trimethyloctadecylammonium bromide
type: ChemicalCompound
iupac name: trimethyl-octadecylazanium bromide @en
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
pubchem: 70708
broader: CHEMONTID_0004225
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: SZEMGTQCPRNXEG-UHFFFAOYSA-M
notation: TC1yC18yNH4B
type: ChemicalSubstance
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
cas number: 1120-02-1
formula: C21H46BrN

n,n-bis(2-methylpropyl)amine
iupac name: bis[(2S)-butan-2-yl]azanium @en
type: ChemicalSubstance
inchi: InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3/p+1/t7-,8+
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
alternative label: N,N-bis(2-methylpropyl)amine
smiles: CCC(C)[NH2+]C(C)CC
pubchem: 1550465
notation: NNb2C1yC3yAe
formula: C8H20N+
type: Concept
inchikey: OBYVIBDTOCAXSN-OCAPTIKFSA-O
broader: CHEMONTID_0002228
cas number: 110-96-3

chlozolinaat
cas number: 84332-86-5
broader: CHEMONTID_0002564
pubchem: 51574
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
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 72391-46-9
notation: chlozlnt
in scheme: Conceptschema Chemische Stoffen
iupac name: ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate @en
inchikey: IGUYEXXAGBDLLX-UHFFFAOYSA-N
formula: C13H11Cl2NO5

sulcotrion
type: Concept
broader: CHEMONTID_0004673
pubchem: 91760
formula: C14H13ClO5S
cas number: 99105-77-8
iupac name: 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione @en
notation: sulcton
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
type: ChemicalCompound
cas number: 114680-61-4
inchikey: PQTBTIFWAXVEPB-UHFFFAOYSA-N
cas number: 123174-48-1
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

perfluoroctaanzuur, natriumzout
broader: CHEMONTID_0003962
pubchem: 67637
formula: C8F15NaO2
iupac name: sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate @en
inchikey: LWHQXUODFPPQTL-UHFFFAOYSA-M
type: ChemicalCompound
type: ChemicalSubstance
notation: PFOA_Na
in scheme: Conceptschema Chemische Stoffen
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
type: Concept
cas number: 335-95-5

(5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon
broader: CHEMONTID_0001975
alternative label: (5s)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon
type: ChemicalCompound
formula: C10H12N2O
type: Concept
notation: 5S1C1y53prdn
smiles: CN1C(CCC1=O)C2=CN=CC=C2
inchikey: UIKROCXWUNQSPJ-UHFFFAOYSA-N
iupac name: 1-methyl-5-pyridin-3-ylpyrrolidin-2-one @en
cas number: 486-56-6
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
type: ChemicalSubstance
pubchem: 408
in scheme: Conceptschema Chemische Stoffen

3-chloor-n,n-dimethylaniline
pubchem: 23285
type: Concept
formula: C8H10ClN
cas number: 6848-13-1
inchikey: CHHCCYVOJBBCIY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
alternative label: 3-chloor-N,N-dimethylaniline
iupac name: 3-Chloro-N,N-dimethylaniline @en
type: ChemicalCompound
smiles: CN(C)C1=CC(=CC=C1)Cl
broader: CHEMONTID_0003901
type: ChemicalSubstance
inchi: InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
notation: 3ClNNDC1yAn

dimetilan
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
cas number: 644-64-4
notation: dimtln
smiles: CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C
type: Concept
formula: C10H16N4O3
inchikey: RDBIYWSVMRVKSG-UHFFFAOYSA-N
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
pubchem: 12572
iupac name: [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate @en
broader: CHEMONTID_0000087

clotrimazol
pubchem: 2812
cas number: 117829-71-7
notation: clotmzl
type: ChemicalCompound
inchikey: VNFPBHJOKIVQEB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
iupac name: 1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole @en
broader: CHEMONTID_0004524
formula: C22H17ClN2
cas number: 23593-75-1
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

bromaat
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: BrO3-
inchikey: SXDBWCPKPHAZSM-UHFFFAOYSA-M
notation: BrO3
type: ChemicalCompound
type: ChemicalSubstance
cas number: 15541-45-4
smiles: [O-]Br(=O)=O
broader: CHEMONTID_0001048
pubchem: 84979
inchi: InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1
iupac name: bromate @en

diethylamine
formula: C4H11N
inchikey: HPNMFZURTQLUMO-UHFFFAOYSA-N
type: Concept
iupac name: N-ethylethanamine @en
comment: VLAREM II bijlage 4.4.2
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
cas number: 109-89-7
inchi: InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
type: ChemicalCompound
smiles: CCNCC
type: ChemicalSubstance
alternative label: di-ethylamine
pubchem: 8021
notation: DC2yAe

uniconazool
cas number: 83657-22-1
iupac name: (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol @en
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0002754
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+
notation: uncnzl
inchikey: YNWVFADWVLCOPU-MDWZMJQESA-N
type: ChemicalCompound
pubchem: 6436604
in scheme: Conceptschema Chemische Stoffen
cas number: 76714-83-5

calciumsulfaat
type: ChemicalSubstance
cas number: 23296-15-3
inchi: InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
cas number: 151621-69-1
cas number: 326855-67-8
cas number: 146522-67-0
iupac name: CALCIUM SULFATE @en
inchikey: OSGAYBCDTDRGGQ-UHFFFAOYSA-L
in scheme: Conceptschema Chemische Stoffen
notation: CaSO4
formula: CaO4S
pubchem: 24497
cas number: 99400-01-8
broader: CHEMONTID_0000699
type: ChemicalCompound
smiles: [O-]S(=O)(=O)[O-].[Ca+2]
type: Concept
cas number: 7778-18-9

barbital
notation: barbtl
iupac name: 5,5-diethyl-1,3-diazinane-2,4,6-trione @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 57-44-3
pubchem: 2294
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)
formula: C8H12N2O3
smiles: CCC1(C(=O)NC(=O)NC1=O)CC
broader: CHEMONTID_0000292
type: ChemicalSubstance
inchikey: FTOAOBMCPZCFFF-UHFFFAOYSA-N
type: Concept

n,n,3-trimethylaniline
notation: NN3TC1yAn
formula: C9H13N
smiles: CC1=CC(=CC=C1)N(C)C
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
type: ChemicalSubstance
alternative label: N,N,3-trimethylaniline
pubchem: 8488
iupac name: N,N,3-Trimethylaniline @en
cas number: 121-72-2
type: Concept
inchikey: CWOMTHDOJCARBY-UHFFFAOYSA-N
broader: CHEMONTID_0003964
type: ChemicalCompound

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

tetraethyllood
broader: CHEMONTID_0004289
cas number: 78-00-2
iupac name: Tetraethylplumbane @en
type: ChemicalCompound
formula: C8H20Pb
pubchem: 6511
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: T4C2yPb
type: ChemicalSubstance
smiles: CC[Pb](CC)(CC)CC
inchikey: MRMOZBOQVYRSEM-UHFFFAOYSA-N
inchi: InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;

chloorflurenol
pubchem: 17169
type: ChemicalSubstance
notation: clfrnl
broader: CHEMONTID_0000020
cas number: 2464-37-1
iupac name: 2-CHLORO-9-HYDROXYFLUORENE-9-CARBOXYLIC ACID @en
type: Concept
type: ChemicalCompound
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)
formula: C14H9ClO3
in scheme: Conceptschema Chemische Stoffen
inchikey: SVOAUHHKPGKPQK-UHFFFAOYSA-N

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

sandacanol
type: ChemicalCompound
smiles: CCC(=CCC1CC=C(C1(C)C)C)CO
iupac name: (E)-2-ethyl-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)but-2-en-1-ol @en
pubchem: 6438196
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001563
notation: ETCB
inchikey: KHQDWCKZXLWDNM-KPKJPENVSA-N
type: Concept
cas number: 28219-61-6
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+
type: ChemicalSubstance
formula: C14H24O

diquatdibromide-monohydraat
type: Concept
broader: CHEMONTID_0001764
formula: C12H14Br2N2O
iupac name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate @en
smiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]
cas number: 6385-62-2
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: KLJOSQAQZMLLMB-UHFFFAOYSA-L
notation: DqDBrH2O
pubchem: 115268
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

pizotifen
in scheme: Conceptschema Chemische Stoffen
inchikey: FIADGNVRKBPQEU-UHFFFAOYSA-N
cas number: 15574-96-6
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
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
type: ChemicalSubstance
notation: piztfn
broader: CHEMONTID_0002338
formula: C19H21NS
smiles: CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1
type: ChemicalCompound
type: Concept

n-butylacetaat
is referenced by: LUC IV 012
is referenced by: LUC IV 011
type: ChemicalSubstance
notation: C4yactt
smiles: CCCCOC(=O)C
inchikey: DKPFZGUDAPQIHT-UHFFFAOYSA-N
formula: C6H12O2
in scheme: Conceptschema Chemische Stoffen
cas number: 123-86-4
is referenced by: LUC IV 004
type: Concept
broader: CHEMONTID_0001238
alternative label: butylacetaat
comment: VLAR II bijl. 4.4.2
iupac name: Butyl acetate @en
pubchem: 31272
inchi: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
type: ChemicalCompound
is referenced by: LUC IV 000

