZLDJGRLK-UHFFFAOYSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: fentn

2,5-diethoxyaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 94-85-9
formula: C10H15NO2
inchi: InChI=1S/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3
iupac name: 2,5-Diethoxyaniline @en
pubchem: 66756
smiles: CCOC1=CC(=C(C=C1)OCC)N
inchikey: XPKFTIYOZUJAGA-UHFFFAOYSA-N
broader: CHEMONTID_0004670
in scheme: Conceptschema Chemische Stoffen
notation: 25DC2oxAn

3,3'-dimethylbenzidine dihydrofluoride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 41766-75-0
formula: C14H18F2N2
inchi: InChI=1S/C14H16N2.2FH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H
iupac name: 4-(4-amino-3-methylphenyl)-2-methylaniline dihydrofluoride @en
pubchem: 61994
smiles: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F
inchikey: AMCOFRYQNUYHDX-UHFFFAOYSA-N
broader: CHEMONTID_0003956
in scheme: Conceptschema Chemische Stoffen
notation: 33DC1ybzdnDH

3,4,5-trimethacarb
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 2686-99-9
formula: C11H15NO2
inchi: InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)
iupac name: (3,4,5-trimethylphenyl) N-methylcarbamate @en
pubchem: 17592
smiles: CC1=CC(=CC(=C1C)C)OC(=O)NC
inchikey: AUQAUAIUNJIIEP-UHFFFAOYSA-N
alternative label: trimethacarb
broader: CHEMONTID_0004742
in scheme: Conceptschema Chemische Stoffen
notation: Tmtcb

2,3,3,3-tetrafluor-2-(heptafluorpropoxy)propionzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 13252-13-6
cas number: 26099-32-1
formula: C6HF11O3
inchi: InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)
iupac name: 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid @en
pubchem: 114481
inchikey: CSEBNABAWMZWIF-UHFFFAOYSA-N
alternative label: perfluor-2-propoxypropaanzuur (hfpo-da)
alternative label: perfluor-2-propoxypropaanzuur
alternative label: 2,3,3,3-tetrafluor-2(heptafluorpropoxy)propionzuur
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: HFPO-DA
notation: FRD-903

methylnaftylaceetamide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 85-07-4
formula: C13H13NO
inchi: InChI=1S/C13H13NO/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H2,14,15)
iupac name: 2-(2-methylnaphthalen-1-yl)acetamide @en
pubchem: 66550
smiles: CC1=C(C2=CC=CC=C2C=C1)CC(=O)N
inchikey: AFOVBPMGZPJPKX-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: C1yntacAd

ziram
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 14459-91-7
cas number: 137-30-4
cas number: 8059-74-3
cas number: 14460-20-9
cas number: 50933-80-7
cas number: 12773-04-5
cas number: 98391-07-2
cas number: 55870-88-7
cas number: 12768-61-5
cas number: 111922-61-3
cas number: 31300-71-7
cas number: 8070-07-3
cas number: 19488-81-4
cas number: 17125-91-6
formula: C6H12N2S4Zn
inchi: InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
iupac name: zinc dimethylaminomethanedithioate @en
pubchem: 8722
smiles: CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]
inchikey: DUBNHZYBDBBJHD-UHFFFAOYSA-L
broader: CHEMONTID_0003997
in scheme: Conceptschema Chemische Stoffen
notation: zirm

1,2-dichloorethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
comment: VLAR III (D3)
comment: VLAR II Art. 5.7.1.4/Art. 5.7.7.1
cas number: 107-06-2
cas number: 52399-93-6
cas number: 7572-29-4
formula: C2H4Cl2
inchi: InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
iupac name: ['1,2-dichloroethane', '1,2-dichloroethyne'] @en
pubchem: 11
smiles: C(CCl)Cl
inchikey: WSLDOOZREJYCGB-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 002
alternative label: 1,2-dichloorethaan (edc)
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 12DClC2a

ritalinezuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 19395-41-6
formula: C13H17NO2
inchi: InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
iupac name: 2-phenyl-2-piperidin-2-ylacetic acid @en
pubchem: 86863
smiles: C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
inchikey: INGSNVSERUZOAK-UHFFFAOYSA-N
broader: CHEMONTID_0003899
in scheme: Conceptschema Chemische Stoffen
notation: ritlnzr

desvenlafaxine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 93413-62-8
formula: C16H25NO2
inchi: InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
iupac name: 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenol @en
pubchem: 125017
smiles: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O
inchikey: KYYIDSXMWOZKMP-UHFFFAOYSA-N
alternative label: o-desmethylvenlafaxine
broader: CHEMONTID_0002647
in scheme: Conceptschema Chemische Stoffen
notation: desvlfxne

glycidol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 556-52-5
cas number: 98913-54-3
cas number: 61915-27-3
formula: C3H6O2
inchi: InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
iupac name: oxiran-2-ylmethanol @en
pubchem: 11164
smiles: C1C(O1)CO
inchikey: CTKINSOISVBQLD-UHFFFAOYSA-N
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
notation: glycdl

2,4-dinitrotolueen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 25321-14-6
cas number: 121-14-2
cas number: 1326-41-6
cas number: 185376-54-9
formula: C7H6N2O4
inchi: InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
iupac name: ['1-Methyl-2,4-dinitrobenzene', 'N,N-dihydroxy-4-methyl-3-nitroaniline'] @en
pubchem: 8461
smiles: CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
inchikey: RMBFBMJGBANMMK-UHFFFAOYSA-N
broader: CHEMONTID_0003969
in scheme: Conceptschema Chemische Stoffen
notation: 24DNO2Tol

cis-1,2-dibroometheen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 25429-23-6
cas number: 590-12-5
cas number: 31389-08-9
formula: C2H2Br2
inchi: InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1+
iupac name: ['(E)-1,2-Dibromoethene', '1,2-Dibromoethene'] @en
pubchem: 637929
smiles: C(=CBr)Br
inchikey: UWTUEMKLYAGTNQ-OWOJBTEDSA-N
broader: CHEMONTID_0002864
in scheme: Conceptschema Chemische Stoffen
notation: c12DBrC2e

lisinopril
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 83915-83-7
cas number: 76547-98-3
cas number: 82009-35-6
formula: C21H35N3O7
inchi: InChI=1S/C21H31N3O5.2H2O/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;;/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);2*1H2/t16-,17-,18-;;/m0../s1
iupac name: (2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid dihydrate @en
pubchem: 5362118
inchikey: CZRQXSDBMCMPNJ-ZUIPZQNBSA-N
broader: CHEMONTID_0004830
in scheme: Conceptschema Chemische Stoffen
notation: lisnpl

dinonylftalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 84-76-4
cas number: 68515-45-7
cas number: 68648-92-0
formula: C26H42O4
inchi: InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
iupac name: dinonyl benzene-1,2-dicarboxylate @en
pubchem: 6787
inchikey: DROMNWUQASBTFM-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DC9yFt

1,1-dichloorethaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 75-34-3
formula: C2H4Cl2
inchi: InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3
iupac name: 1,1-DICHLOROETHANE @en
pubchem: 6365
smiles: CC(Cl)Cl
inchikey: SCYULBFZEHDVBN-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 11DClC2a

N,N-dimethylaniline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 168153-21-7
cas number: 121-69-7
cas number: 162744-63-0
cas number: 171745-67-8
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
iupac name: N,N-dimethylaniline @en
pubchem: 949
smiles: CN(C)C1=CC=CC=C1
inchikey: JLTDJTHDQAWBAV-UHFFFAOYSA-N
alternative label: n,n-dimethylaniline
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen
notation: NNDC1yAn

2,2’-iminodiethanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAREM II bijlage 4.4.2
cas number: 8033-73-6
cas number: 61791-46-6
cas number: 61791-44-4
cas number: 111-42-2
formula: C4H11NO2
inchi: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
iupac name: 2-(2-Hydroxyethylamino)ethanol @en
pubchem: 8113
smiles: C(CO)NCCO
inchikey: ZBCBWPMODOFKDW-UHFFFAOYSA-N
alternative label: diethanolamine
broader: CHEMONTID_0001897
in scheme: Conceptschema Chemische Stoffen
notation: DC2olAe

4-ethyltolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 622-96-8
formula: C9H12
inchi: InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
iupac name: 1-Ethyl-4-methylbenzene @en
pubchem: 12160
smiles: CCC1=CC=C(C=C1)C
inchikey: JRLPEMVDPFPYPJ-UHFFFAOYSA-N
broader: CHEMONTID_0001091
in scheme: Conceptschema Chemische Stoffen
notation: 4C2yTol

kaliumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7447-40-7
cas number: 126415-35-8
cas number: 12599-00-7
cas number: 59217-68-4
formula: ClK
inchi: InChI=1S/ClH.K/h1H;/q;+1/p-1
iupac name: Potassium chloride @en
pubchem: 4873
smiles: [Cl-].[K+]
inchikey: WCUXLLCKKVVCTQ-UHFFFAOYSA-M
broader: CHEMONTID_0000563
in scheme: Conceptschema Chemische Stoffen
notation: KCl

nonanal
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 75718-12-6
cas number: 124-19-6
formula: C9H18O
inchi: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
iupac name: Nonanal @en
pubchem: 31289
smiles: CCCCCCCCC=O
inchikey: GYHFUZHODSMOHU-UHFFFAOYSA-N
broader: CHEMONTID_0002229
in scheme: Conceptschema Chemische Stoffen
notation: C9al

broommethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 74-83-9
formula: CH3Br
inchi: InChI=1S/CH3Br/c1-2/h1H3
iupac name: Bromomethane @en
pubchem: 6323
smiles: CBr
inchikey: GZUXJHMPEANEGY-UHFFFAOYSA-N
broader: CHEMONTID_0004157
in scheme: Conceptschema Chemische Stoffen
notation: BrC1a

n-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 80475-32-7
formula: C13H17F13N2O3S
iupac name: 3-dimethylamino-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)propan-1-amine oxide @en
pubchem: 157337
inchikey: WQNQTJSLPDZSDK-UHFFFAOYSA-N
alternative label: N-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide
broader: CHEMONTID_0000270
in scheme: Conceptschema Chemische Stoffen
notation: Capstone A (DPOSA)

3-pentanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 96-22-0
formula: C5H10O
inchi: InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
iupac name: pentan-3-one @en
pubchem: 7288
smiles: CCC(=O)CC
inchikey: FDPIMTJIUBPUKL-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 3C5on

testosteron cypionaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 58-20-8
formula: C27H40O3
inchi: InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1
iupac name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate @en
pubchem: 441404
inchikey: HPFVBGJFAYZEBE-ZLQWOROUSA-N
broader: CHEMONTID_0001691
in scheme: Conceptschema Chemische Stoffen
notation: testtrcpont

2,5-dimethylhexaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 592-13-2
formula: C8H18
inchi: InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3
iupac name: 2,5-Dimethylhexane @en
pubchem: 11592
smiles: CC(C)CCC(C)C
inchikey: UWNADWZGEHDQAB-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 25DC1yC6a

3-nitrofenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 554-84-7
formula: C6H5NO3
inchi: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
iupac name: 3-Nitrophenol @en
pubchem: 11137
smiles: C1=CC(=CC(=C1)O)[N+](=O)[O-]
inchikey: RTZZCYNQPHTPPL-UHFFFAOYSA-N
broader: CHEMONTID_0000141
in scheme: Conceptschema Chemische Stoffen
notation: 3NO2Fol

amitrol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 29212-82-6
cas number: 11121-00-9
cas number: 16681-74-6
cas number: 6051-75-8
cas number: 65312-61-0
cas number: 155-25-9
cas number: 30922-30-6
cas number: 61-82-5
formula: C2H4N4
inchi: InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
iupac name: 2H-1,2,4-triazol-3-amine @en
pubchem: 1639
smiles: C1=NNC(=N1)N
inchikey: KLSJWNVTNUYHDU-UHFFFAOYSA-N
broader: CHEMONTID_0000099
in scheme: Conceptschema Chemische Stoffen
notation: amtl

isopropylanthranilamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 30391-89-0
formula: C10H14N2O
inchi: InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3,(H,12,13)
iupac name: 2-amino-N-propan-2-ylbenzamide @en
pubchem: 94411
smiles: CC(C)NC(=O)C1=CC=CC=C1N
inchikey: FWQYJOPJMIEKHZ-UHFFFAOYSA-N
broader: CHEMONTID_0004413
in scheme: Conceptschema Chemische Stoffen
notation: iC3yantnlAd

triethylcitraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 77-93-0
formula: C12H20O7
inchi: InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
iupac name: 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate @en
pubchem: 6506
smiles: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
inchikey: DOOTYTYQINUNNV-UHFFFAOYSA-N
broader: CHEMONTID_0001986
in scheme: Conceptschema Chemische Stoffen
notation: TC2ycitt

oxaalzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 216451-38-6
cas number: 144-62-7
cas number: 2847-15-6
cas number: 97993-78-7
cas number: 63504-28-9
formula: C2H2O4
inchi: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
iupac name: oxalic acid @en
pubchem: 971
smiles: C(=O)(C(=O)O)O
inchikey: MUBZPKHOEPUJKR-UHFFFAOYSA-N
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: oxzr

zink
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 12793-53-2
cas number: 195161-85-4
cas number: 15176-26-8
cas number: 7440-66-6
cas number: 19229-95-9
cas number: 199281-21-5
formula: Zn
inchi: InChI=1S/Zn
iupac name: Zinc @en
pubchem: 23994
smiles: [Zn]
inchikey: HCHKCACWOHOZIP-UHFFFAOYSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Zn

2,3,5-trichloorfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 933-78-8
formula: C6H3Cl3O
inchi: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
iupac name: 2,3,5-TRICHLOROPHENOL @en
pubchem: 13619
smiles: C1=C(C=C(C(=C1O)Cl)Cl)Cl
inchikey: WWGQHTJIFOQAOC-UHFFFAOYSA-N
broader: CHEMONTID_0002771
in scheme: Conceptschema Chemische Stoffen
notation: 235TClFol

3-chloortolueen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 108-41-8
formula: C7H7Cl
inchi: InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
iupac name: 1-Chloro-3-methylbenzene @en
pubchem: 7931
smiles: CC1=CC(=CC=C1)Cl
inchikey: OSOUNOBYRMOXQQ-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: 3ClTol

2-chloor-1,4-dimethylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 95-72-7
cas number: 35442-53-6
formula: C8H9Cl
inchi: InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
iupac name: 2-Chloro-1,4-dimethylbenzene @en
pubchem: 32883
smiles: CC1=CC(=C(C=C1)C)Cl
inchikey: KZNRNQGTVRTDPN-UHFFFAOYSA-N
broader: CHEMONTID_0004211
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl14C1yBen

diethyleenglycoldinitraat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 693-21-0
cas number: 66492-77-1
formula: C4H8N2O7
inchi: InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2
iupac name: 2-(2-nitrooxyethoxy)ethyl nitrate @en
pubchem: 61198
smiles: C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]
inchikey: LYAGTVMJGHTIDH-UHFFFAOYSA-N
broader: CHEMONTID_0004091
in scheme: Conceptschema Chemische Stoffen
notation: DC2yegcDNO3

1-tert-butoxy-2-ethoxyethaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 51422-54-9
formula: C8H18O2
inchi: InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3
iupac name: 2-(2-Ethoxyethoxy)-2-methylpropane @en
pubchem: 40007
smiles: CCOCCOC(C)(C)C
inchikey: NUNQKTCKURIZQX-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 1tC4ox2C2oxC

tereftaalzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 211863-90-0
cas number: 100-21-0
formula: C8H6O4
inchi: InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
iupac name: Terephthalic acid @en
pubchem: 7489
smiles: C1=CC(=CC=C1C(=O)O)C(=O)O
inchikey: KKEYFWRCBNTPAC-UHFFFAOYSA-N
broader: CHEMONTID_0001108
in scheme: Conceptschema Chemische Stoffen
notation: terfzr

2,2',3,3',4,5'-hexachloorbifenyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 52663-66-8
formula: C12H4Cl6
inchi: InChI=1S/C12H4Cl6/c13-5-3-7(10(16)9(15)4-5)6-1-2-8(14)12(18)11(6)17/h1-4H
iupac name: 1,2,3-trichloro-4-(2,3,5-trichlorophenyl)benzene @en
pubchem: 40473
inchikey: YFSLABAYQDPWPF-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB130

2-methylhexaan
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 31394-54-4
cas number: 591-76-4
formula: C7H16
inchi: InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
iupac name: 2-Methylhexane @en
pubchem: 11582
smiles: CCCCC(C)C
inchikey: GXDHCNNESPLIKD-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yC6a

ethyldipropylthiocarbamaat
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 759-94-4
formula: C9H19NOS
inchi: InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3
iupac name: S-ethyl (dipropylamino)methanethioate @en
pubchem: 12968
smiles: CCCN(CCC)C(=O)SCC
inchikey: GUVLYNGULCJVDO-UHFFFAOYSA-N
broader: CHEMONTID_0001368
in scheme: Conceptschema Chemische Stoffen
notation: EPTC

9-hexadeceenzuur
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 10030-73-6
cas number: 2091-29-4
formula: C16H30O2
inchi: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
iupac name: ['(E)-hexadec-9-enoic acid', 'hexadec-9-enoic acid'] @en
pubchem: 5282745
smiles: CCCCCCC=CCCCCCCCC(=O)O
inchikey: SECPZKHBENQXJG-BQYQJAHWSA-N
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
notation: 9C16ezr

sulfaclozine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 27890-59-1
cas number: 102-65-8
formula: C10H9ClN4O2S
inchi: InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
iupac name: 4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide @en
pubchem: 66890
smiles: C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl
inchikey: QKLPUVXBJHRFQZ-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen

beryllium 7
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13966-02-4
formula: Be
inchi: InChI=1S/Be/i1-2
iupac name: beryllium-7 @en
pubchem: 6335489
smiles: [Be]
inchikey: ATBAMAFKBVZNFJ-YPZZEJLDSA-N
broader: CHEMONTID_0000428
in scheme: Conceptschema Chemische Stoffen
notation: Be7

3,4,5-trichlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 634-91-3
formula: C6H4Cl3N
inchi: InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
iupac name: 3,4,5-TRICHLOROANILINE @en
pubchem: 12469
smiles: C1=C(C=C(C(=C1Cl)Cl)Cl)N
inchikey: XOGYQVITULCUGU-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 345TClAn

2,2,6,6-tetrachloorcyclohexanon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3776-30-5
formula: C6H6Cl4O
inchi: InChI=1S/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H2
iupac name: 2,2,6,6-Tetrachlorocyclohexan-1-one @en
pubchem: 77407
smiles: C1CC(C(=O)C(C1)(Cl)Cl)(Cl)Cl
inchikey: QCAHVKJGHYVLIS-UHFFFAOYSA-N
broader: CHEMONTID_0004809
in scheme: Conceptschema Chemische Stoffen
notation: 2266T4ClccC6

3,4-dinitrotolueen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 610-39-9
formula: C7H6N2O4
inchi: InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
iupac name: 4-Methyl-1,2-dinitrobenzene @en
pubchem: 11883
smiles: CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
inchikey: INYDMNPNDHRJQJ-UHFFFAOYSA-N
broader: CHEMONTID_0003969
in scheme: Conceptschema Chemische Stoffen
notation: 34DNO2Tol

fenoxaprop-p
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 73519-55-8
cas number: 108093-88-5
cas number: 95617-09-7
cas number: 113158-40-0
formula: C16H12ClNO5
inchi: InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)
iupac name: 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid @en
pubchem: 86134
inchikey: MPPOHAUSNPTFAJ-UHFFFAOYSA-N
alternative label: fenoxaprop-P
broader: CHEMONTID_0004674
in scheme: Conceptschema Chemische Stoffen
notation: fenoxppP

2-methyl-3-pentanon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 565-69-5
formula: C6H12O
inchi: InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
iupac name: 2-Methylpentan-3-one @en
pubchem: 11265
smiles: CCC(=O)C(C)C
inchikey: HYTRYEXINDDXJK-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y3C5on

acesulfame k
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 55589-62-3
cas number: 33665-90-6
formula: C4H4KNO4S
inchi: InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6,7,8);/q;+1/p-1
iupac name: ['potassium 6-methyl-2,2-dioxooxathiazin-4-olate', 'potassium 6-methyl-2,2-dioxo-1-oxa-2$l^{6}-thia-3-azanidacyclohex-5-en-4-one'] @en
pubchem: 45489782
smiles: CC1=CC(=O)N=S(=O)(O1)[O-].[K+]
inchikey: JLEKLYQXZHJOTQ-UHFFFAOYSA-M
alternative label: acesulfaam
alternative label: acesulfame K
broader: CHEMONTID_0000265
in scheme: Conceptschema Chemische Stoffen
notation: acsfm
notation: acsfmeK

undeceenzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1333-28-4
cas number: 112-38-9
formula: C11H20O2
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
iupac name: Undec-10-enoic acid @en
pubchem: 5634
smiles: C=CCCCCCCCCC(=O)O
inchikey: FRPZMMHWLSIFAZ-UHFFFAOYSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: C11ezr

zuurstof
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7782-44-7
cas number: 80217-98-7
cas number: 58238-79-2
cas number: 1338-93-8
cas number: 80937-33-3
cas number: 12185-07-8
cas number: 14797-70-7
formula: O2
inchi: InChI=1S/O2/c1-2
iupac name: Molecular oxygen @en
pubchem: 977
smiles: O=O
inchikey: MYMOFIZGZYHOMD-UHFFFAOYSA-N
is referenced by: LUC II 001
alternative label: Zuurstof (O2)
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen
notation: O2

1-propeen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 115-07-1
cas number: 33004-01-2
cas number: 676-63-1
formula: C3H6
inchi: InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
iupac name: prop-1-ene @en
pubchem: 8252
smiles: CC=C
inchikey: QQONPFPTGQHPMA-UHFFFAOYSA-N
broader: CHEMONTID_0004476
in scheme: Conceptschema Chemische Stoffen
notation: 1C3e

fluquinconazool
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 136426-54-5
formula: C16H8Cl2FN5O
inchi: InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H
iupac name: 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one @en
pubchem: 86417
inchikey: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
broader: CHEMONTID_0002314
in scheme: Conceptschema Chemische Stoffen
notation: fluqcnzl

sorbinezuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 22500-92-1
cas number: 91751-55-2
cas number: 110-44-1
cas number: 5309-56-8
formula: C6H8O2
inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
iupac name: ['Hexa-2,4-dienoic acid', '(4E)-hexa-2,4-dienoic acid'] @en
pubchem: 643460
smiles: CC=CC=CC(=O)O
inchikey: WSWCOQWTEOXDQX-MQQKCMAXSA-N
broader: CHEMONTID_0003086
in scheme: Conceptschema Chemische Stoffen
notation: sorbnzr

methiocarb
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 2032-65-7
cas number: 716-16-5
formula: C11H15NO2S
inchi: InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
iupac name: (3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate @en
pubchem: 16248
smiles: CC1=CC(=CC(=C1SC)C)OC(=O)NC
inchikey: YFBPRJGDJKVWAH-UHFFFAOYSA-N
broader: CHEMONTID_0004742
in scheme: Conceptschema Chemische Stoffen
notation: metocb

fenthion-sulfon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 3761-42-0
formula: C10H15O5PS2
inchi: InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3
iupac name: dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidenephosphorane @en
pubchem: 19578
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)(=O)C
inchikey: ZDHYERRNXRANLI-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: fentosfn

cholesta-5,22-dien-3-beta-ol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 34347-28-9
cas number: 136897-21-7
cas number: 137760-64-6
cas number: 6810-14-6
cas number: 70755-51-0
cas number: 566-89-2
formula: C27H44O
inchi: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6+/t19-,21+,22+,23?,24+,25+,26+,27-/m1/s1
iupac name: (3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol @en
pubchem: 6441561
inchikey: UPGTYLFCVNHBTN-XMLQVSDQSA-N
broader: CHEMONTID_0001469
in scheme: Conceptschema Chemische Stoffen
notation: chol522Den3b

posaconazol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 171228-49-2
formula: C37H42F2N8O4
inchi: InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1
iupac name: 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one @en
pubchem: 468595
inchikey: RAGOYPUPXAKGKH-XAKZXMRKSA-N
broader: CHEMONTID_0001984
in scheme: Conceptschema Chemische Stoffen
notation: poscnzl

didecyldimethylammoniumbromide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 20256-56-8
cas number: 2390-68-3
formula: C22H48BrN
inchi: InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
iupac name: didecyl-dimethylazanium bromide @en
pubchem: 16957
smiles: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]
inchikey: UMGXUWVIJIQANV-UHFFFAOYSA-M
alternative label: didecyldimethylammonium
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: DDMAB

aluminium (driewaardig)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 22537-23-1
formula: Al+3
inchi: InChI=1S/Al/q+3
iupac name: aluminum(+3) cation @en
pubchem: 104727
smiles: [Al+3]
inchikey: REDXJYDRNCIFBQ-UHFFFAOYSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
notation: AlIII

2,2',3,3',4,4',5,5',6-nonachloorbifenyl
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 53742-07-7
cas number: 40186-72-9
cas number: 55684-91-8
formula: C12HCl9
inchi: InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene @en
pubchem: 38411
inchikey: JFIMDKGRGPNPRQ-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB206