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

2-chloorpropeen
pubchem: 11203
inchi: InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002863
inchikey: PNLQPWWBHXMFCA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C3H5Cl
iupac name: 2-chloroprop-1-ene @en
smiles: CC(=C)Cl
type: Concept
cas number: 557-98-2
notation: 2ClC3e

4-methylquinazoline
formula: C9H8N2
pubchem: 241520
broader: CHEMONTID_0000485
cas number: 700-46-9
notation: 4C1yqnzlne
type: Concept
type: ChemicalCompound
smiles: CC1=NC=NC2=CC=CC=C12
iupac name: 4-Methylquinazoline @en
inchi: InChI=1S/C9H8N2/c1-7-8-4-2-3-5-9(8)11-6-10-7/h2-6H,1H3
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: JWEOEZZCZCCPJL-UHFFFAOYSA-N

haloperidol
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 3559
iupac name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one @en
cas number: 52-86-8
notation: halprdl
inchikey: LNEPOXFFQSENCJ-UHFFFAOYSA-N
formula: C21H23ClFNO2
type: Concept
broader: CHEMONTID_0004298
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
type: ChemicalCompound

benzo(j)fluorantheen
pubchem: 9152
notation: BjF
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
cas number: 205-82-3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
formula: C20H12
broader: CHEMONTID_0000023
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
inchikey: KHNYNFUTFKJLDD-UHFFFAOYSA-N

dimethylditetradecylammonium bromide
pubchem: 3017829
iupac name: dimethyl-di(tetradecyl)azanium bromide @en
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
inchikey: IRMGVPILCPGYNQ-UHFFFAOYSA-M
cas number: 68105-02-2
type: ChemicalCompound
formula: C30H64BrN
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: DC1yDC14yNH4
type: Concept
smiles: CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-]
broader: CHEMONTID_0004225

thallium 202
inchikey: BKVIYDNLLOSFOA-YPZZEJLDSA-N
iupac name: thallium-202 @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: [Tl]
inchi: InChI=1S/Tl/i1-2
type: Concept
cas number: 15720-57-7
formula: Tl
notation: Tl202
pubchem: 6337071
broader: CHEMONTID_0000427
type: ChemicalSubstance

flonicamid
type: ChemicalCompound
formula: C9H6F3N3O
in scheme: Conceptschema Chemische Stoffen
inchikey: RLQJEEJISHYWON-UHFFFAOYSA-N
smiles: C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N
broader: CHEMONTID_0002253
type: ChemicalSubstance
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)
cas number: 158062-67-0
pubchem: 9834513
type: Concept
iupac name: N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide @en
notation: floncmd

kwik 203
inchi: InChI=1S/Hg/i1+2
pubchem: 104771
type: ChemicalCompound
type: ChemicalSubstance
iupac name: mercury-203 @en
in scheme: Conceptschema Chemische Stoffen
smiles: [Hg]
type: Concept
broader: CHEMONTID_0000426
formula: Hg
inchikey: QSHDDOUJBYECFT-NJFSPNSNSA-N
notation: Hg203
cas number: 13982-78-0

plutonium 239
smiles: [Pu]
pubchem: 61782
cas number: 15117-48-3
formula: Pu
iupac name: plutonium-239 @en
broader: CHEMONTID_0000430
inchi: InChI=1S/Pu/i1-5
in scheme: Conceptschema Chemische Stoffen
cas number: 97918-67-7
inchikey: OYEHPCDNVJXUIW-FTXFMUIASA-N
type: ChemicalCompound
notation: Pu239
type: ChemicalSubstance
type: Concept

methylcarbamaat
type: Concept
formula: C2H5NO2
iupac name: Methyl carbamate @en
inchi: InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)
in scheme: Conceptschema Chemische Stoffen
inchikey: GTCAXTIRRLKXRU-UHFFFAOYSA-N
pubchem: 11722
notation: C1ycbmt
type: ChemicalCompound
cas number: 598-55-0
broader: CHEMONTID_0004787
type: ChemicalSubstance
smiles: COC(=O)N

prosulfocarb
notation: prosfcb
pubchem: 62020
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
formula: C14H21NOS
type: Concept
inchikey: NQLVQOSNDJXLKG-UHFFFAOYSA-N
broader: CHEMONTID_0002279
type: ChemicalSubstance
type: ChemicalCompound
iupac name: S-(phenylmethyl) (dipropylamino)methanethioate @en
in scheme: Conceptschema Chemische Stoffen
smiles: CCCN(CCC)C(=O)SCC1=CC=CC=C1
cas number: 52888-80-9

cyclopenta(cd)pyreen
notation: cycPecdPyr
formula: C18H10
broader: CHEMONTID_0001851
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 33743
inchikey: BZCXQYVNASLLQO-UHFFFAOYSA-N
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
cas number: 27208-37-3
type: Concept

ijzer(III)chloride
in scheme: Conceptschema Chemische Stoffen
smiles: Cl[Fe](Cl)Cl
formula: Cl3Fe
inchikey: RBTARNINKXHZNM-UHFFFAOYSA-K
broader: CHEMONTID_0000588
inchi: InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3
notation: FeCl3
type: Concept
cas number: 12178-83-5
cas number: 130622-20-7
iupac name: ['trichloroiron', 'iron(+3) cation trichloride'] @en
pubchem: 24380
type: ChemicalSubstance
cas number: 7705-08-0
type: ChemicalCompound
cas number: 12040-57-2
alternative label: ijzer(iii)chloride

2,3,4,5 tetrachlooraniline
iupac name: 2,3,4,5-TETRACHLOROANILINE @en
inchi: InChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2
notation: 2345T4ClAn
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N
type: ChemicalSubstance
inchikey: GBKZRUCVLTWAML-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 12466
cas number: 634-83-3
alternative label: 2,3,4,5-tetrachlooraniline
broader: CHEMONTID_0000284
formula: C6H3Cl4N
in scheme: Conceptschema Chemische Stoffen
type: Concept

amitriptyline
type: ChemicalSubstance
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
type: ChemicalCompound
cas number: 50-48-6
inchikey: KRMDCWKBEZIMAB-UHFFFAOYSA-N
smiles: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
cas number: 30227-34-0
notation: amttlne
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000019
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
type: Concept

tri-o-cresylfosfaat
broader: CHEMONTID_0004619
type: Concept
type: ChemicalCompound
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: ['hydroxy-tris(2-methylphenoxy)phosphanium', 'tris(2-methylphenyl) phosphate'] @en
inchikey: YSMRWXYRXBRSND-UHFFFAOYSA-N
formula: C21H21O4P
cas number: 1336-40-9
notation: TocsPO4
pubchem: 6527
cas number: 78-30-8

isoxadifen-ethyl
formula: C18H17NO3
cas number: 163520-33-0
inchikey: MWKVXOJATACCCH-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 6451155
notation: ixdfnC2y
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
type: Concept
iupac name: ethyl 5,5-di(phenyl)-4H-1,2-oxazole-3-carboxylate @en
type: ChemicalCompound
broader: CHEMONTID_0000369

azamethifos
smiles: COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O
pubchem: 71482
notation: azmtfs
in scheme: Conceptschema Chemische Stoffen
formula: C9H10ClN2O5PS
inchikey: VNKBTWQZTQIWDV-UHFFFAOYSA-N
iupac name: 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one @en
type: ChemicalSubstance
cas number: 51274-12-5
cas number: 59217-99-1
broader: CHEMONTID_0002118
type: Concept
cas number: 35575-96-3
type: ChemicalCompound