3-decylacroleine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7069-41-2
cas number: 7774-82-5
formula: C13H24O
inchi: InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+
iupac name: ['tridec-2-enal', '(E)-tridec-2-enal'] @en
pubchem: 5283363
smiles: CCCCCCCCCCC=CC=O
inchikey: VMUNAKQXJLHODT-VAWYXSNFSA-N
broader: CHEMONTID_0000298
in scheme: Conceptschema Chemische Stoffen
notation: 3C10yacline

alfa-pineen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 103657-08-5
cas number: 72510-05-5
cas number: 25766-18-1
cas number: 2437-95-8
cas number: 53569-35-0
cas number: 67762-73-6
cas number: 80-56-8
cas number: 56833-58-0
cas number: 57762-87-5
cas number: 68411-25-6
cas number: 50815-61-7
cas number: 39423-40-0
cas number: 39388-04-0
cas number: 102640-64-2
formula: C10H16
inchi: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
iupac name: 4,7,7-trimethylbicyclo[3.1.1]hept-3-ene @en
pubchem: 6654
smiles: CC1=CCC2CC1C2(C)C
inchikey: GRWFGVWFFZKLTI-UHFFFAOYSA-N
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
notation: apnn

gadolinium 153
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 14276-65-4
formula: Gd
inchi: InChI=1S/Gd/i1-4
iupac name: gadolinium-153 @en
pubchem: 161049
smiles: [Gd]
inchikey: UIWYJDYFSGRHKR-AHCXROLUSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Gd153

C.I. Acid Red 114
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 6459-94-5
cas number: 25317-45-7
formula: C37H28N4Na2O10S3
iupac name: disodium (8E)-8-[[2-methyl-4-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]diazenylphenyl]phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate @en
pubchem: 6321393
inchikey: PVLKQJLDEXCKNY-JYLPYTDFSA-L
alternative label: c.i. acid red 114
broader: CHEMONTID_0003370
in scheme: Conceptschema Chemische Stoffen
notation: ciard114

celiprolol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 56980-93-9
formula: C20H33N3O4
inchi: InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
iupac name: 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea @en
pubchem: 2663
inchikey: JOATXPAWOHTVSZ-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: celpll

ethyl-2-methylbenzeensulfonamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1077-56-1
formula: C9H13NO2S
inchi: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
iupac name: N-Ethyl-2-methylbenzenesulfonamide @en
pubchem: 14110
smiles: CCNS(=O)(=O)C1=CC=CC=C1C
inchikey: NATWUQFQFMZVMT-UHFFFAOYSA-N
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: C2y2C1yBensf

profenofos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 61287-51-2
cas number: 61230-42-0
cas number: 81116-98-5
cas number: 41198-08-7
cas number: 81123-19-5
formula: C11H15BrClO3PS
iupac name: 4-bromo-2-chloro-1-(ethoxy-propylsulfanylphosphoryl)oxybenzene @en
pubchem: 38779
smiles: CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl
inchikey: QYMMJNLHFKGANY-UHFFFAOYSA-N
broader: CHEMONTID_0004742
in scheme: Conceptschema Chemische Stoffen
notation: profnfs

benzo(a)anthraceen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II (D2) 'benzo(a)antraceen'
cas number: 56-55-3
formula: C18H12
inchi: InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
iupac name: Benzo[a]anthracene @en
pubchem: 5954
smiles: C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32
inchikey: DXBHBZVCASKNBY-UHFFFAOYSA-N
is referenced by: LUC VI 001
alternative label: benz(a)anthraceen
alternative label: benzo(a)antra-ceen
alternative label: benzo(a)antraceen
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen
notation: BaA

tetramethylbutaandinitril
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 3333-52-6
formula: C8H12N2
inchi: InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3
iupac name: 2,2,3,3-Tetramethylbutanedinitrile @en
pubchem: 18745
smiles: CC(C)(C#N)C(C)(C)C#N
inchikey: ZVQXQPNJHRNGID-UHFFFAOYSA-N
broader: CHEMONTID_0000362
in scheme: Conceptschema Chemische Stoffen
notation: T4C1yC4aDntl

cyclohexanol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 108-93-0
formula: C6H12O
inchi: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
iupac name: Cyclohexanol @en
pubchem: 7966
smiles: C1CCC(CC1)O
inchikey: HPXRVTGHNJAIIH-UHFFFAOYSA-N
broader: CHEMONTID_0002647
in scheme: Conceptschema Chemische Stoffen
notation: cycC6ol

2,2',3,5',6-pentachloorbifenyl
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 38379-99-6
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H
iupac name: 1,2,4-trichloro-3-(2,5-dichlorophenyl)benzene @en
pubchem: 38012
inchikey: GXNNLIMMEXHBKV-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB95

lambda-cyhalothrin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 91465-08-6
formula: C23H19ClF3NO3
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate @en
pubchem: 6435500
inchikey: ZXQYGBMAQZUVMI-QQDHXZELSA-N
broader: CHEMONTID_0001461
in scheme: Conceptschema Chemische Stoffen
notation: lcyhltn

leptofos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 73307-66-1
cas number: 73307-67-2
cas number: 73270-49-2
cas number: 21609-90-5
formula: C13H10BrCl2O2PS
iupac name: (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane @en
pubchem: 30709
inchikey: CVRALZAYCYJELZ-UHFFFAOYSA-N
broader: CHEMONTID_0004767
in scheme: Conceptschema Chemische Stoffen
notation: leptfs

tebutam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 35256-85-0
formula: C15H23NO
inchi: InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
iupac name: 2,2-dimethyl-N-(phenylmethyl)-N-propan-2-ylpropanamide @en
pubchem: 92299
smiles: CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C
inchikey: RJKCKKDSSSRYCB-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: tebtm

2,3,7,8-tetrachloordibenzofuraan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 51207-31-9
formula: C12H4Cl4O
inchi: InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H
iupac name: 2,3,7,8-TETRACHLORODIBENZOFURAN @en
pubchem: 39929
smiles: C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl
inchikey: KSMVNVHUTQZITP-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 2,3,7,8-tetrachloordibenzofuran
alternative label: 2,3,7,8-tetrachloordibenzofuraan (tecdf)
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF83

benzamide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 27208-38-4
cas number: 55-21-0
formula: C7H7NO
inchi: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
iupac name: Benzamide @en
pubchem: 2331
smiles: C1=CC=C(C=C1)C(=O)N
inchikey: KXDAEFPNCMNJSK-UHFFFAOYSA-N
broader: CHEMONTID_0000178
in scheme: Conceptschema Chemische Stoffen
notation: benzAd

1,2,4,5-tetramethylbenzeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 95-93-2
formula: C10H14
inchi: InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
iupac name: 1,2,4,5-Tetramethylbenzene @en
pubchem: 7269
smiles: CC1=CC(=C(C=C1C)C)C
inchikey: SQNZJJAZBFDUTD-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 1245T4C1yBen

4-terpineol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 28219-82-1
cas number: 1336-05-6
cas number: 562-74-3
formula: C10H18O
inchi: InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
iupac name: 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol @en
pubchem: 11230
smiles: CC1=CCC(CC1)(C(C)C)O
inchikey: WRYLYDPHFGVWKC-UHFFFAOYSA-N
broader: CHEMONTID_0001401
in scheme: Conceptschema Chemische Stoffen
notation: 4terpnol

meclozine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 569-65-3
formula: C25H27ClN2
inchi: InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
iupac name: 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine @en
pubchem: 4034
inchikey: OCJYIGYOJCODJL-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: meczne

heptachloornaftaleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 26444-37-1
cas number: 58863-15-3
cas number: 32241-08-0
formula: C10HCl7
inchi: InChI=1S/C10HCl7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1H
iupac name: 1,2,3,4,5,6,8-Heptachloronaphthalene @en
pubchem: 36093
inchikey: QYEGXUUXWMKHHS-UHFFFAOYSA-N
broader: CHEMONTID_0004794
in scheme: Conceptschema Chemische Stoffen
notation: HpClNaf

som 4-nonylfenol-isomeren (vertakt)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 84852-15-3
cas number: 24518-48-7
formula: C15H24O
inchi: InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3
iupac name: 4-(7-methyloctyl)phenol @en
pubchem: 338733
smiles: CC(C)CCCCCCC1=CC=C(C=C1)O
inchikey: JSFITYFUKSFPBZ-UHFFFAOYSA-N
broader: CHEMONTID_0004646
in scheme: Conceptschema Chemische Stoffen
notation: s4C9yFol

diepoxybutaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 298-18-0
cas number: 1464-53-5
formula: C4H6O2
inchi: InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
iupac name: 2-(oxiran-2-yl)oxirane @en
pubchem: 11254
smiles: C1C(O1)C2CO2
inchikey: ZFIVKAOQEXOYFY-UHFFFAOYSA-N
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
notation: DepOxC4a

oxamide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 4745-68-0
cas number: 471-46-5
formula: C2H4N2O2
inchi: InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
iupac name: OXAMIDE @en
pubchem: 10113
smiles: C(=O)(C(=O)N)N
inchikey: YIKSCQDJHCMVMK-UHFFFAOYSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: OaAd

mepiquatchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 24307-26-4
cas number: 15302-91-7
formula: C7H16ClN
inchi: InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
iupac name: 1,1-dimethylpiperidin-1-ium chloride @en
pubchem: 62781
smiles: C[N+]1(CCCCC1)C.[Cl-]
inchikey: VHOVSQVSAAQANU-UHFFFAOYSA-M
alternative label: mepiquat
broader: CHEMONTID_0000195
in scheme: Conceptschema Chemische Stoffen
notation: mepqat
notation: mepqCl

atraton
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1610-17-9
formula: C9H17N5O
inchi: InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
iupac name: N'-ethyl-6-methoxy-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
pubchem: 15359
smiles: CCNC1=NC(=NC(=N1)OC)NC(C)C
inchikey: PXWUKZGIHQRDHL-UHFFFAOYSA-N
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
notation: attn

perfluoroctaansulfonzuur (pfos)
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 132324-11-9
cas number: 1763-23-1
formula: C8HF17O3S
inchi: InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid @en
pubchem: 74483
inchikey: YFSUTJLHUFNCNZ-UHFFFAOYSA-N
alternative label: perfluor-n-octaansulfonzuur
alternative label: perfluoroctaansul-fonzuur en zijn derivaten (pfos)
alternative label: perfluoroctaansulfonzuur (lineair)
broader: CHEMONTID_0003960
in scheme: Conceptschema Chemische Stoffen
notation: PFOS

diisoundecylftalaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 96507-86-7
formula: C30H50O4
inchi: InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3
iupac name: bis(9-methyldecyl) benzene-1,2-dicarboxylate @en
pubchem: 175686
inchikey: LGBAGUMSAPUZPU-UHFFFAOYSA-N
alternative label: di-isoundecylftalaat (mix van isomeren)
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DiC11yFt

norfludiazepam
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2886-65-9
formula: C15H10ClFN2O
inchi: InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
iupac name: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one @en
pubchem: 4540
inchikey: UVCOILFBWYKHHB-UHFFFAOYSA-N
broader: CHEMONTID_0004097
in scheme: Conceptschema Chemische Stoffen
notation: norfDazpm

4-methoxy-2-nitroaniline
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 96-96-8
formula: C7H8N2O3
inchi: InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
iupac name: 4-Methoxy-2-nitroaniline @en
pubchem: 66793
smiles: COC1=CC(=C(C=C1)N)[N+](=O)[O-]
inchikey: QFMJFXFXQAFGBO-UHFFFAOYSA-N
broader: CHEMONTID_0004671
in scheme: Conceptschema Chemische Stoffen
notation: 4C1ox2NO2An

2,3,7,8-tetrachloordibenzo-p-dioxine
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
cas number: 56795-67-6
cas number: 1746-01-6
formula: C12H4Cl4O2
inchi: InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
iupac name: 2,3,7,8-tetrachlorooxanthrene @en
pubchem: 15625
inchikey: HGUFODBRKLSHSI-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 2,3,7,8-tetrachloordibenzodioxine
alternative label: 2,3,7,8-tetrachloordibenzodioxine (tcdd)
broader: CHEMONTID_0000420
in scheme: Conceptschema Chemische Stoffen
notation: PCDD48

2,2-dimethoxybutaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3453-99-4
formula: C6H14O2
inchi: InChI=1S/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3
iupac name: 2,2-Dimethoxybutane @en
pubchem: 137941
smiles: CCC(C)(OC)OC
inchikey: OXQHJIGWZNIQDS-UHFFFAOYSA-N
broader: CHEMONTID_0004472
in scheme: Conceptschema Chemische Stoffen
notation: 22DC1oxC4a

pentadecanal
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2765-11-9
formula: C15H30O
inchi: InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
iupac name: Pentadecanal @en
pubchem: 17697
smiles: CCCCCCCCCCCCCCC=O
inchikey: XGQJZNCFDLXSIJ-UHFFFAOYSA-N
broader: CHEMONTID_0000298
in scheme: Conceptschema Chemische Stoffen
notation: C15al

benzeensulfonanilide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1678-25-7
formula: C12H11NO2S
inchi: InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H
iupac name: N-Phenylbenzenesulfonamide @en
pubchem: 74296
smiles: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2
inchikey: XAUGWFWQVYXATQ-UHFFFAOYSA-N
broader: CHEMONTID_0000038
in scheme: Conceptschema Chemische Stoffen
notation: Bensfanlde

endosulfanether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3369-52-6
formula: C9H6Cl6O
inchi: InChI=1S/C9H6Cl6O/c10-5-6(11)8(13)4-2-16-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
iupac name: 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene @en
pubchem: 97768
inchikey: CKPWHXBGVRURFU-UHFFFAOYSA-N
broader: CHEMONTID_0002648
in scheme: Conceptschema Chemische Stoffen
notation: endsfetr

zink 65
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 13982-39-3
formula: Zn
inchi: InChI=1S/Zn/i1+0
iupac name: zinc-65 @en
pubchem: 91574
smiles: [Zn]
inchikey: HCHKCACWOHOZIP-IGMARMGPSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Zn65

4-chloorfenyl fenylsulfon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 80-00-2
cas number: 8012-45-1
formula: C12H9ClO2S
inchi: InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H
iupac name: 1-chloro-4-phenylsulfonylbenzene @en
pubchem: 6621
smiles: C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl
inchikey: OFCFYWOKHPOXKF-UHFFFAOYSA-N
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
notation: 4ClFyFysfn

glutaaraldehyde
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 37245-61-7
cas number: 107950-89-0
cas number: 111-30-8
cas number: 79215-57-9
cas number: 29257-65-6
formula: C5H8O2
inchi: InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
iupac name: Pentanedial @en
pubchem: 3485
smiles: C(CC=O)CC=O
inchikey: SXRSQZLOMIGNAQ-UHFFFAOYSA-N
broader: CHEMONTID_0002434
in scheme: Conceptschema Chemische Stoffen
notation: glutAh

tin
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'
comment: VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'
comment: VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'
comment: VLAR III (D3, diverse art) 'Sn'
cas number: 7440-31-5
formula: Sn
inchi: InChI=1S/Sn
iupac name: TIN @en
pubchem: 5352426
smiles: [Sn]
inchikey: ATJFFYVFTNAWJD-UHFFFAOYSA-N
is referenced by: LUC III 010
is referenced by: LUC I 002
alternative label: Tin (Sn)
broader: CHEMONTID_0000427
definition: tin en tinverbindingen, uitgedrukt als tin (Sn)
in scheme: Conceptschema Chemische Stoffen
notation: Sn

isofenfos
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 25311-71-1
cas number: 103982-07-6
cas number: 61711-63-5
cas number: 103982-06-5
cas number: 52907-24-1
formula: C15H24NO4PS
inchi: InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)
iupac name: propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate @en
pubchem: 32872
smiles: CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C
inchikey: HOQADATXFBOEGG-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: iffs

tolylfluanide
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 731-27-1
formula: C10H13Cl2FN2O2S2
iupac name: N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline @en
pubchem: 12898
inchikey: HYVWIQDYBVKITD-UHFFFAOYSA-N
broader: CHEMONTID_0000038
in scheme: Conceptschema Chemische Stoffen
notation: tolfande

guaiene
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 88-84-6
cas number: 34766-41-1
formula: C15H24
inchi: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3
iupac name: 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene @en
pubchem: 6949
smiles: CC1CCC(=C(C)C)CC2=C1CCC2C
inchikey: GIBQERSGRNPMEH-UHFFFAOYSA-N
broader: CHEMONTID_0001550
in scheme: Conceptschema Chemische Stoffen
notation: guaiene

2-methyl-2-butanol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 75-85-4
formula: C5H12O
inchi: InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
iupac name: 2-Methylbutan-2-ol @en
pubchem: 6405
smiles: CCC(C)(C)O
inchikey: MSXVEPNJUHWQHW-UHFFFAOYSA-N
broader: CHEMONTID_0001670
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y2C4ol

isazofos
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 65357-77-9
cas number: 42509-80-8
cas number: 57425-06-6
formula: C9H17ClN3O3PS
iupac name: (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane @en
pubchem: 39223
smiles: CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C
inchikey: XRHGWAGWAHHFLF-UHFFFAOYSA-N
broader: CHEMONTID_0004623
in scheme: Conceptschema Chemische Stoffen
notation: iszfs

trans-geranylaceton
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 689-67-8
cas number: 3796-70-1
cas number: 68228-05-7
formula: C13H22O
inchi: InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
iupac name: ['(5E)-6,10-dimethylundeca-5,9-dien-2-one', '6,10-Dimethylundeca-5,9-dien-2-one'] @en
pubchem: 1549778
smiles: CC(=CCCC(=CCCC(=O)C)C)C
inchikey: HNZUNIKWNYHEJJ-FMIVXFBMSA-N
broader: CHEMONTID_0001127
in scheme: Conceptschema Chemische Stoffen
notation: tganactn

1,2,3,4,7,9-hexachloordibenzofuraan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 91538-84-0
formula: C12H2Cl6O
inchi: InChI=1S/C12H2Cl6O/c13-3-1-4(14)6-5(2-3)19-12-7(6)8(15)9(16)10(17)11(12)18/h1-2H
iupac name: 1,2,3,4,7,9-HEXACHLORODIBENZOFURAN @en
pubchem: 56262
inchikey: BKIXWRBZCQEZAQ-UHFFFAOYSA-N
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF119

2-morfoline(thio)benzothiazool
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 40860-79-5
cas number: 31440-29-6
cas number: 108251-60-1
cas number: 102-77-2
cas number: 35309-99-0
formula: C11H12N2OS2
inchi: InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2
iupac name: 2-morpholin-4-ylsulfanyl-1,3-benzothiazole @en
pubchem: 7619
smiles: C1COCCN1SC2=NC3=CC=CC=C3S2
inchikey: MHKLKWCYGIBEQF-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 2mflntobztaz

1-indanon
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 30286-23-8
cas number: 83-33-0
formula: C9H8O
inchi: InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
iupac name: 2,3-dihydroinden-1-one @en
pubchem: 6735
smiles: C1CC(=O)C2=CC=CC=C21
inchikey: QNXSIUBBGPHDDE-UHFFFAOYSA-N
broader: CHEMONTID_0001151
in scheme: Conceptschema Chemische Stoffen
notation: 1indnn

1,2-dichloorbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
cas number: 95-50-1
cas number: 25321-22-6
cas number: 24634-92-2
formula: C6H4Cl2
inchi: InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
iupac name: 1,2-Dichlorobenzene @en
pubchem: 7239
smiles: C1=CC=C(C(=C1)Cl)Cl
inchikey: RFFLAFLAYFXFSW-UHFFFAOYSA-N
is referenced by: LUC IV 011
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 12DClBen

1-aminodecaan
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2016-57-1
formula: C10H23N
inchi: InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
iupac name: decan-1-amine @en
pubchem: 8916
smiles: CCCCCCCCCCN
inchikey: MHZGKXUYDGKKIU-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: 1AoC10a

dijodium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 24503-90-0
cas number: 8012-81-5
cas number: 7553-56-2
cas number: 8031-47-8
cas number: 8012-85-9
formula: I2
inchi: InChI=1S/I2/c1-2
iupac name: Molecular iodine @en
pubchem: 807
smiles: II
inchikey: PNDPGZBMCMUPRI-UHFFFAOYSA-N
broader: CHEMONTID_0000432
in scheme: Conceptschema Chemische Stoffen
notation: I2

metalaxyl metaboliet cga 62826
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 87764-37-2
formula: C14H19NO4
inchi: InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m0/s1
iupac name: (2S)-2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoic acid @en
pubchem: 159151
smiles: CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)COC
inchikey: ZRIKZVLHMGYCIR-NSHDSACASA-N
alternative label: metalaxyl metaboliet CGA 62826
broader: CHEMONTID_0004148
in scheme: Conceptschema Chemische Stoffen
notation: mlxlMC62826

ethyl dimethylcarbamaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 687-48-9
formula: C5H11NO2
inchi: InChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3
iupac name: Ethyl N,N-dimethylcarbamate @en
pubchem: 12709
smiles: CCOC(=O)N(C)C
inchikey: SUDHEDJJFGYYPL-UHFFFAOYSA-N
broader: CHEMONTID_0001162
in scheme: Conceptschema Chemische Stoffen
notation: C2yDC1ycbmt

2-methylindol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-20-5
formula: C9H9N
inchi: InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
iupac name: 2-Methyl-1H-indole @en
pubchem: 7224
smiles: CC1=CC2=CC=CC=C2N1
inchikey: BHNHHSOHWZKFOX-UHFFFAOYSA-N
broader: CHEMONTID_0002497
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yidl

methadon
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 297-88-1
cas number: 76-99-3
cas number: 125-58-6
cas number: 5653-80-5
formula: C21H27NO
inchi: InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
iupac name: 6-dimethylamino-4,4-di(phenyl)heptan-3-one @en
pubchem: 4095
inchikey: USSIQXCVUWKGNF-UHFFFAOYSA-N
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: metdn

benzyldimethylhexadecylammoniumchloride
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 122-18-9
cas number: 10328-34-4
cas number: 89004-36-4
cas number: 60484-28-8
formula: C25H46ClN
inchi: InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1
iupac name: benzyl-hexadecyl-dimethylazanium chloride @en
pubchem: 31202
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
inchikey: SXPWTBGAZSPLHA-UHFFFAOYSA-M
broader: CHEMONTID_0003977
in scheme: Conceptschema Chemische Stoffen
notation: benzDC1yC16y

chloortrifluormethaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 75-72-9
cas number: 185009-43-2
formula: CClF3
inchi: InChI=1S/CClF3/c2-1(3,4)5
iupac name: chloro-trifluoromethane @en
pubchem: 6392
smiles: C(F)(F)(F)Cl
inchikey: AFYPFACVUDMOHA-UHFFFAOYSA-N
broader: CHEMONTID_0004521
in scheme: Conceptschema Chemische Stoffen
notation: CFK13

ozon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 74087-86-8
cas number: 10028-15-6
formula: O3
inchi: InChI=1S/O3/c1-3-2
iupac name: OZONE @en
pubchem: 24823
smiles: [O-][O+]=O
inchikey: CBENFWSGALASAD-UHFFFAOYSA-N
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen
notation: ozn

sulfadimidine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 57-68-1
formula: C12H14N4O2S
inchi: InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
iupac name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide @en
pubchem: 5327
inchikey: ASWVTGNCAZCNNR-UHFFFAOYSA-N
alternative label: sulfamethazine
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: sulfdmdne

perfluorethylethanol 4:2
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2043-47-2
formula: C6H5F9O
inchi: InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
iupac name: 3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol @en
pubchem: 74883
smiles: C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
inchikey: JCMNMOBHVPONLD-UHFFFAOYSA-N
broader: CHEMONTID_0003967
in scheme: Conceptschema Chemische Stoffen
notation: 42FTOH

2-methylindeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 2177-47-1
formula: C10H10
inchi: InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3
iupac name: 2-METHYL-1H-INDENE @en
pubchem: 16587
smiles: CC1=CC2=CC=CC=C2C1
inchikey: YSAXEHWHSLANOM-UHFFFAOYSA-N
broader: CHEMONTID_0000021
in scheme: Conceptschema Chemische Stoffen
notation: 2C1idn

5-methyltetralin
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 2809-64-5
formula: C11H14
inchi: InChI=1S/C11H14/c1-9-5-4-7-10-6-2-3-8-11(9)10/h4-5,7H,2-3,6,8H2,1H3
iupac name: 5-methyl-1,2,3,4-tetrahydronaphthalene @en
pubchem: 17768
smiles: CC1=C2CCCCC2=CC=C1
inchikey: YXOVIGZJPGLNGM-UHFFFAOYSA-N
broader: CHEMONTID_0000048
in scheme: Conceptschema Chemische Stoffen
notation: 5C1yT4lne

sulfamethoxazol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 723-46-6
cas number: 129378-89-8
formula: C10H11N3O3S
inchi: InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
iupac name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide @en
pubchem: 5329
smiles: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
inchikey: JLKIGFTWXXRPMT-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: sulfmtoazl

ijzer(III)chloride
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 12178-83-5
cas number: 130622-20-7
cas number: 7705-08-0
cas number: 12040-57-2
formula: Cl3Fe
inchi: InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3
iupac name: ['trichloroiron', 'iron(+3) cation trichloride'] @en
pubchem: 24380
smiles: Cl[Fe](Cl)Cl
inchikey: RBTARNINKXHZNM-UHFFFAOYSA-K
alternative label: ijzer(iii)chloride
broader: CHEMONTID_0000588
in scheme: Conceptschema Chemische Stoffen
notation: FeCl3

3-amino-1-propeen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 71550-12-4
cas number: 107-11-9
cas number: 30551-89-4
formula: C3H7N
inchi: InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
iupac name: prop-2-en-1-amine @en
pubchem: 7853
smiles: C=CCN
inchikey: VVJKKWFAADXIJK-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: 3Ao1C3e

4,5-dichloor-3H-1,2-dithiool-3-on
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1192-52-5
formula: C3Cl2OS2
inchi: InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6
iupac name: 4,5-dichlorodithiol-3-one @en
pubchem: 14503
smiles: C1(=C(SSC1=O)Cl)Cl
inchikey: QGSRKGWCQSATCL-UHFFFAOYSA-N
alternative label: 4,5-dichloor-3h-1,2-dithiool-3-on
broader: CHEMONTID_0001030
in scheme: Conceptschema Chemische Stoffen
notation: 45DCl3H12Dto