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

ethiofencarbsulfoxide
inchikey: OMOLDRXZKFFGJI-UHFFFAOYSA-N
cas number: 53380-22-6
type: ChemicalSubstance
broader: CHEMONTID_0004640
in scheme: Conceptschema Chemische Stoffen
notation: etofcbSO
iupac name: [2-(ethylsulfinylmethyl)phenyl] N-methylcarbamate @en
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)
type: ChemicalCompound
smiles: CCS(=O)CC1=CC=CC=C1OC(=O)NC
pubchem: 3035207
type: Concept
formula: C11H15NO3S

2-naftaleensulfonzuur
cas number: 120-18-3
inchikey: KVBGVZZKJNLNJU-UHFFFAOYSA-N
notation: 2Nafsfzr
cas number: 54257-18-0
pubchem: 8420
formula: C10H8O3S
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003601
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
smiles: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

1,2-epoxyethylbenzeen
notation: 12epOxC2yBen
iupac name: 2-Phenyloxirane @en
in scheme: Conceptschema Chemische Stoffen
cas number: 67253-49-0
cas number: 96-09-3
inchi: InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
smiles: C1C(O1)C2=CC=CC=C2
type: Concept
inchikey: AWMVMTVKBNGEAK-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance
cas number: 62497-63-6
formula: C8H8O
broader: CHEMONTID_0002279
pubchem: 7276

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

dibroom
type: ChemicalCompound
broader: CHEMONTID_0000548
alternative label: bromide
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 24959-67-9
formula: Br-
cas number: 7726-95-6
notation: Br
smiles: [Br-]
type: ChemicalSubstance
notation: Br2
pubchem: 259
inchikey: CPELXLSAUQHCOX-UHFFFAOYSA-M
iupac name: bromide @en
inchi: InChI=1S/BrH/h1H/p-1

methyl o-acetylricinoleaat
formula: C21H38O4
type: ChemicalSubstance
notation: C1yOactrcnla
type: Concept
pubchem: 5282107
alternative label: methyl O-acetylricinoleaat
iupac name: methyl (Z)-12-acetyloxyoctadec-9-enoate @en
inchikey: CMOYPQWMTBSLJK-KAMYIIQDSA-N
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-
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 140-03-4
smiles: CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C
broader: CHEMONTID_0001722

3,7,11,15-tetramethyl-2-hexadecen-1-ol
notation: 371115T4C1y2
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+
type: ChemicalSubstance
type: ChemicalCompound
inchikey: BOTWFXYSPFMFNR-HMMYKYKNSA-N
formula: C20H40O
type: Concept
broader: CHEMONTID_0001357
cas number: 102608-53-7
pubchem: 5366244
smiles: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
in scheme: Conceptschema Chemische Stoffen
iupac name: ['(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol', '3,7,11,15-Tetramethylhexadec-2-en-1-ol'] @en

pyreen
type: Concept
broader: CHEMONTID_0001851
is referenced by: LUC VI 001
in scheme: Conceptschema Chemische Stoffen
formula: C16H10
notation: Pyr
cas number: 76165-23-6
inchikey: BBEAQIROQSPTKN-UHFFFAOYSA-N
cas number: 129-00-0
iupac name: PYRENE @en
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
type: ChemicalCompound
smiles: C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
pubchem: 31423
type: ChemicalSubstance

dioxabenzofos
cas number: 3811-49-2
type: ChemicalCompound
notation: DOxbzfs
formula: C8H9O3PS
cas number: 90293-16-6
iupac name: 8-methoxy-8-sulfanylidene-7,9-dioxa-8$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5-triene @en
inchikey: OUNSASXJZHBGAI-UHFFFAOYSA-N
broader: CHEMONTID_0004623
cas number: 90293-10-0
in scheme: Conceptschema Chemische Stoffen
smiles: COP1(=S)OCC2=CC=CC=C2O1
inchi: InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3
type: Concept
type: ChemicalSubstance
pubchem: 19657

perfluorhexaansulfonzuur (pfhxs)
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
inchikey: QZHDEAJFRJCDMF-UHFFFAOYSA-N
alternative label: perfluor-n-hexaansulfonzuur (pfhxs)
type: ChemicalSubstance
type: ChemicalCompound
alternative label: perfluor-n-hexaansulfonzuur
formula: C6HF13O3S
notation: L_PFHxS
pubchem: 67734
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)
notation: PFHxS
alternative label: perfluorhexaansulfonzuur
cas number: 355-46-4
type: Concept
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid @en

2-hydroxyatrazine
smiles: CCNC1=NC(=O)N=C(N1)NC(C)C
type: ChemicalCompound
pubchem: 16553
formula: C8H15N5O
in scheme: Conceptschema Chemische Stoffen
inchikey: NFMIMWNQWAWNDW-UHFFFAOYSA-N
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)
alternative label: 2-hydroxy-atrazine
iupac name: 4-ethylamino-6-(propan-2-ylamino)-5H-1,3,5-triazin-2-one @en
cas number: 2163-68-0
notation: 2HOxatzne
type: Concept
broader: CHEMONTID_0004105
type: ChemicalSubstance

thiamethoxam
notation: thiamtxm
inchikey: NWWZPOKUUAIXIW-DHZHZOJOSA-N
type: Concept
smiles: CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl
pubchem: 5821911
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+
type: ChemicalCompound
formula: C8H10ClN5O3S
cas number: 153719-23-4
broader: CHEMONTID_0002635
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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

wolfraam
cas number: 7440-33-7
iupac name: Tungsten @en
cas number: 37374-90-6
broader: CHEMONTID_0000426
type: ChemicalSubstance
smiles: [W]
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 23964
cas number: 22541-98-6
inchikey: WFKWXMTUELFFGS-UHFFFAOYSA-N
inchi: InChI=1S/W
formula: W
notation: W
type: Concept

4'-tertiair-butyl-2',6'-dimethylacetofenon
notation: 4ttC4y26DC1y
type: Concept
broader: CHEMONTID_0004298
formula: C14H20O
iupac name: 1-(4-tert-butyl-2,6-dimethylphenyl)ethanone @en
cas number: 2040-10-0
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3
type: ChemicalSubstance
pubchem: 74879
type: ChemicalCompound
inchikey: JNHLHPMTMTYLCP-UHFFFAOYSA-N
smiles: CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)C

acetylcedreen
inchikey: YBUIAJZFOGJGLJ-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 68039-35-0
iupac name: 1-(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl)ethanone @en
type: ChemicalCompound
formula: C17H26O
cas number: 32388-55-9
in scheme: Conceptschema Chemische Stoffen
smiles: CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C
broader: CHEMONTID_0003752
notation: ATCD
cas number: 126239-49-4
pubchem: 107065
type: Concept
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

antimoon 122
smiles: [Sb]
type: Concept
cas number: 14374-79-9
inchikey: WATWJIUSRGPENY-IGMARMGPSA-N
inchi: InChI=1S/Sb/i1+0
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: Sb
notation: Sb122
iupac name: antimony-122 @en
pubchem: 6335836
type: ChemicalSubstance
broader: CHEMONTID_0000431

2,4-dimethylbenzaldehyde
inchikey: GISVICWQYMUPJF-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 2,4-Dimethylbenzaldehyde @en
formula: C9H10O
cas number: 15764-16-6
in scheme: Conceptschema Chemische Stoffen
notation: 24DC1yBenAh
inchi: InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3
smiles: CC1=CC(=C(C=C1)C=O)C
pubchem: 61814
broader: CHEMONTID_0000321

fenaminosulf
broader: CHEMONTID_0003901
notation: fenmnsf
cas number: 140-56-7
iupac name: sodium N-(4-dimethylaminophenyl)iminosulfamate @en
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
in scheme: Conceptschema Chemische Stoffen
formula: C8H10N3NaO3S
cas number: 150-70-9
pubchem: 8807
inchikey: IWDQPCIQCXRBQP-UHFFFAOYSA-M
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+]

1-chloornaftaleen
inchi: InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
cas number: 90-13-1
formula: C10H7Cl
iupac name: 1-Chloronaphthalene @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: C1=CC=C2C(=C1)C=CC=C2Cl
notation: 1ClNaf
pubchem: 7003
inchikey: JTPNRXUCIXHOKM-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004794

dioctylftalaat
pubchem: 8346
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
in scheme: Conceptschema Chemische Stoffen
cas number: 117-84-0
inchikey: MQIUGAXCHLFZKX-UHFFFAOYSA-N
smiles: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
broader: CHEMONTID_0001350
cas number: 68515-43-5
notation: DC8yFt
type: Concept
cas number: 8031-29-6
formula: C24H38O4
alternative label: di-n-octylftalaat
iupac name: dioctyl benzene-1,2-dicarboxylate @en
type: ChemicalCompound
type: ChemicalSubstance