2,3-dichloorfenylisocyanaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 41195-90-8
cas number: 25550-53-2
formula: C7H3Cl2NO
inchi: InChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
iupac name: 1,2-Dichloro-3-isocyanatobenzene @en
pubchem: 33050
smiles: C1=CC(=C(C(=C1)Cl)Cl)N=C=O
inchikey: FYWJWWMKCARWQG-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: 23DClFyiCN

chrysotiel (witte asbest)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 61076-97-9
cas number: 12001-29-5
formula: H4Mg3O9Si2
inchi: InChI=1S/3Mg.2HO4Si.H2O/c;;;2*1-5(2,3)4;/h;;;2*1H;1H2/q3*+2;2*-3;
iupac name: trimagnesium hydroxy-trioxidosilane hydrate @en
pubchem: 25477
smiles: O.O[Si]([O-])([O-])[O-].O[Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
inchikey: CWBIFDGMOSWLRQ-UHFFFAOYSA-N
broader: CHEMONTID_0000921
in scheme: Conceptschema Chemische Stoffen
notation: chrystl

francium
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7440-73-5
formula: Fr
inchi: InChI=1S/Fr
iupac name: FRANCIUM @en
pubchem: 6328145
smiles: [Fr]
inchikey: KLMCZVJOEAUDNE-UHFFFAOYSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Fr

1,2-benzothiazool-3-on
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 54392-14-2
cas number: 75037-67-1
cas number: 40991-37-5
cas number: 101964-01-6
cas number: 2634-33-5
formula: C7H5NOS
inchi: InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
iupac name: 1,2-benzothiazol-3-one @en
pubchem: 17520
smiles: C1=CC=C2C(=C1)C(=O)NS2
inchikey: DMSMPAJRVJJAGA-UHFFFAOYSA-N
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
notation: 12benztaz3o

alfa,alfa-dichloortolueen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 98-87-3
cas number: 29797-40-8
cas number: 37808-21-2
formula: C7H6Cl2
inchi: InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
iupac name: Dichloromethylbenzene @en
pubchem: 7411
smiles: C1=CC=C(C=C1)C(Cl)Cl
inchikey: CAHQGWAXKLQREW-UHFFFAOYSA-N
alternative label: alfa-alfa-dichloortolueen (benzalchloride)
alternative label: alfa-alfa-dichloortolueen
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: aaDClTol

4-(1-hydroxy-1-methylethyl)-acetofenon
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 54549-72-3
formula: C11H14O2
inchi: InChI=1S/C11H14O2/c1-8(12)9-4-6-10(7-5-9)11(2,3)13/h4-7,13H,1-3H3
iupac name: 1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone @en
pubchem: 41122
smiles: CC(=O)C1=CC=C(C=C1)C(C)(C)O
inchikey: KWWWFTBWCKTBQI-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: 41HOx1C1yC2y

ethoxychine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 63301-91-7
cas number: 91-53-2
cas number: 8047-04-9
cas number: 8047-14-1
formula: C14H19NO
inchi: InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
iupac name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline @en
pubchem: 3293
smiles: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C
inchikey: DECIPOUIJURFOJ-UHFFFAOYSA-N
broader: CHEMONTID_0001716
in scheme: Conceptschema Chemische Stoffen
notation: etxcne

benzylbutylftalaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 58128-78-2
cas number: 85-68-7
formula: C19H20O4
inchi: InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
iupac name: O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate @en
pubchem: 2347
smiles: CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2
inchikey: IRIAEXORFWYRCZ-UHFFFAOYSA-N
alternative label: butylbenzylftalaat
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: benzC4yFt

rotenon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 12679-58-2
cas number: 83-79-4
formula: C23H22O6
inchi: InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
iupac name: (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one @en
pubchem: 6758
inchikey: JUVIOZPCNVVQFO-HBGVWJBISA-N
broader: CHEMONTID_0003528
in scheme: Conceptschema Chemische Stoffen
notation: rotnn

2-propylfenol
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 644-35-9
formula: C9H12O
inchi: InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
iupac name: 2-Propylphenol @en
pubchem: 12570
smiles: CCCC1=CC=CC=C1O
inchikey: LCHYEKKJCUJAKN-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 2C3yFol

stikstofmonoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 2.5.3 'NO'
comment: VLAR II bijl. 4.4.2
cas number: 14332-28-6
cas number: 90880-94-7
cas number: 51005-20-0
cas number: 51005-21-1
cas number: 53851-19-7
cas number: 10102-43-9
cas number: 90452-29-2
formula: HNO
inchi: InChI=1S/HNO/c1-2/h1H
iupac name: nitroxyl @en
pubchem: 945
smiles: N=O
inchikey: ODUCDPQEXGNKDN-UHFFFAOYSA-N
is referenced by: LUC II 001
alternative label: stikstofmonoxide (NO)
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen
notation: NO

pentanol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 71-41-0
formula: C5H12O
inchi: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
iupac name: Pentan-1-ol @en
pubchem: 6276
smiles: CCCCCO
inchikey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
notation: C5ol

ethylamine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 43031-21-6
cas number: 85404-22-4
cas number: 75-04-7
cas number: 85404-16-6
formula: C2H7N
inchi: InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
iupac name: Ethanamine @en
pubchem: 6341
smiles: CCN
inchikey: QUSNBJAOOMFDIB-UHFFFAOYSA-N
broader: CHEMONTID_0000469
in scheme: Conceptschema Chemische Stoffen
notation: C2yAe

polytetramethyletherglycol
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR II bijl. 4.4.2
cas number: 77392-70-2
cas number: 24979-97-3
cas number: 109-99-9
formula: C4H8O
inchi: InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
iupac name: Oxolane @en
pubchem: 8028
smiles: C1CCOC1
inchikey: WYURNTSHIVDZCO-UHFFFAOYSA-N
is referenced by: LUC IV 011
is referenced by: LUC IV 000
is referenced by: LUC IV 008
alternative label: tetrahydrofuraan
broader: CHEMONTID_0002648
in scheme: Conceptschema Chemische Stoffen
notation: PTMEG
notation: T4Hfrn

2-chloornaftaleen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 91-58-7
formula: C10H7Cl
inchi: InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
iupac name: 2-CHLORONAPHTHALENE @en
pubchem: 7056
smiles: C1=CC=C2C=C(C=CC2=C1)Cl
inchikey: CGYGETOMCSJHJU-UHFFFAOYSA-N
broader: CHEMONTID_0004794
in scheme: Conceptschema Chemische Stoffen
notation: 2ClNaf

seleen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3, diverse art) 'Se'
comment: VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'
comment: VLAR III (D3) 'seleenverbindingen, uitgedrukt als Se'
cas number: 95788-45-7
cas number: 12641-96-2
cas number: 12733-65-2
cas number: 11133-88-3
cas number: 51882-60-1
cas number: 50954-17-1
cas number: 12640-29-8
cas number: 7782-49-2
cas number: 11125-23-8
cas number: 37276-15-6
cas number: 37368-02-8
cas number: 12640-30-1
cas number: 37256-19-2
cas number: 37258-85-8
cas number: 7783-07-5
formula: Se
inchi: InChI=1S/Se
iupac name: Selenium @en
pubchem: 6326970
smiles: [Se]
inchikey: BUGBHKTXTAQXES-UHFFFAOYSA-N
is referenced by: LUC I 002
is referenced by: LUC III 010
is referenced by: WAC III B 010
is referenced by: CMA 2 I B
is referenced by: CMA 2 I B.6
is referenced by: CMA 2 I B.1
is referenced by: WAC III B 012
alternative label: Seleen (Se)
broader: CHEMONTID_0000434
definition: seleen en seleenverbindingen, uitgedrukt als lood (Pb)
in scheme: Conceptschema Chemische Stoffen
notation: Se

3-chlooraniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 108-42-9
formula: C6H6ClN
inchi: InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
iupac name: 3-Chloroaniline @en
pubchem: 7932
smiles: C1=CC(=CC(=C1)Cl)N
inchikey: PNPCRKVUWYDDST-UHFFFAOYSA-N
alternative label: m-chlooraniline
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 3ClAn

som dodecylfenol-isomeren
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 27193-86-8
formula: C18H30O
inchi: InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3
iupac name: 2-Dodecylphenol @en
pubchem: 171144
smiles: CCCCCCCCCCCCC1=CC=CC=C1O
inchikey: CYEJMVLDXAUOPN-UHFFFAOYSA-N
broader: CHEMONTID_0004647
in scheme: Conceptschema Chemische Stoffen
notation: sC12yFol

2-nitropropaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 104306-46-9
cas number: 79-46-9
formula: C3H7NO2
inchi: InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
iupac name: ['2-nitropropane', 'N-oxido-N-propan-2-ylhydroxylamine', 'N,N-dihydroxypropan-2-amine'] @en
pubchem: 398
smiles: CC(C)[N+](=O)[O-]
inchikey: FGLBSLMDCBOPQK-UHFFFAOYSA-N
broader: CHEMONTID_0004117
in scheme: Conceptschema Chemische Stoffen
notation: 2NO2C3a

3,5-dimethylaniline
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 108-69-0
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3
iupac name: 3,5-Dimethylaniline @en
pubchem: 7949
smiles: CC1=CC(=CC(=C1)N)C
inchikey: MKARNSWMMBGSHX-UHFFFAOYSA-N
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: 35DC1yAn

2-methylnaftaleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 7419-61-6
cas number: 91-57-6
formula: C11H10
inchi: InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
iupac name: 2-Methylnaphthalene @en
pubchem: 7055
smiles: CC1=CC2=CC=CC=C2C=C1
inchikey: QIMMUPPBPVKWKM-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 2C1yNaf

dichloor(methylsulfonyl)methaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 37557-96-3
formula: C2H4Cl2O2S
inchi: InChI=1S/C2H4Cl2O2S/c1-7(5,6)2(3)4/h2H,1H3
iupac name: dichloromethylsulfonylmethane @en
pubchem: 101258
smiles: CS(=O)(=O)C(Cl)Cl
inchikey: QMMFBGBMARGVFC-UHFFFAOYSA-N
broader: CHEMONTID_0000505
in scheme: Conceptschema Chemische Stoffen
notation: DClC1ysfnC1a

bisfenol A diglycidylether
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 116161-20-7
cas number: 170962-54-6
cas number: 500008-19-5
cas number: 47424-12-4
cas number: 1675-54-3
cas number: 85101-00-4
formula: C21H24O4
inchi: InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3
iupac name: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane @en
pubchem: 2286
inchikey: LCFVJGUPQDGYKZ-UHFFFAOYSA-N
alternative label: bisfenol a diglycidylether
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: bisFolADgcdE

nitralin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 4726-14-1
formula: C13H19N3O6S
inchi: InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
iupac name: 4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline @en
pubchem: 20848
smiles: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]
inchikey: UMKANAFDOQQUKE-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: nitln

diethofencarb
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 87130-20-9
formula: C14H21NO4
inchi: InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
iupac name: propan-2-yl N-(3,4-diethoxyphenyl)carbamate @en
pubchem: 91742
smiles: CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC
inchikey: LNJNFVJKDJYTEU-UHFFFAOYSA-N
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
notation: Detfcb

1,2,3,7,8-pentachloordibenzofuran
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
cas number: 57117-41-6
formula: C12H3Cl5O
inchi: InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H
iupac name: 1,2,3,7,8-PENTACHLORODIBENZOFURAN @en
pubchem: 42138
inchikey: SBMIVUVRFPGOEB-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: 1,2,3,7,8-pentachloordibenzofuraan
alternative label: 1,2,3,7,8-pentachloordibenzofuraan (pecdf)
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF94

dimethylether
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
cas number: 157621-61-9
cas number: 115-10-6
formula: C2H6O
inchi: InChI=1S/C2H6O/c1-3-2/h1-2H3
iupac name: Methoxymethane @en
pubchem: 8254
smiles: COC
inchikey: LCGLNKUTAGEVQW-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: DC1yEtr

4-isopropylfenol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 99-89-8
formula: C9H12O
inchi: InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
iupac name: 4-propan-2-ylphenol @en
pubchem: 7465
smiles: CC(C)C1=CC=C(C=C1)O
inchikey: YQUQWHNMBPIWGK-UHFFFAOYSA-N
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: 4iC3yFol

tribroomazijnzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 75-96-7
formula: C2Br3O2-
inchi: InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1
iupac name: 2,2,2-tribromoacetate @en
pubchem: 6414
smiles: C(=O)(C(Br)(Br)Br)[O-]
inchikey: QIONYIKHPASLHO-UHFFFAOYSA-M
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: TBrHAc

2-chloor-6-methylfenol
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 87-64-9
formula: C7H7ClO
inchi: InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
iupac name: 2-Chloro-6-methylphenol @en
pubchem: 6898
smiles: CC1=C(C(=CC=C1)Cl)O
inchikey: YPNZJHFXFVLXSE-UHFFFAOYSA-N
broader: CHEMONTID_0001274
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl6C1yFol

1,2-diaminobenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-54-5
formula: C6H8N2
inchi: InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
iupac name: benzene-1,2-diamine @en
pubchem: 7243
smiles: C1=CC=C(C(=C1)N)N
inchikey: GEYOCULIXLDCMW-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 12DAoBen

3,4-dimethylaniline
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-64-7
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
iupac name: 3,4-Dimethylaniline @en
pubchem: 7248
smiles: CC1=C(C=C(C=C1)N)C
inchikey: DOLQYFPDPKPQSS-UHFFFAOYSA-N
broader: CHEMONTID_0004210
in scheme: Conceptschema Chemische Stoffen
notation: 34DC1yAn

quinclorac
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 113875-40-4
cas number: 84087-01-4
formula: C10H5Cl2NO2
inchi: InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)
iupac name: 3,7-Dichloroquinoline-8-carboxylic acid @en
pubchem: 91739
smiles: C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl
inchikey: FFSSWMQPCJRCRV-UHFFFAOYSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: quincrc

zolpidem
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 82626-48-0
formula: C19H21N3O
inchi: InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
iupac name: N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[3,2-a]pyridin-3-yl]acetamide @en
pubchem: 5732
inchikey: ZAFYATHCZYHLPB-UHFFFAOYSA-N
broader: CHEMONTID_0002327
in scheme: Conceptschema Chemische Stoffen
notation: zolpdm

n,n-dimethyldecanamide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14433-76-2
formula: C12H25NO
inchi: InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3
iupac name: N,N-Dimethyldecanamide @en
pubchem: 26690
smiles: CCCCCCCCCC(=O)N(C)C
inchikey: HNXNKTMIVROLTK-UHFFFAOYSA-N
alternative label: N,N-dimethyldecanamide
broader: CHEMONTID_0001096
in scheme: Conceptschema Chemische Stoffen
notation: NNDC1yC10aAd

prosulfuron
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 94125-34-5
formula: C15H16F3N5O4S
iupac name: 3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea @en
pubchem: 91751
inchikey: LTUNNEGNEKBSEH-UHFFFAOYSA-N
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: prosfrn

terbium 160
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 13981-29-8
formula: Tb
inchi: InChI=1S/Tb/i1+1
iupac name: terbium-160 @en
pubchem: 161008
smiles: [Tb]
inchikey: GZCRRIHWUXGPOV-OUBTZVSYSA-N
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
notation: Tb160

monochloorpentafluorethaan
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 12770-91-1
cas number: 76-15-3
formula: C2ClF5
inchi: InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8
iupac name: 1-Chloro-1,1,2,2,2-pentafluoroethane @en
pubchem: 6430
smiles: C(C(F)(F)Cl)(F)(F)F
inchikey: RFCAUADVODFSLZ-UHFFFAOYSA-N
broader: CHEMONTID_0004521
in scheme: Conceptschema Chemische Stoffen
notation: CFK115

n(4)-acetylsulfadiazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 127-74-2
cas number: 5572-57-6
formula: C12H12N4O3S
inchi: InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)
iupac name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide @en
pubchem: 64952
inchikey: NJIZUWGMNCUKGU-UHFFFAOYSA-N
alternative label: N(4)-acetylsulfadiazine
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: N4actsfdazne

sulfallaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 95-06-7
formula: C8H14ClNS2
inchi: InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3
iupac name: 2-chloroprop-2-enyl diethylaminomethanedithioate @en
pubchem: 7216
smiles: CCN(CC)C(=S)SCC(=C)Cl
inchikey: XJCLWVXTCRQIDI-UHFFFAOYSA-N
broader: CHEMONTID_0003936
in scheme: Conceptschema Chemische Stoffen
notation: sulfalt

oxymetazoline
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 1491-59-4
formula: C16H24N2O
inchi: InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
iupac name: 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol @en
pubchem: 4636
smiles: CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C
inchikey: WYWIFABBXFUGLM-UHFFFAOYSA-N
broader: CHEMONTID_0004212
in scheme: Conceptschema Chemische Stoffen
notation: Oxmtzlne

1,2-dichloorpropaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 68390-96-5
cas number: 78-87-5
cas number: 26198-63-0
formula: C3H6Cl2
inchi: InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
iupac name: 1,2-Dichloropropane @en
pubchem: 6564
smiles: CC(CCl)Cl
inchikey: KNKRKFALVUDBJE-UHFFFAOYSA-N
broader: CHEMONTID_0001516
in scheme: Conceptschema Chemische Stoffen
notation: 12DClC3a

koperoxide
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 185461-92-1
cas number: 1317-38-0
formula: CuO
inchi: InChI=1S/Cu.O
iupac name: oxocopper @en
pubchem: 14829
smiles: O=[Cu]
inchikey: QPLDLSVMHZLSFG-UHFFFAOYSA-N
broader: CHEMONTID_0000538
in scheme: Conceptschema Chemische Stoffen
notation: CuO

methidation
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 950-37-8
formula: C6H11N2O4PS3
inchi: InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3
pubchem: 13709
smiles: COC1=NN(C(=O)S1)CSP(=S)(OC)OC
inchikey: MEBQXILRKZHVCX-UHFFFAOYSA-N
alternative label: methidathion
broader: CHEMONTID_0004770
in scheme: Conceptschema Chemische Stoffen
notation: metdton

thorium 230
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 14269-63-7
formula: Th
inchi: InChI=1S/Th/i1-2
iupac name: thorium-230 @en
pubchem: 61723
smiles: [Th]
inchikey: ZSLUVFAKFWKJRC-YPZZEJLDSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Th230

ethaanthiol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 811-51-8
cas number: 75-08-1
formula: C2H6S
inchi: InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3
iupac name: Ethanethiol @en
pubchem: 6343
smiles: CCS
inchikey: DNJIEGIFACGWOD-UHFFFAOYSA-N
broader: CHEMONTID_0001212
in scheme: Conceptschema Chemische Stoffen
notation: C2atol

2-pentanon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 107-87-9
cas number: 27154-67-2
formula: C5H10O
inchi: InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
iupac name: Pentan-2-one @en
pubchem: 7895
smiles: CCCC(=O)C
inchikey: XNLICIUVMPYHGG-UHFFFAOYSA-N
broader: CHEMONTID_0000118
in scheme: Conceptschema Chemische Stoffen
notation: 2C5on

terbufos-sulfoxide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 10548-10-4
formula: C9H21O3PS3
inchi: InChI=1S/C9H21O3PS3/c1-6-11-13(14,12-7-2)15-8-16(10)9(3,4)5/h6-8H2,1-5H3
iupac name: tert-butylsulfinylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
pubchem: 25355
smiles: CCOP(=S)(OCC)SCS(=O)C(C)(C)C
inchikey: KKOYBOFPUBHPFO-UHFFFAOYSA-N
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
notation: terbfSO

tetracosaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 646-31-1
formula: C24H50
iupac name: Tetracosane @en
pubchem: 12592
smiles: CCCCCCCCCCCCCCCCCCCCCCCC
inchikey: POOSGDOYLQNASK-UHFFFAOYSA-N
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
notation: C24a

perfluor-3,5-dioxahexaanzuur
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 39492-88-1
formula: C4HF7O4
inchi: InChI=1S/C4HF7O4/c5-2(6,1(12)13)14-4(10,11)15-3(7,8)9/h(H,12,13)
iupac name: 2-[difluoro(trifluoromethoxy)methoxy]-2,2-difluoroacetic acid @en
pubchem: 138394354
smiles: C(=O)(C(OC(OC(F)(F)F)(F)F)(F)F)O
inchikey: GCSHTDCBGCURHU-UHFFFAOYSA-N
broader: CHEMONTID_0003000
in scheme: Conceptschema Chemische Stoffen
notation: PFO2HxA

3,6-dimethyloctaan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 15869-94-0
formula: C10H22
inchi: InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3
iupac name: 3,6-Dimethyloctane @en
pubchem: 85927
smiles: CCC(C)CCC(C)CC
inchikey: JEEQUUSFXYRPRK-UHFFFAOYSA-N
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
notation: 36DC1yC8a

1,2-difenoxyethaan
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 104-66-5
formula: C14H14O2
inchi: InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
iupac name: 2-(phenoxy)ethoxybenzene @en
pubchem: 7713
smiles: C1=CC=C(C=C1)OCCOC2=CC=CC=C2
inchikey: XCSGHNKDXGYELG-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: 12DfenOxC2a

flufenazine
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 47646-09-3
cas number: 69-23-8
formula: C22H26F3N3OS
inchi: InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
iupac name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol @en
pubchem: 3372
inchikey: PLDUPXSUYLZYBN-UHFFFAOYSA-N
broader: CHEMONTID_0000310
in scheme: Conceptschema Chemische Stoffen
notation: flufnzne

chlofentezin
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 74115-24-5
cas number: 88025-82-5
formula: C14H8Cl2N4
inchi: InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
iupac name: 3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine @en
pubchem: 73670
inchikey: UXADOQPNKNTIHB-UHFFFAOYSA-N
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
notation: chloftzn

furosemide
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 54-31-9
formula: C12H11ClN2O5S
iupac name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid @en
pubchem: 3440
inchikey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N
broader: CHEMONTID_0001925
in scheme: Conceptschema Chemische Stoffen
notation: fursmde

thiopental
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 59709-53-4
cas number: 76-75-5
formula: C11H18N2O2S
inchi: InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
iupac name: 5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione @en
pubchem: 1244
smiles: CCCC(C)C1(C(=O)NC(=NC1=O)S)CC
inchikey: IUJDSEJGGMCXSG-UHFFFAOYSA-N
broader: CHEMONTID_0001122
in scheme: Conceptschema Chemische Stoffen
notation: toptl

c8-c18-alkylbenzyldimethylammoniumchloride
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 965-32-2
cas number: 63449-41-2
formula: C19H34ClN
inchi: InChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
iupac name: benzyl-decyl-dimethylazanium chloride @en
pubchem: 13762
smiles: CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
inchikey: TTZLKXKJIMOHHG-UHFFFAOYSA-M
alternative label: C8-C18-alkylbenzyldimethylammoniumchloride
alternative label: benzyldimethyldecylammoniumchloride
broader: CHEMONTID_0003977
in scheme: Conceptschema Chemische Stoffen
notation: C8C18akbzDC1
notation: benzDC1yC10y

waterstofperoxide
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 218625-72-0
cas number: 66554-50-5
cas number: 8007-30-5
cas number: 37355-84-3
cas number: 7722-84-1
formula: H2O2
inchi: InChI=1S/H2O2/c1-2/h1-2H
iupac name: hydrogen peroxide @en
pubchem: 784
smiles: OO
inchikey: MHAJPDPJQMAIIY-UHFFFAOYSA-N
broader: CHEMONTID_0000434
in scheme: Conceptschema Chemische Stoffen
notation: H2O2

thiodicarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 78876-59-2
cas number: 72424-66-9
cas number: 65154-62-3
cas number: 59669-26-0
formula: C10H18N4O4S3
inchi: InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+
iupac name: (1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamate @en
pubchem: 9601227
smiles: CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC
inchikey: XDOTVMNBCQVZKG-MKICQXMISA-N
broader: CHEMONTID_0000364
in scheme: Conceptschema Chemische Stoffen
notation: toDcb

microcystine-lf
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 154037-70-4
formula: C52H71N7O12
inchi: InChI=1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+
iupac name: 18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-15-(phenylmethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid @en
pubchem: 6442256
inchikey: FEVBMCJUKWWWBT-BNIOFCGNSA-N
alternative label: microcystine-LF
broader: CHEMONTID_0002010
in scheme: Conceptschema Chemische Stoffen
notation: MC-LF

pethoxamid
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 106700-29-2
formula: C16H22ClNO2
inchi: InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3
iupac name: 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide @en
pubchem: 6450826
smiles: CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1
inchikey: CSWIKHNSBZVWNQ-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: petoamd

trans-chloorfenvinfos
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 18708-86-6
formula: C12H14Cl3O4P
inchi: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+
iupac name: [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate @en
pubchem: 5377791
inchikey: FSAVDKDHPDSCTO-XYOKQWHBSA-N
alternative label: beta-chloorfenvinfos
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: bClfvfs