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

ofloxacine
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)
type: ChemicalCompound
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
type: ChemicalSubstance
cas number: 83380-47-6
cas number: 85344-55-4
notation: ofxcne
in scheme: Conceptschema Chemische Stoffen
pubchem: 4583
formula: C18H20FN3O4
type: Concept
broader: CHEMONTID_0002552
inchikey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N
cas number: 82419-36-1

4-methylindol
pubchem: 85282
type: ChemicalSubstance
type: ChemicalCompound
cas number: 16096-32-5
formula: C9H9N
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C2C=CNC2=CC=C1
inchikey: PZOUSPYUWWUPPK-UHFFFAOYSA-N
iupac name: 4-methyl-1H-indole @en
type: Concept
inchi: InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3
broader: CHEMONTID_0002497
notation: 4C1yidl

benzocaine
smiles: CCOC(=O)C1=CC=C(C=C1)N
notation: benzcine
pubchem: 2337
cas number: 71123-91-6
broader: CHEMONTID_0001350
cas number: 94-09-7
iupac name: Ethyl 4-aminobenzoate @en
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: BLFLLBZGZJTVJG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C9H11NO2
inchi: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3

dicamba
cas number: 62610-39-3
type: ChemicalCompound
smiles: COC1=C(C=CC(=C1C(=O)O)Cl)Cl
cas number: 1918-00-9
formula: C8H6Cl2O3
in scheme: Conceptschema Chemische Stoffen
inchikey: IWEDIXLBFLAXBO-UHFFFAOYSA-N
type: ChemicalSubstance
notation: Dcba
pubchem: 3030
type: Concept
iupac name: 3,6-Dichloro-2-methoxybenzoic acid @en
broader: CHEMONTID_0002345
inchi: InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)

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

ruthenium 103
inchi: InChI=1S/Ru/i1+2
pubchem: 104749
inchikey: KJTLSVCANCCWHF-NJFSPNSNSA-N
type: Concept
iupac name: ruthenium-103 @en
type: ChemicalSubstance
notation: Ru103
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 13968-53-1
broader: CHEMONTID_0000426
formula: Ru
smiles: [Ru]

thifensulfuron
type: Concept
iupac name: 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid @en
broader: CHEMONTID_0004706
notation: thifsfrn
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)
cas number: 79277-67-1
inchikey: LOQQVLXUKHKNIA-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 91729

1-decanol
type: ChemicalCompound
inchikey: MWKFXSUHUHTGQN-UHFFFAOYSA-N
cas number: 70084-71-8
notation: 1C10ol
type: ChemicalSubstance
iupac name: DECAN-1-OL @en
inchi: InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
cas number: 85566-12-7
broader: CHEMONTID_0001334
smiles: CCCCCCCCCCO
pubchem: 8174
cas number: 36729-58-5
formula: C10H22O
type: Concept
cas number: 118374-94-0
in scheme: Conceptschema Chemische Stoffen
cas number: 66455-17-2
cas number: 112-30-1

tetrachloorftaalzuur
formula: C8H2Cl4O4
iupac name: 3,4,5,6-tetrachlorophthalic acid @en
cas number: 632-58-6
inchikey: WZHHYIOUKQNLQM-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 110471-67-5
notation: tT4ClFtzr
pubchem: 12442
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003097
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)
in scheme: Conceptschema Chemische Stoffen

(1S)-kamfer
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
type: ChemicalCompound
broader: CHEMONTID_0001564
cas number: 464-48-2
smiles: CC1(C2CCC1(C(=O)C2)C)C
inchikey: DSSYKIVIOFKYAU-OMNKOJBGSA-N
formula: C10H16O
pubchem: 10050
type: Concept
type: ChemicalSubstance
alternative label: (1s)-kamfer
in scheme: Conceptschema Chemische Stoffen
notation: 1skamfr
iupac name: (1S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one @en

undecaanzuur
pubchem: 8180
type: ChemicalSubstance
notation: C11azr
inchi: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
broader: CHEMONTID_0003086
cas number: 112-37-8
formula: C11H22O2
type: Concept
smiles: CCCCCCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen
iupac name: Undecanoic acid @en
inchikey: ZDPHROOEEOARMN-UHFFFAOYSA-N
type: ChemicalCompound

2-chloorfenol
notation: 2ClFol
iupac name: 2-Chlorophenol @en
inchi: InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
type: Concept
smiles: C1=CC=C(C(=C1)O)Cl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002771
type: ChemicalCompound
inchikey: ISPYQTSUDJAMAB-UHFFFAOYSA-N
pubchem: 7245
cas number: 95-57-8
formula: C6H5ClO
cas number: 25167-80-0
type: ChemicalSubstance

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

o-desmethylmetoprolol
cas number: 62572-94-5
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
formula: C14H23NO3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000139
type: ChemicalSubstance
type: ChemicalCompound
inchikey: CUKXSBOAIJILRY-UHFFFAOYSA-N
notation: odC1ymtpll
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCO)O
iupac name: 1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
type: Concept
pubchem: 162181

2-amino-5-chloor-4-methylbenzeensulfonzuur
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)
in scheme: Conceptschema Chemische Stoffen
inchikey: VYZCFAPUHSSYCC-UHFFFAOYSA-N
cas number: 88-53-9
type: ChemicalSubstance
iupac name: 2-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID @en
broader: CHEMONTID_0003278
type: Concept
formula: C7H8ClNO3S
type: ChemicalCompound
notation: 2Ao5Cl4C1yBe
pubchem: 6936
smiles: CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N

amiodarone
type: Concept
type: ChemicalSubstance
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
notation: amodne
type: ChemicalCompound
iupac name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone @en
pubchem: 2157
cas number: 1951-25-3
inchikey: IYIKLHRQXLHMJQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C25H29I2NO3
broader: CHEMONTID_0004297

cefixim
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 5362065
type: ChemicalSubstance
notation: cefxm
broader: CHEMONTID_0000173
inchikey: OKBVVJOGVLARMR-QSWIMTSFSA-N
formula: C16H15N5O7S2
cas number: 79350-37-1
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

diisotridecylftalaat
alternative label: C13-rijk di-C11-14-vertakt alkylftalaat
cas number: 68515-47-9
in scheme: Conceptschema Chemische Stoffen
notation: C13D1114akFt
cas number: 27253-26-5
inchikey: BCSGAWBQJHXXSE-UHFFFAOYSA-N
pubchem: 161559
broader: CHEMONTID_0001350
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
type: ChemicalCompound
type: Concept
formula: C34H58O4
type: ChemicalSubstance
iupac name: bis(11-methyldodecyl) benzene-1,2-dicarboxylate @en
notation: DiC13yFt

foraat
smiles: CCOP(=S)(OCC)SCSCC
type: ChemicalCompound
iupac name: diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidenephosphorane @en
inchikey: BULVZWIRKLYCBC-UHFFFAOYSA-N
cas number: 298-02-2
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
type: ChemicalSubstance
pubchem: 4790
formula: C7H17O2PS3
notation: fort
broader: CHEMONTID_0004164

broomtrichloormethaan
type: Concept
type: ChemicalCompound
notation: BrTClC1a
formula: CBrCl3
iupac name: bromo-trichloromethane @en
smiles: C(Cl)(Cl)(Cl)Br
inchikey: XNNQFQFUQLJSQT-UHFFFAOYSA-N
broader: CHEMONTID_0004157
cas number: 75-62-7
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 6383
inchi: InChI=1S/CBrCl3/c2-1(3,4)5

d-carvon
in scheme: Conceptschema Chemische Stoffen
pubchem: 16724
broader: CHEMONTID_0001401
inchikey: ULDHMXUKGWMISQ-VIFPVBQESA-N
iupac name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one @en
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
notation: dcarvn
formula: C10H14O
type: ChemicalSubstance
cas number: 2244-16-8
cas number: 53763-73-8
type: Concept
smiles: CC1=CCC(CC1=O)C(=C)C
type: ChemicalCompound

5-nitro-ortho-anisidine
in scheme: Conceptschema Chemische Stoffen
formula: C7H8N2O3
cas number: 99-59-2
inchi: InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3
type: ChemicalSubstance
broader: CHEMONTID_0004671
smiles: COC1=C(C=C(C=C1)[N+](=O)[O-])N
iupac name: 2-Methoxy-5-nitroaniline @en
cas number: 52756-54-4
inchikey: NIPDVSLAMPAWTP-UHFFFAOYSA-N
notation: 5NO2oansdne
type: ChemicalCompound
pubchem: 7447
type: Concept

1,4-dioxaan
comment: VLAR II bijl. 4.4.2
is referenced by: LUC IV 011
smiles: C1COCCO1
broader: CHEMONTID_0001313
type: ChemicalCompound
iupac name: 1,4-Dioxane @en
cas number: 39449-24-6
inchikey: RYHBNJHYFVUHQT-UHFFFAOYSA-N
type: Concept
is referenced by: LUC IV 008
cas number: 54841-74-6
cas number: 123-91-1
is referenced by: LUC IV 000
cas number: 28347-88-8
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
notation: 14DOxan
formula: C4H8O2
cas number: 28347-91-3
pubchem: 31275
type: ChemicalSubstance

1,3-dichloorbenzeen
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
cas number: 63697-17-6
cas number: 541-73-1
notation: 13DClBen
type: ChemicalSubstance
iupac name: 1,3-Dichlorobenzene @en
smiles: C1=CC(=CC(=C1)Cl)Cl
pubchem: 10943
inchi: InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
type: Concept
formula: C6H4Cl2
type: ChemicalCompound
inchikey: ZPQOPVIELGIULI-UHFFFAOYSA-N

meprobamaat
inchikey: NPPQSCRMBWNHMW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
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)
cas number: 57-53-4
notation: mepbmt
iupac name: [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate @en
type: ChemicalCompound
formula: C9H18N2O4
pubchem: 4064
type: Concept
broader: CHEMONTID_0001162
type: ChemicalSubstance
smiles: CCCC(C)(COC(=O)N)COC(=O)N

nicotine
iupac name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine @en
inchikey: SNICXCGAKADSCV-JTQLQIEISA-N
type: Concept
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
formula: C10H14N2
smiles: CN1CCCC1C2=CN=CC=C2
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: nictne
broader: CHEMONTID_0001975
type: ChemicalSubstance
cas number: 54-11-5
pubchem: 89594

technetium
inchikey: GKLVYJBZJHMRIY-UHFFFAOYSA-N
type: Concept
cas number: 7440-26-8
pubchem: 23957
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
formula: Tc
inchi: InChI=1S/Tc
type: ChemicalCompound
iupac name: technetium @en
smiles: [Tc]
notation: Tc
type: ChemicalSubstance

bismut
type: Concept
cas number: 24267-48-9
type: ChemicalCompound
type: ChemicalSubstance
cas number: 17000-07-6
cas number: 25243-76-9
formula: Bi
iupac name: BISMUTH @en
cas number: 7440-69-9
in scheme: Conceptschema Chemische Stoffen
notation: Bi
inchikey: JCXGWMGPZLAOME-UHFFFAOYSA-N
pubchem: 5359367
smiles: [Bi]
inchi: InChI=1S/Bi
broader: CHEMONTID_0000427

glucose
cas number: 10257-28-0
cas number: 26655-34-5
inchi: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
inchikey: WQZGKKKJIJFFOK-UHFFFAOYSA-N
cas number: 579-36-2
cas number: 921-60-8
cas number: 6038-51-3
cas number: 3458-28-4
smiles: C(C1C(C(C(C(O1)O)O)O)O)O
notation: glucse
broader: CHEMONTID_0001498
cas number: 50-99-7
cas number: 59-23-4
iupac name: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol @en
cas number: 39392-65-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 206
formula: C6H12O6
cas number: 2280-44-6
type: ChemicalSubstance
type: Concept
type: ChemicalCompound

2,5-dimethyl-1,4-dioxaan
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C6H12O2
notation: 25DC1y14DOxa
inchikey: AWBIJARKDOFDAN-UHFFFAOYSA-N
inchi: InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3
broader: CHEMONTID_0001313
cas number: 1331-15-3
cas number: 25136-55-4
type: Concept
type: ChemicalSubstance
smiles: CC1COC(CO1)C
cas number: 15176-21-3
iupac name: 2,5-dimethyl-1,4-dioxane @en
pubchem: 32803

2,4'-dichloordifenyldichlooretheen
pubchem: 246598
type: ChemicalSubstance
type: Concept
alternative label: op'dichloordifenyldichlooretheen
type: ChemicalCompound
alternative label: o,p’-dde
broader: CHEMONTID_0000369
formula: C14H8Cl4
inchikey: ZDYJWDIWLRZXDB-UHFFFAOYSA-N
cas number: 3424-82-6
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethenyl]benzene @en
notation: 24DDE
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

dimethylisoftalaat
type: ChemicalSubstance
cas number: 1459-93-4
broader: CHEMONTID_0004010
iupac name: dimethyl benzene-1,3-dicarboxylate @en
inchi: InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
formula: C10H10O4
pubchem: 15088
in scheme: Conceptschema Chemische Stoffen
inchikey: VNGOYPQMJFJDLV-UHFFFAOYSA-N
notation: DC1yiFt
smiles: COC(=O)C1=CC(=CC=C1)C(=O)OC
type: Concept
type: ChemicalCompound

tetrabroomdifenylether
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
broader: CHEMONTID_0001845
formula: C12H6Br4O
pubchem: 38386
type: ChemicalSubstance
cas number: 40088-47-9
type: ChemicalCompound
cas number: 115633-92-6
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br
type: Concept
cas number: 82458-12-6
inchikey: ARERIMFZYPFJAV-UHFFFAOYSA-N

3-hydroxycarbofuran
type: ChemicalSubstance
inchikey: RHSUJRQZTQNSLL-UHFFFAOYSA-N
broader: CHEMONTID_0004189
in scheme: Conceptschema Chemische Stoffen
smiles: CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
type: Concept
cas number: 16655-82-6
iupac name: (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate @en
pubchem: 27975
type: ChemicalCompound
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)
formula: C12H15NO4
notation: 3HOxcbfrn

levofloxacine
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 3033924
type: ChemicalCompound
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
inchikey: SUIQUYDRLGGZOL-RCWTXCDDSA-N
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
formula: C36H42F2N6O9
type: Concept
cas number: 100986-85-4
notation: levfxcne
broader: CHEMONTID_0002552
cas number: 138199-71-0

2-methyl-2 propenal
cas number: 78-85-3
type: ChemicalSubstance
iupac name: 2-methylprop-2-enal @en
formula: C4H6O
notation: 2Cy12C3eal
smiles: CC(=C)C=O
type: Concept
broader: CHEMONTID_0002436
pubchem: 6562
type: ChemicalCompound
inchikey: STNJBCKSHOAVAJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3

2-nitropropaan
cas number: 104306-46-9
type: ChemicalSubstance
inchikey: FGLBSLMDCBOPQK-UHFFFAOYSA-N
broader: CHEMONTID_0004117
smiles: CC(C)[N+](=O)[O-]
in scheme: Conceptschema Chemische Stoffen
pubchem: 398
notation: 2NO2C3a
formula: C3H7NO2
type: Concept
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
type: ChemicalCompound
cas number: 79-46-9

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

17-alfa-ethinylestradiol
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003570
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
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
formula: C20H24O2
type: ChemicalCompound
cas number: 57-63-6
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
cas number: 77538-56-8
inchikey: BFPYWIDHMRZLRN-SLHNCBLASA-N
type: ChemicalSubstance
notation: etnetDol
pubchem: 5991
alternative label: ethinylestradiol

hexyleen glycol
pubchem: 7870
cas number: 99113-75-4
notation: C6yegcl
cas number: 107-41-5
type: ChemicalCompound
broader: CHEMONTID_0001670
type: Concept
formula: C6H14O2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
inchikey: SVTBMSDMJJWYQN-UHFFFAOYSA-N
smiles: CC(CC(C)(C)O)O
type: ChemicalSubstance
iupac name: 2-Methylpentane-2,4-diol @en

cadmium
comment: VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'
definition: cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)
is referenced by: LUC I 002
iupac name: cadmium(+2) cation @en
cas number: 22537-48-0
type: ChemicalSubstance
type: Concept
comment: VLAR II (D2) 'cadmium'
inchikey: WLZRMCYVCSSEQC-UHFFFAOYSA-N
smiles: [Cd+2]
inchi: InChI=1S/Cd/q+2
comment: VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'
in scheme: Conceptschema Chemische Stoffen
pubchem: 31193
formula: Cd+2
comment: VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'
comment: VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'
type: ChemicalCompound
broader: CHEMONTID_0000426
is referenced by: LUC III 010
notation: Cd
alternative label: Cadmium (Cd)
comment: VLAR III (D3, diverse art) 'Cd'
comment: VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)
cas number: 7440-43-9