2,6-diisopropylnaftaleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 24157-81-1
formula: C16H20
inchi: InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3
iupac name: 2,6-di(propan-2-yl)naphthalene @en
pubchem: 32241
smiles: CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C
inchikey: GWLLTEXUIOFAFE-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 26DiC3yNaf

secundair-butylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 5787-28-0
cas number: 68411-44-9
cas number: 36383-15-0
cas number: 135-98-8
formula: C10H14
inchi: InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
iupac name: butan-2-ylbenzene @en
pubchem: 8680
smiles: CCC(C)C1=CC=CC=C1
inchikey: ZJMWRROPUADPEA-UHFFFAOYSA-N
alternative label: sec-butylbenzeen
alternative label: butylbenzeen (vertakt en lineair)
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: secC4yBen
notation: sC4yBen

ciprofloxacine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 85721-33-1
formula: C17H18FN3O3
inchi: InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
iupac name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid @en
pubchem: 2764
inchikey: MYSWGUAQZAJSOK-UHFFFAOYSA-N
broader: CHEMONTID_0002552
in scheme: Conceptschema Chemische Stoffen
notation: cipfxcne

ammoniumhydroxide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 132103-60-7
cas number: 125888-87-1
cas number: 1336-21-6
cas number: 16393-49-0
formula: H5NO
inchi: InChI=1S/H3N.H2O/h1H3;1H2
iupac name: azanium hydroxide @en
pubchem: 14923
smiles: [NH4+].[OH-]
inchikey: VHUUQVKOLVNVRT-UHFFFAOYSA-N
broader: CHEMONTID_0001055
in scheme: Conceptschema Chemische Stoffen
notation: NH4OH

indolylboterzuur
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 65216-51-5
cas number: 111150-79-9
cas number: 133-32-4
formula: C12H13NO2
inchi: InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
iupac name: 4-(1H-indol-3-yl)butanoic acid @en
pubchem: 8617
smiles: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
inchikey: JTEDVYBZBROSJT-UHFFFAOYSA-N
broader: CHEMONTID_0004196
in scheme: Conceptschema Chemische Stoffen
notation: indlbtzr

fenamidon
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 161326-34-7
formula: C17H17N3OS
inchi: InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1
iupac name: (5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-(phenylamino)imidazol-4-one @en
pubchem: 10403199
inchikey: LMVPQMGRYSRMIW-KRWDZBQOSA-N
broader: CHEMONTID_0000060
in scheme: Conceptschema Chemische Stoffen
notation: fenmdn

benefin
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 1861-40-1
formula: C13H16F3N3O4
inchi: InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
iupac name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline @en
pubchem: 2319
smiles: CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
inchikey: SMDHCQAYESWHAE-UHFFFAOYSA-N
broader: CHEMONTID_0003968
in scheme: Conceptschema Chemische Stoffen
notation: benfn

2,4,5-trichlooraniline
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 636-30-6
formula: C6H4Cl3N
inchi: InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
iupac name: 2,4,5-Trichloroaniline @en
pubchem: 12487
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)N
inchikey: GUMCAKKKNKYFEB-UHFFFAOYSA-N
broader: CHEMONTID_0000284
in scheme: Conceptschema Chemische Stoffen
notation: 245TClAn

quizalofop-ethyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 76578-14-8
cas number: 89468-49-5
formula: C19H17ClN2O4
inchi: InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3
iupac name: ethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate @en
pubchem: 53518
inchikey: OSUHJPCHFDQAIT-UHFFFAOYSA-N
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: quizlfC2y

butylbenzeensulfonamide
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 3622-84-2
formula: C10H15NO2S
inchi: InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
iupac name: N-BUTYLBENZENESULFONAMIDE @en
pubchem: 19241
smiles: CCCCNS(=O)(=O)C1=CC=CC=C1
inchikey: IPRJXAGUEGOFGG-UHFFFAOYSA-N
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: C4yBensfAd

di-isooctylftalaat
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 41375-90-0
cas number: 25103-50-8
cas number: 27554-26-3
cas number: 1330-91-2
cas number: 71097-28-4
formula: C24H38O4
inchi: InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
iupac name: bis(6-methylheptyl) benzene-1,2-dicarboxylate @en
pubchem: 33934
inchikey: IJFPVINAQGWBRJ-UHFFFAOYSA-N
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
notation: DiC8yFt

tetracycline hydrochloride
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 64-75-5
formula: C22H25ClN2O8
inchi: InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3;1H/b20-14-;/t9-,10-,15-,21+,22-;/m0./s1
iupac name: (2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride @en
pubchem: 5282243
inchikey: DYQBMRZOOXYHIM-NCKOGSTASA-N
in scheme: Conceptschema Chemische Stoffen
notation: T4cycnHCl

2,2',4,4'-tetrabroomdifenylether (bde47)
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 5436-43-1
formula: C12H6Br4O
inchi: InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
iupac name: 2,4-dibromo-1-(2,4-dibromophenoxy)benzene @en
pubchem: 95170
smiles: C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br
inchikey: XYBSIYMGXVUVGY-UHFFFAOYSA-N
alternative label: 2,2',4,4'-tetrabroomdifenylether
alternative label: bde 47
broader: CHEMONTID_0001845
in scheme: Conceptschema Chemische Stoffen
notation: PBDE47

cadmium 109
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 14109-32-1
formula: Cd
inchi: InChI=1S/Cd/i1-3
iupac name: cadmium-109 @en
pubchem: 104782
smiles: [Cd]
inchikey: BDOSMKKIYDKNTQ-OIOBTWANSA-N
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
notation: Cd109

francium 223
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15756-98-6
formula: Fr
inchi: InChI=1S/Fr/i1+0
iupac name: francium-223 @en
pubchem: 6337087
smiles: [Fr]
inchikey: KLMCZVJOEAUDNE-IGMARMGPSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
notation: Fr223

parathion-methyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 63653-66-7
cas number: 298-00-0
cas number: 37359-35-6
formula: C8H10NO5PS
inchi: InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
iupac name: dimethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane @en
pubchem: 4130
smiles: COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
inchikey: RLBIQVVOMOPOHC-UHFFFAOYSA-N
alternative label: methylparathion
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
notation: C1yprton

neptunium
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 7439-99-8
cas number: 22541-66-8
cas number: 22537-61-7
formula: Np
inchi: InChI=1S/Np
iupac name: NEPTUNIUM @en
pubchem: 23933
smiles: [Np]
inchikey: LFNLGNPSGWYGGD-UHFFFAOYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Np

plutonium 240
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 14119-33-6
formula: Pu
inchi: InChI=1S/Pu/i1-4
iupac name: plutonium-240 @en
pubchem: 104728
smiles: [Pu]
inchikey: OYEHPCDNVJXUIW-AHCXROLUSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Pu240

methylhexylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 106-70-7
formula: C7H14O2
inchi: InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
iupac name: Methyl hexanoate @en
pubchem: 7824
smiles: CCCCCC(=O)OC
inchikey: NUKZAGXMHTUAFE-UHFFFAOYSA-N
broader: CHEMONTID_0003417
in scheme: Conceptschema Chemische Stoffen
notation: C1yC6yat

difenyltin
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1011-95-6
cas number: 6381-06-2
formula: C12H10Sn
inchi: InChI=1S/2C6H5.Sn/c2*1-2-4-6-5-3-1;/h2*1-5H;
iupac name: di(phenyl)tin @en
pubchem: 70535
smiles: C1=CC=C(C=C1)[Sn]C2=CC=CC=C2
inchikey: KUCPUSUXIGWHFB-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen

anhydro-erythromycine
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 23893-13-2
formula: C37H65NO12
inchi: InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1
iupac name: (1S,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadecan-7-one @en
pubchem: 83949
inchikey: YKAVHPRGGAUFDN-JTQLBUQXSA-N
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: anHertmcne

1-isopropyl-4-methyl-benzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 4939-75-7
cas number: 99-87-6
formula: C10H14
inchi: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
iupac name: 1-methyl-4-propan-2-ylbenzene @en
pubchem: 7463
smiles: CC1=CC=C(C=C1)C(C)C
inchikey: HFPZCAJZSCWRBC-UHFFFAOYSA-N
alternative label: para-isopropyltolueen
alternative label: p-isopropyltolueen
broader: CHEMONTID_0000051
in scheme: Conceptschema Chemische Stoffen
notation: 1iC3y4C1yBen

bisfenol-A
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 80-05-7
cas number: 28106-82-3
cas number: 27100-33-0
cas number: 137885-53-1
cas number: 27360-89-0
cas number: 37808-08-5
formula: C15H16O2
inchi: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
iupac name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol @en
pubchem: 6623
smiles: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
inchikey: IISBACLAFKSPIT-UHFFFAOYSA-N
alternative label: bisfenol a
alternative label: bisfenol-a
broader: CHEMONTID_0000143
in scheme: Conceptschema Chemische Stoffen
notation: bisFolA

terbutylazine
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5915-41-3
cas number: 63026-57-3
formula: C9H16ClN5
inchi: InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)
iupac name: N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine @en
pubchem: 22206
smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C
inchikey: FZXISNSWEXTPMF-UHFFFAOYSA-N
alternative label: terbuthylazine
broader: CHEMONTID_0001693
in scheme: Conceptschema Chemische Stoffen
notation: terC4yazne

endothal
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 129-67-9
cas number: 145-73-3
cas number: 11096-76-7
formula: C8H8Na2O5
inchi: InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2
iupac name: disodium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate @en
pubchem: 8519
smiles: C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
inchikey: XRHVZWWRFMCBAZ-UHFFFAOYSA-L
broader: CHEMONTID_0000346
in scheme: Conceptschema Chemische Stoffen
notation: endtl

perfluornonaanzuur (pfna)
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 375-95-1
formula: C9HF17O2
inchi: InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid @en
pubchem: 67821
inchikey: UZUFPBIDKMEQEQ-UHFFFAOYSA-N
alternative label: perfluor-n-nonaanzuur
alternative label: perfluor-n-nonaanzuur (pfna)
alternative label: perfluornonaanzuur
broader: CHEMONTID_0003958
in scheme: Conceptschema Chemische Stoffen
notation: PFNA

tertiair-butylacrylaat
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 782475-36-9
cas number: 1663-39-4
formula: C7H12O2
inchi: InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3
iupac name: tert-butyl prop-2-enoate @en
pubchem: 15458
smiles: CC(C)(C)OC(=O)C=C
inchikey: ISXSCDLOGDJUNJ-UHFFFAOYSA-N
broader: CHEMONTID_0004452
in scheme: Conceptschema Chemische Stoffen
notation: ttC4yaclt

uniconazool
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 83657-22-1
cas number: 76714-83-5
formula: C15H18ClN3O
inchi: InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+
iupac name: (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol @en
pubchem: 6436604
inchikey: YNWVFADWVLCOPU-MDWZMJQESA-N
broader: CHEMONTID_0002754
in scheme: Conceptschema Chemische Stoffen
notation: uncnzl

1-ethylnaftaleen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 27138-19-8
cas number: 1127-76-0
formula: C12H12
inchi: InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3
iupac name: 1-Ethylnaphthalene @en
pubchem: 14315
smiles: CCC1=CC=CC2=CC=CC=C21
inchikey: ZMXIYERNXPIYFR-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 1C2yNaf

dexamethason
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 137098-19-2
cas number: 8054-59-9
cas number: 50-02-2
cas number: 23495-06-9
formula: C22H29FO5
inchi: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
iupac name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one @en
pubchem: 5743
inchikey: UREBDLICKHMUKA-CXSFZGCWSA-N
broader: CHEMONTID_0003095
in scheme: Conceptschema Chemische Stoffen
notation: dexmtsn

waterstofsulfide
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
comment: VLAR III (D3) 'zwavelwaterstof'
comment: VLAREM II bijlage 4.4.2 'zwavelwaterstof'
comment: VLAR III (D3, diverse art) 'H2S' en 'H2S-gehalte'
comment: VLAR II Art. 5.28.3.5.1 'H2S'
comment: VLAR II Art. 5.7.14.1
cas number: 12767-24-7
cas number: 57035-13-9
cas number: 7704-34-9
cas number: 13465-07-1
cas number: 7783-06-4
cas number: 63705-05-5
cas number: 56449-52-6
cas number: 81032-32-8
cas number: 12673-82-4
cas number: 8050-82-6
cas number: 56645-30-8
cas number: 11144-15-3
cas number: 56591-09-4
cas number: 12684-31-0
formula: H2S
inchi: InChI=1S/H2S/h1H2
iupac name: hydrogen sulfide @en
pubchem: 402
smiles: S
inchikey: RWSOTUBLDIXVET-UHFFFAOYSA-N
alternative label: octylzwavel
alternative label: waterstofsulfide (H2S)
broader: CHEMONTID_0000555
in scheme: Conceptschema Chemische Stoffen
notation: S8
notation: H2S

2,4,6-trichloor-1,3,5-triazine
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 108-77-0
cas number: 190086-22-7
formula: C3Cl3N3
inchi: InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1
iupac name: 2,4,6-Trichloro-1,3,5-triazine @en
pubchem: 7954
smiles: C1(=NC(=NC(=N1)Cl)Cl)Cl
inchikey: MGNCLNQXLYJVJD-UHFFFAOYSA-N
alternative label: cyanuurzuurchloride
broader: CHEMONTID_0004721
in scheme: Conceptschema Chemische Stoffen
notation: CNuzCl

fenoxaprop-ethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 82110-72-3
cas number: 87714-45-2
cas number: 66441-23-4
formula: C18H16ClNO5
inchi: InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3
iupac name: ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate @en
pubchem: 47938
inchikey: PQKBPHSEKWERTG-UHFFFAOYSA-N
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: fenOapC2y

2,4-d butoxyethylester
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1929-73-3
formula: C14H18Cl2O4
inchi: InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3
iupac name: 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate @en
pubchem: 16002
smiles: CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
inchikey: ZMWGIGHRZQTQRE-UHFFFAOYSA-N
alternative label: 2,4-D butoxyethylester
broader: CHEMONTID_0000417
in scheme: Conceptschema Chemische Stoffen
notation: 24DC4oxC2yEs