Perfluor-n-tridecaansulfonzuur
type: ChemicalCompound
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)
type: Concept
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
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
inchikey: JMIXTHMPTMXARZ-UHFFFAOYSA-N
notation: PFTrDS
type: ChemicalSubstance
pubchem: 21964789
cas number: 791563-89-8
formula: C13HF27O3S

trans-geranylaceton
cas number: 689-67-8
broader: CHEMONTID_0001127
cas number: 3796-70-1
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+
in scheme: Conceptschema Chemische Stoffen
formula: C13H22O
cas number: 68228-05-7
iupac name: ['(5E)-6,10-dimethylundeca-5,9-dien-2-one', '6,10-Dimethylundeca-5,9-dien-2-one'] @en
type: ChemicalSubstance
pubchem: 1549778
type: ChemicalCompound
inchikey: HNZUNIKWNYHEJJ-FMIVXFBMSA-N
notation: tganactn
type: Concept
smiles: CC(=CCCC(=CCCC(=O)C)C)C

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

glyfosaat
smiles: C(C(=O)O)NCP(=O)(O)O
formula: C3H8NO5P
is referenced by: WAC IV A 029
broader: CHEMONTID_0000060
type: ChemicalSubstance
inchi: InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
cas number: 1071-83-6
in scheme: Conceptschema Chemische Stoffen
inchikey: XDDAORKBJWWYJS-UHFFFAOYSA-N
pubchem: 3496
notation: glyfst
type: Concept
type: ChemicalCompound
iupac name: 2-(phosphonomethylamino)acetic acid @en
cas number: 40465-66-5

thallium
comment: VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'
definition: thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)
cas number: 82870-81-3
inchi: InChI=1S/Tl
comment: VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'
comment: VLAR III (D3, diverse art) 'Tl'
cas number: 113835-49-7
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC I 002
pubchem: 5359464
cas number: 7440-28-0
comment: VLAR II bijl. 2.5.2 'thallium'
type: ChemicalSubstance
notation: Tl
iupac name: THALLIUM @en
broader: CHEMONTID_0000427
is referenced by: LUC III 010
smiles: [Tl]
type: ChemicalCompound
inchikey: BKVIYDNLLOSFOA-UHFFFAOYSA-N
comment: VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)
formula: Tl
type: Concept

fluazifop-butyl
inchikey: VAIZTNZGPYBOGF-UHFFFAOYSA-N
cas number: 69806-50-4
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
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004677
cas number: 86334-14-7
type: ChemicalSubstance
iupac name: butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
formula: C19H20F3NO4
notation: fluazfC4y
type: ChemicalCompound
pubchem: 50897
type: Concept

thiofanaat-methyl
smiles: COC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OC)S)S
iupac name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate @en
type: ChemicalCompound
notation: tofnC1y
type: ChemicalSubstance
type: Concept
cas number: 50814-12-5
in scheme: Conceptschema Chemische Stoffen
inchikey: QGHREAKMXXNCOA-UHFFFAOYSA-N
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)
cas number: 23564-05-8
pubchem: 3085
broader: CHEMONTID_0002279

sulfadimethoxine
iupac name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide @en
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)
type: ChemicalSubstance
cas number: 122-11-2
broader: CHEMONTID_0001925
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: ZZORFUFYDOWNEF-UHFFFAOYSA-N
type: Concept
notation: sulfdmtoxne
pubchem: 5323

technetium 96
type: ChemicalSubstance
type: Concept
cas number: 14808-44-7
smiles: [Tc]
broader: CHEMONTID_0000426
formula: Tc
type: ChemicalCompound
pubchem: 167171
inchi: InChI=1S/Tc/i1-2
iupac name: technetium-96 @en
in scheme: Conceptschema Chemische Stoffen
inchikey: GKLVYJBZJHMRIY-YPZZEJLDSA-N
notation: Tc96

4-methylcarbazol
type: ChemicalSubstance
iupac name: 4-Methyl-9H-carbazole @en
type: ChemicalCompound
pubchem: 19591
in scheme: Conceptschema Chemische Stoffen
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
smiles: CC1=C2C3=CC=CC=C3NC2=CC=C1
broader: CHEMONTID_0000210
cas number: 3770-48-7
type: Concept
notation: 4C1ycarbzl
inchikey: GNPUIRFDBYALRI-UHFFFAOYSA-N
formula: C13H11N

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

2,4-xylidine
formula: C8H11N
pubchem: 7250
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
cas number: 95-68-1
iupac name: 2,4-Dimethylaniline @en
inchikey: CZZZABOKJQXEBO-UHFFFAOYSA-N
broader: CHEMONTID_0004209
type: ChemicalCompound
type: Concept
smiles: CC1=CC(=C(C=C1)N)C
notation: 24xyldne

iso-amylacetaat
inchikey: MLFHJEHSLIIPHL-UHFFFAOYSA-N
smiles: CC(C)CCOC(=O)C
type: ChemicalSubstance
broader: CHEMONTID_0001238
pubchem: 31276
iupac name: 3-Methylbutyl acetate @en
inchi: InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
notation: iamactt
cas number: 123-92-2
type: ChemicalCompound
cas number: 29732-50-1
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C7H14O2

perfluor-4-ethylcyclohexaansulfonzuur
in scheme: Conceptschema Chemische Stoffen
pubchem: 101650
notation: PFECHS
cas number: 646-83-3
formula: C8HF15O3S
type: ChemicalCompound
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)
inchikey: ICKAEAFPESRWOT-UHFFFAOYSA-N
type: Concept
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
broader: CHEMONTID_0004485
type: ChemicalSubstance

4-chloor-3-nitrotolueen
pubchem: 6976
type: ChemicalSubstance
smiles: CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
broader: CHEMONTID_0000036
type: ChemicalCompound
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
inchikey: NWESJZZPAJGHRZ-UHFFFAOYSA-N
notation: 4Cl3NO2Tol
cas number: 89-60-1
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-Chloro-4-methyl-2-nitrobenzene @en

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

3-chloorfenol
notation: 3ClFol
inchi: InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
type: ChemicalSubstance
cas number: 108-43-0
pubchem: 7933
type: ChemicalCompound
smiles: C1=CC(=CC(=C1)Cl)O
in scheme: Conceptschema Chemische Stoffen
formula: C6H5ClO
type: Concept
iupac name: 3-Chlorophenol @en
broader: CHEMONTID_0002770
inchikey: HORNXRXVQWOLPJ-UHFFFAOYSA-N

benzonitril
type: Concept
type: ChemicalCompound
formula: C7H5N
broader: CHEMONTID_0001530
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 7505
cas number: 100-47-0
smiles: C1=CC=C(C=C1)C#N
iupac name: Benzonitrile @en
notation: benzntl
inchi: InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
inchikey: JFDZBHWFFUWGJE-UHFFFAOYSA-N

cholesterol
pubchem: 5997
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
formula: C27H46O
type: ChemicalSubstance
broader: CHEMONTID_0001469
cas number: 22243-67-0
in scheme: Conceptschema Chemische Stoffen
cas number: 209124-38-9
notation: cholEsrol
inchikey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
cas number: 218965-24-3
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
cas number: 80356-14-5
cas number: 57-88-5
type: Concept
type: ChemicalCompound

valeriaanzuur
inchi: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
pubchem: 7991
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000333
type: Concept
formula: C5H10O2
iupac name: Pentanoic acid @en
notation: valrazr
inchikey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 12124-87-7
type: ChemicalCompound
smiles: CCCCC(=O)O
cas number: 109-52-4

europium
inchi: InChI=1S/Eu
cas number: 110123-53-0
pubchem: 23981
formula: Eu
smiles: [Eu]
notation: Eu
type: Concept
cas number: 7440-53-1
type: ChemicalSubstance
broader: CHEMONTID_0000429
inchikey: OGPBJKLSAFTDLK-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: EUROPIUM @en
in scheme: Conceptschema Chemische Stoffen

thifensulfuron-methyl
broader: CHEMONTID_0002017
inchikey: AHTPATJNIAFOLR-UHFFFAOYSA-N
formula: C12H13N5O6S2
type: Concept
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)
type: ChemicalCompound
cas number: 79277-27-3
type: ChemicalSubstance
notation: thifsfrnC1y
in scheme: Conceptschema Chemische Stoffen
pubchem: 73674
iupac name: methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate @en