2-deaminoactinomycine D
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10118-32-8
formula: C62H85N11O16
inchi: InChI=1S/C62H85N11O16/c1-28(2)43-59(83)72-23-17-19-38(72)57(81)68(13)26-41(75)70(15)49(30(5)6)61(85)87-34(11)45(55(79)64-43)66-53(77)36-22-21-32(9)51-47(36)63-48-37(25-40(74)33(10)52(48)89-51)54(78)67-46-35(12)88-62(86)50(31(7)8)71(16)42(76)27-69(14)58(82)39-20-18-24-73(39)60(84)44(29(3)4)65-56(46)80/h21-22,25,28-31,34-35,38-39,43-46,49-50H,17-20,23-24,26-27H2,1-16H3,(H,64,79)(H,65,80)(H,66,77)(H,67,78)
iupac name: 4,6-dimethyl-3-oxo-N,N'-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide @en
pubchem: 99813
inchikey: ZOWMRHVAQGTFTG-UHFFFAOYSA-N
alternative label: 2-deaminoactinomycine d
broader: CHEMONTID_0001994
in scheme: Conceptschema Chemische Stoffen
notation: 2dAoatnmcnD

uranium 231
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 15700-08-0
formula: U
inchi: InChI=1S/U/i1-7
iupac name: uranium-231 @en
pubchem: 177622
smiles: [U]
inchikey: JFALSRSLKYAFGM-NOHWODKXSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: U231

3,7,11,15-tetramethyl-2-hexadecen-1-ol
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 102608-53-7
formula: C20H40O
inchi: InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+
iupac name: ['(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol', '3,7,11,15-Tetramethylhexadec-2-en-1-ol'] @en
pubchem: 5366244
smiles: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
inchikey: BOTWFXYSPFMFNR-HMMYKYKNSA-N
broader: CHEMONTID_0001357
in scheme: Conceptschema Chemische Stoffen
notation: 371115T4C1y2

actinium 228
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 14331-83-0
formula: Ac
inchi: InChI=1S/Ac/i1+1
iupac name: actinium-228 @en
pubchem: 105063
smiles: [Ac]
inchikey: QQINRWTZWGJFDB-OUBTZVSYSA-N
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
notation: Ac228

ethoxyethylacetaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 111-15-9
formula: C6H12O3
inchi: InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
iupac name: 2-Ethoxyethyl acetate @en
pubchem: 8095
smiles: CCOCCOC(=O)C
inchikey: SVONRAPFKPVNKG-UHFFFAOYSA-N
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
notation: C2oxC2yactt

8-chinolinol
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 123574-67-4
cas number: 148-24-3
cas number: 24804-14-6
formula: C9H7NO
inchi: InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
iupac name: quinolin-8-ol @en
pubchem: 1923
smiles: C1=CC2=C(C(=C1)O)N=CC=C2
inchikey: MCJGNVYPOGVAJF-UHFFFAOYSA-N
broader: CHEMONTID_0003953
in scheme: Conceptschema Chemische Stoffen
notation: 8chinlnl

1-methyl-2-(1-methylethyl)-benzeen (o-cymeen)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 25155-15-1
cas number: 52857-36-0
cas number: 527-84-4
cas number: 8023-69-6
cas number: 1329-98-2
cas number: 40356-70-5
formula: C10H14
inchi: InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
iupac name: 1-methyl-2-propan-2-ylbenzene @en
pubchem: 10703
smiles: CC1=CC=CC=C1C(C)C
inchikey: WWRCMNKATXZARA-UHFFFAOYSA-N
broader: CHEMONTID_0000355
in scheme: Conceptschema Chemische Stoffen
notation: 1C1y21C1yC2y

tetrabutylammoniumchloride
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 25147-59-5
cas number: 1112-67-0
formula: C16H36ClN
inchi: InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
iupac name: tetrabutylazanium chloride @en
pubchem: 70681
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]
inchikey: NHGXDBSUJJNIRV-UHFFFAOYSA-M
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
notation: T4C4yNH4Cl

chlorofeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 144246-47-9
cas number: 8013-49-8
cas number: 120-32-1
formula: C13H11ClO
inchi: InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
iupac name: 4-Chloro-2-(phenylmethyl)phenol @en
pubchem: 8425
smiles: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O
inchikey: NCKMMSIFQUPKCK-UHFFFAOYSA-N
alternative label: 4-chloor-2-benzylfenol
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
notation: Clfn

cefapirine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 21593-23-7
formula: C17H16N3NaO6S2
inchi: InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1
iupac name: sodium 3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate @en
pubchem: 32325
inchikey: VGEOUKPOQQEQSX-UHFFFAOYSA-M
broader: CHEMONTID_0004411
in scheme: Conceptschema Chemische Stoffen

fenoxaprop-P-ethyl
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 71283-80-2
formula: C18H16ClNO5
inchi: InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1
iupac name: ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate @en
pubchem: 91707
inchikey: PQKBPHSEKWERTG-LLVKDONJSA-N
alternative label: fenoxaprop-p-ethyl
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
notation: fenxppPC2y

clopyralid
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 1702-17-6
formula: C6H3Cl2NO2
inchi: InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
iupac name: 3,6-Dichloropyridine-2-carboxylic acid @en
pubchem: 15553
smiles: C1=CC(=NC(=C1Cl)C(=O)O)Cl
inchikey: HUBANNPOLNYSAD-UHFFFAOYSA-N
broader: CHEMONTID_0002414
in scheme: Conceptschema Chemische Stoffen
notation: cloprld

(z)-9-octadeceenzuur butylester
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 142-77-8
formula: C22H42O2
inchi: InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
iupac name: butyl (Z)-octadec-9-enoate @en
pubchem: 5354342
smiles: CCCCCCCCC=CCCCCCCCC(=O)OCCCC
inchikey: WIBFFTLQMKKBLZ-SEYXRHQNSA-N
alternative label: (Z)-9-octadeceenzuur butylester
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
notation: Z-9C18ezrC4y

candesartan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 139481-59-7
formula: C24H20N6O3
inchi: InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
iupac name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid @en
pubchem: 2541
inchikey: HTQMVQVXFRQIKW-UHFFFAOYSA-N
broader: CHEMONTID_0000041
in scheme: Conceptschema Chemische Stoffen
notation: candstn

3-hydroxypropylmethacrylaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 68298-92-0
cas number: 39420-45-6
cas number: 50858-50-9
cas number: 55844-66-1
cas number: 72146-59-9
cas number: 2761-09-3
cas number: 111173-57-0
cas number: 78736-62-6
formula: C7H12O3
inchi: InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3
iupac name: 3-hydroxypropyl 2-methylprop-2-enoate @en
pubchem: 17694
smiles: CC(=C)C(=O)OCCCO
inchikey: GNSFRPWPOGYVLO-UHFFFAOYSA-N
broader: CHEMONTID_0003626
in scheme: Conceptschema Chemische Stoffen
notation: 3HOC3ymtclt

monuron
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 150-68-5
formula: C9H11ClN2O
inchi: InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
iupac name: 3-(4-Chlorophenyl)-1,1-dimethylurea @en
pubchem: 8800
smiles: CN(C)C(=O)NC1=CC=C(C=C1)Cl
inchikey: BMLIZLVNXIYGCK-UHFFFAOYSA-N
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
notation: monrn

1-naftaleenazijnzuur
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 61913-11-9
cas number: 86-87-3
cas number: 26445-01-2
formula: C12H10O2
inchi: InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
iupac name: 2-naphthalen-1-ylacetic acid @en
pubchem: 6862
smiles: C1=CC=C2C(=C1)C=CC=C2CC(=O)O
inchikey: PRPINYUDVPFIRX-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 1NafHAc

nonylfenoldiethoxylaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 106400-82-2
cas number: 27176-93-8
formula: C19H32O3
inchi: InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3
iupac name: 2-[2-(2-nonylphenoxy)ethoxy]ethanol @en
pubchem: 3032832
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCO
inchikey: RRLGETDMEIMLQU-UHFFFAOYSA-N
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen
notation: NPEO2

2,6-dimethylfenol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 576-26-1
cas number: 25134-01-4
cas number: 50356-22-4
cas number: 28449-96-9
cas number: 1300-71-6
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
iupac name: 2,6-Dimethylphenol @en
pubchem: 11335
smiles: CC1=C(C(=CC=C1)C)O
inchikey: NXXYKOUNUYWIHA-UHFFFAOYSA-N
broader: CHEMONTID_0001274
in scheme: Conceptschema Chemische Stoffen
notation: 26DC1yFol

fosfamidon
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 23783-98-4
cas number: 13171-21-6
formula: C10H19ClNO5P
inchi: InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8-
iupac name: ['(3-chloro-4-diethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '(3-chloro-4-diethylamino-4-oxobut-2-en-2-yl)oxy-hydroxy-dimethoxyphosphanium', '[(Z)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate'] @en
pubchem: 3032604
smiles: CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl
inchikey: RGCLLPNLLBQHPF-HJWRWDBZSA-N
alternative label: cis-fosfamidon
broader: CHEMONTID_0003459
in scheme: Conceptschema Chemische Stoffen
notation: fosfmdn
notation: cfosfmdn

tiocarbazil
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 36756-79-3
formula: C16H25NOS
inchi: InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3
iupac name: S-(phenylmethyl) (di(butan-2-yl)amino)methanethioate @en
pubchem: 37523
smiles: CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1
inchikey: PHSUVQBHRAWOQD-UHFFFAOYSA-N
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: tocbzl

2-chloor-4-methylaniline
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 615-65-6
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
iupac name: 2-Chloro-4-methylaniline @en
pubchem: 12007
smiles: CC1=CC(=C(C=C1)N)Cl
inchikey: XGYLSRFSXKAYCR-UHFFFAOYSA-N
alternative label: 2-chloor-para-toluïdine
broader: CHEMONTID_0003964
in scheme: Conceptschema Chemische Stoffen
notation: 2Cl4C1yAn

methotrexaat
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 59-05-2
formula: C20H22N8O5
inchi: InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
iupac name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid @en
pubchem: 126941
inchikey: FBOZXECLQNJBKD-ZDUSSCGKSA-N
broader: CHEMONTID_0004323
in scheme: Conceptschema Chemische Stoffen
notation: mettxt

1-methoxybutaan
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 628-28-4
formula: C5H12O
inchi: InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3
iupac name: 1-Methoxybutane @en
pubchem: 12338
smiles: CCCCOC
inchikey: CXBDYQVECUFKRK-UHFFFAOYSA-N
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
notation: 1C1oxC4a

2,3-dichloornitrobenzeen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 3209-22-1
cas number: 27900-75-0
formula: C6H3Cl2NO2
inchi: InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
iupac name: 1,2-Dichloro-3-nitrobenzene @en
pubchem: 18555
smiles: C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]
inchikey: CMVQZRLQEOAYSW-UHFFFAOYSA-N
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
notation: 23DClNO2Ben

2,3,3',4,5-pentachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 70424-69-0
formula: C12H5Cl5
inchi: InChI=1S/C12H5Cl5/c13-7-3-1-2-6(4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H
iupac name: 1,2,3,4-tetrachloro-5-(3-chlorophenyl)benzene @en
pubchem: 51075
inchikey: BQENMISTWGTJIJ-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
notation: PCB107

trimethylamine
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 4558-12-7
cas number: 75-50-3
formula: C3H9N
inchi: InChI=1S/C3H9N/c1-4(2)3/h1-3H3
iupac name: N,N-dimethylmethanamine @en
pubchem: 1146
smiles: CN(C)C
inchikey: GETQZCLCWQTVFV-UHFFFAOYSA-N
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
notation: TC1yAe

1,4-diacetylbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 1009-61-6
formula: C10H10O2
inchi: InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
iupac name: 1-(4-acetylphenyl)ethanone @en
pubchem: 13888
smiles: CC(=O)C1=CC=C(C=C1)C(=O)C
inchikey: SKBBQSLSGRSQAJ-UHFFFAOYSA-N
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
notation: 14DactBen

1,4-dimethylnaftaleen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
cas number: 571-58-4
formula: C12H12
inchi: InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3
iupac name: 1,4-Dimethylnaphthalene @en
pubchem: 11304
smiles: CC1=CC=C(C2=CC=CC=C12)C
inchikey: APQSQLNWAIULLK-UHFFFAOYSA-N
broader: CHEMONTID_0000023
in scheme: Conceptschema Chemische Stoffen
notation: 14DC1yNaf

cis-13,16-docosadieenzuur
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 7370-49-2
formula: C22H40O2
iupac name: (13E,16E)-docosa-13,16-dienoic acid @en
pubchem: 5282807
smiles: CCCCCC=CCC=CCCCCCCCCCCCC(=O)O
inchikey: HVGRZDASOHMCSK-AVQMFFATSA-N
broader: CHEMONTID_0002950
in scheme: Conceptschema Chemische Stoffen
notation: c1316C22aDzr