framycetine
cas number: 11025-81-3
pubchem: 8378
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
cas number: 119-04-0
broader: CHEMONTID_0003573
cas number: 1393-86-8
formula: C23H46N6O13
type: ChemicalSubstance
inchikey: PGBHMTALBVVCIT-VCIWKGPPSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: framctne
type: ChemicalCompound

trioctylfosfaat
cas number: 5406-92-8
formula: C24H51O3P
type: Concept
notation: TC8yPO4
cas number: 51845-93-3
in scheme: Conceptschema Chemische Stoffen
iupac name: tris(6-methylheptyl) phosphite @en
type: ChemicalCompound
cas number: 25103-12-2
smiles: CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C
broader: CHEMONTID_0004484
pubchem: 90714
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
inchikey: DECPGQLXYYCNEZ-UHFFFAOYSA-N
type: ChemicalSubstance

tetrahydrocannabinol
in scheme: Conceptschema Chemische Stoffen
cas number: 1972-08-3
notation: Thcannbnl
type: Concept
inchikey: CYQFCXCEBYINGO-IAGOWNOFSA-N
type: ChemicalSubstance
formula: C21H30O2
type: ChemicalCompound
cas number: 5957-27-7
broader: CHEMONTID_0003522
iupac name: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol @en
cas number: 14146-29-3
cas number: 26108-45-2
cas number: 14146-43-1
cas number: 1363-19-5
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
cas number: 6465-30-1
pubchem: 16078

2,5-dimethylbenzeenesulfonzuur
inchikey: IRLYGRLEBKCYPY-UHFFFAOYSA-N
notation: 25DC1yBensfz
type: ChemicalCompound
pubchem: 11868
formula: C8H10O3S
type: ChemicalSubstance
smiles: CC1=CC(=C(C=C1)C)S(=O)(=O)O
cas number: 81789-92-6
cas number: 609-54-1
broader: CHEMONTID_0000032
iupac name: 2,5-DIMETHYLBENZENESULFONIC ACID @en
in scheme: Conceptschema Chemische Stoffen
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)
type: Concept

Kobalt
is referenced by: LUC III 010
cas number: 16610-75-6
type: Concept
broader: CHEMONTID_0000426
is referenced by: LUC I 002
comment: VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'
definition: kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)
notation: Co
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 7440-48-4
inchi: InChI=1S/Co
comment: VLAR III (D3) 'Kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'
pubchem: 104730
comment: VLAR III (D3, diverse art) 'Co'
iupac name: Cobalt @en
smiles: [Co]
inchikey: GUTLYIVDDKVIGB-UHFFFAOYSA-N
comment: VLAR II bijl. 4.4.2 'kobalt en zijn verbindingen, uitgedrukt in Co'
alternative label: kobalt
formula: Co
type: ChemicalCompound
alternative label: kobalt (Co)

broometheen
cas number: 593-60-2
type: Concept
iupac name: Bromoethene @en
pubchem: 11641
smiles: C=CBr
inchi: InChI=1S/C2H3Br/c1-2-3/h2H,1H2
type: ChemicalSubstance
type: ChemicalCompound
notation: BrC2e
cas number: 25951-54-6
inchikey: INLLPKCGLOXCIV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C2H3Br
broader: CHEMONTID_0002864

3-methyl-1,2-cyclopentaandion
inchikey: OACYKCIZDVVNJL-UHFFFAOYSA-N
broader: CHEMONTID_0003487
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
notation: 3C1y12ccC5aD
formula: C6H8O2
cas number: 79299-96-0
iupac name: 3-Methylcyclopentane-1,2-dione @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 765-70-8
smiles: CC1CCC(=O)C1=O
pubchem: 61209

2,3',4,4',5-pentachloorbifenyl
is referenced by: LUC VI 002
cas number: 31508-00-6
is referenced by: CMA 3 I
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
comment: VLAR III (D3) 'dioxineachtige PCB's'
type: ChemicalSubstance
alternative label: PCB 118
alternative label: 2,3',4,4',5-pentachloorbifenyl (pcb118)
type: ChemicalCompound
pubchem: 35823
formula: C12H5Cl5
broader: CHEMONTID_0003030
inchikey: IUTPYMGCWINGEY-UHFFFAOYSA-N
type: Concept
iupac name: 1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene @en
alternative label: pcb 118
notation: PCB118
in scheme: Conceptschema Chemische Stoffen

2-broom-1-(4-hydroxyfenyl)ethaan-1-on
inchikey: LJYOFQHKEWTQRH-UHFFFAOYSA-N
formula: C8H7BrO2
notation: 2Br14HOFyC2a
iupac name: 2-bromo-1-(4-hydroxyphenyl)ethanone @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 2491-38-5
type: Concept
inchi: InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2
pubchem: 4964
type: ChemicalCompound
broader: CHEMONTID_0004298
smiles: C1=CC(=CC=C1C(=O)CBr)O

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

azinfos-methyl
pubchem: 2268
type: ChemicalCompound
cas number: 54182-73-9
cas number: 86-50-0
notation: C1yazfs
alternative label: methylazinfos
formula: C10H12N3O3PS2
inchikey: CJJOSEISRRTUQB-UHFFFAOYSA-N
type: ChemicalSubstance
smiles: COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1
type: Concept
broader: CHEMONTID_0004660
in scheme: Conceptschema Chemische Stoffen

irgarol
alternative label: cybutryne
notation: irgrl
cas number: 28159-98-0
inchikey: HDHLIWCXDDZUFH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 91590
smiles: CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC
type: ChemicalSubstance
broader: CHEMONTID_0004735
type: Concept
iupac name: N-tert-butyl-N'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine @en
alternative label: cybutrine
type: ChemicalCompound
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)

1,2,3-trichloorpropeen
type: ChemicalCompound
cas number: 13116-57-9
inchikey: HIILBTHBHCLUER-IWQZZHSRSA-N
cas number: 96-19-5
formula: C3H3Cl3
in scheme: Conceptschema Chemische Stoffen
notation: 123TClC3e
type: Concept
broader: CHEMONTID_0002863
smiles: C(C(=CCl)Cl)Cl
iupac name: ['(Z)-1,2,3-trichloroprop-1-ene', '1,2,3-trichloroprop-1-ene'] @en
inchi: InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-
type: ChemicalSubstance
pubchem: 5370144

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

broomchloorazijnzuur
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
inchikey: GEHJBWKLJVFKPS-UHFFFAOYSA-N
formula: C2H2BrClO2
pubchem: 542762
smiles: C(C(=O)O)(Cl)Br
iupac name: 2-bromo-2-chloroacetic acid @en
notation: BrClHAc
type: ChemicalSubstance
cas number: 5589-96-8
inchi: InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)
broader: CHEMONTID_0003000

diosgenin
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
inchikey: WQLVFSAGQJTQCK-VKROHFNGSA-N
type: Concept
notation: diognn
formula: C27H42O3
cas number: 512-04-9
broader: CHEMONTID_0001553
type: ChemicalCompound
type: ChemicalSubstance
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
in scheme: Conceptschema Chemische Stoffen
pubchem: 99474

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

fenitrothion
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-]
type: ChemicalCompound
type: ChemicalSubstance
cas number: 12764-87-3
notation: feNO2ton
iupac name: dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidenephosphorane @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 31200
formula: C9H12NO5PS
cas number: 54182-70-6
broader: CHEMONTID_0004748
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
cas number: 122-14-5
inchikey: ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
cas number: 94650-98-3

prednisolon
type: ChemicalCompound
cas number: 50-24-8
formula: C21H28O5
cas number: 58201-11-9
type: ChemicalSubstance
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
inchikey: OIGNJSKKLXVSLS-VWUMJDOOSA-N
pubchem: 5755
notation: prednsln
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 8056-11-9
broader: CHEMONTID_0003095
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

4-methyl-2-nitroaniline
broader: CHEMONTID_0000036
inchikey: DLURHXYXQYMPLT-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=C(C=C1)N)[N+](=O)[O-]
pubchem: 6978
notation: 4C1y2NO2An
iupac name: 4-Methyl-2-nitroaniline @en
type: ChemicalCompound
formula: C7H8N2O2
cas number: 89-62-3
inchi: InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3

polyvinylalcohol
cas number: 557-75-5
pubchem: 11199
notation: polvnachl
inchi: InChI=1S/C2H4O/c1-2-3/h2-3H,1H2
formula: C2H4O
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: Ethenol @en
inchikey: IMROMDMJAWUWLK-UHFFFAOYSA-N
cas number: 9002-89-5
type: ChemicalSubstance
broader: CHEMONTID_0000132
type: ChemicalCompound
smiles: C=CO

8-chinolinol
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
pubchem: 1923
cas number: 123574-67-4
cas number: 148-24-3
cas number: 24804-14-6
smiles: C1=CC2=C(C(=C1)O)N=CC=C2
formula: C9H7NO
broader: CHEMONTID_0003953
type: Concept
notation: 8chinlnl
inchikey: MCJGNVYPOGVAJF-UHFFFAOYSA-N
iupac name: quinolin-8-ol @en
type: ChemicalSubstance
type: ChemicalCompound

dibutylisoftalaat
type: ChemicalSubstance
pubchem: 18405
type: ChemicalCompound
notation: DC4yiFt
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
type: Concept
iupac name: dibutyl benzene-1,3-dicarboxylate @en
cas number: 3126-90-7
inchikey: GOPWOUQJIMLDDM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCC
broader: CHEMONTID_0004010
formula: C16H22O4

6:2/8:2 fluortelomerfosfaat diester
type: ChemicalCompound
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)
pubchem: 101536705
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003459
formula: C18H9F30O4P
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
cas number: 943913-15-3
inchikey: KHLRYLUKBJEYFH-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
notation: 6:2/8:2 diPAP

2,6-dichloorfenol
iupac name: 2,6-Dichlorophenol @en
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
inchikey: HOLHYSJJBXSLMV-UHFFFAOYSA-N
notation: 26DClFol
cas number: 87-65-0
formula: C6H4Cl2O
pubchem: 6899
inchi: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
smiles: C1=CC(=C(C(=C1)Cl)O)Cl
type: Concept

malachietgroen-oxalaat
cas number: 2437-29-8
notation: malcgoxlt
pubchem: 2724411
iupac name: [4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium; 2-hydroxy-2-oxoacetate; oxalic acid @en
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: CNYGFPPAGUCRIC-UHFFFAOYSA-L
formula: C52H54N4O12
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
in scheme: Conceptschema Chemische Stoffen
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

bromophos
cas number: 2104-96-3
pubchem: 16422
cas number: 12778-42-6
type: Concept
iupac name: (4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidenephosphorane @en
smiles: COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl
alternative label: bromofos-methyl
type: ChemicalCompound
cas number: 12778-41-5
inchikey: NYQDCVLCJXRDSK-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0004748
formula: C8H8BrCl2O3PS
in scheme: Conceptschema Chemische Stoffen
notation: C1yBrfs
alternative label: methylbromofos

2,3-dimethylbutaan
type: Concept
type: ChemicalSubstance
notation: 23DC1yC4a
type: ChemicalCompound
pubchem: 6589
smiles: CC(C)C(C)C
iupac name: 2,3-Dimethylbutane @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
cas number: 79-29-8
broader: CHEMONTID_0004620
formula: C6H14
inchikey: ZFFMLCVRJBZUDZ-UHFFFAOYSA-N

thidiazuron
type: Concept
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)
pubchem: 40087
broader: CHEMONTID_0001935
inchikey: HFCYZXMHUIHAQI-UHFFFAOYSA-N
formula: C9H8N4OS
notation: thidazrn
cas number: 51707-55-2
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)NC(=O)NC2=CN=NS2
iupac name: 1-phenyl-3-(thiadiazol-5-yl)urea @en
type: ChemicalSubstance

4-methoxybenzaldehyde
type: ChemicalSubstance
notation: 4C1oxbzAh
iupac name: 4-Methoxybenzaldehyde @en
in scheme: Conceptschema Chemische Stoffen
cas number: 26249-15-0
pubchem: 31244
type: ChemicalCompound
cas number: 68894-36-0
inchi: InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
smiles: COC1=CC=C(C=C1)C=O
broader: CHEMONTID_0000321
cas number: 123-11-5
inchikey: ZRSNZINYAWTAHE-UHFFFAOYSA-N
formula: C8H8O2
type: Concept
cas number: 50984-52-6

dimethylether
type: Concept
cas number: 157621-61-9
comment: VLAREM II bijlage 4.4.2
smiles: COC
pubchem: 8254
notation: DC1yEtr
type: ChemicalCompound
cas number: 115-10-6
type: ChemicalSubstance
formula: C2H6O
broader: CHEMONTID_0001167
iupac name: Methoxymethane @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H6O/c1-3-2/h1-2H3
inchikey: LCGLNKUTAGEVQW-UHFFFAOYSA-N

kobalt 57
pubchem: 104851
cas number: 13981-50-5
broader: CHEMONTID_0000426
formula: Co
inchikey: GUTLYIVDDKVIGB-YPZZEJLDSA-N
iupac name: cobalt-57 @en
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: Co57
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Co/i1-2
smiles: [Co]

calciet
inchikey: VTYYLEPIZMXCLO-UHFFFAOYSA-L
cas number: 63660-97-9
smiles: C(=O)([O-])[O-].[Ca+2]
iupac name: Calcium carbonate @en
notation: CaCO3
notation: calct
cas number: 146358-95-4
cas number: 13397-26-7
alternative label: calciumcarbonaat
cas number: 114453-69-9
cas number: 172307-27-6
inchi: InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
cas number: 1317-65-3
cas number: 39454-55-2
type: ChemicalCompound
cas number: 471-34-1
cas number: 72608-12-9
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001521
cas number: 137803-94-2
cas number: 180616-31-3
cas number: 71060-88-3
formula: CCaO3
pubchem: 10112
cas number: 166516-01-4
in scheme: Conceptschema Chemische Stoffen
cas number: 251358-28-8
cas number: 60083-79-6

carbofenothion-methyl
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
notation: carbfntoC1y
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004631
inchikey: OUCCVXVYGFBXSV-UHFFFAOYSA-N
type: Concept
cas number: 953-17-3
pubchem: 13721
formula: C9H12ClO2PS3
smiles: COP(=S)(OC)SCSC1=CC=C(C=C1)Cl
type: ChemicalCompound
type: ChemicalSubstance
iupac name: (4-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidenephosphorane @en

tetracosaanzuur
smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
cas number: 557-59-5
iupac name: Tetracosanoic acid @en
type: ChemicalSubstance
notation: C24azr
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: QZZGJDVWLFXDLK-UHFFFAOYSA-N
broader: CHEMONTID_0002950
pubchem: 11197
formula: C24H48O2
type: Concept

tetratetracontaan
type: Concept
cas number: 7098-22-8
iupac name: TETRATETRACONTANE @en
pubchem: 23494
type: ChemicalCompound
formula: C44H90
type: ChemicalSubstance
broader: CHEMONTID_0002500
notation: C44a
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchikey: KMXFZRSJMDYPPG-UHFFFAOYSA-N

folpet
inchikey: HKIOYBQGHSTUDB-UHFFFAOYSA-N
iupac name: 2-(trichloromethylsulfanyl)isoindole-1,3-dione @en
type: ChemicalSubstance
cas number: 52306-33-9
in scheme: Conceptschema Chemische Stoffen
formula: C9H4Cl3NO2S
notation: folpt
type: Concept
inchi: InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
pubchem: 8607
smiles: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl
cas number: 133-07-3
broader: CHEMONTID_0004749
type: ChemicalCompound

3,3’-dichloorbenzidine
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
alternative label: 3,3'-dichloorbenzidine
inchikey: HUWXDEQWWKGHRV-UHFFFAOYSA-N
cas number: 91-94-1
type: Concept
cas number: 86349-58-8
comment: VLAREM II bijlage 4.4.2
formula: C12H10Cl2N2
broader: CHEMONTID_0003956
notation: 33DClbzdne
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N
iupac name: 4-(4-amino-3-chlorophenyl)-2-chloroaniline @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 7070

6-aminohexaanzuur
in scheme: Conceptschema Chemische Stoffen
notation: 6AoC6azr
cas number: 87867-96-7
type: Concept
cas number: 93208-38-9
iupac name: 6-aminohexanoic acid @en
broader: CHEMONTID_0003086
type: ChemicalSubstance
inchi: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
formula: C6H13NO2
smiles: C(CCC(=O)O)CCN
pubchem: 564
cas number: 60-32-2
cas number: 1319-82-0
type: ChemicalCompound
inchikey: SLXKOJJOQWFEFD-UHFFFAOYSA-N

4-chloor-2,6-dinitroaniline
type: Concept
iupac name: 4-Chloro-2,6-dinitroaniline @en
type: ChemicalSubstance
cas number: 5388-62-5
inchi: InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2
broader: CHEMONTID_0003968
inchikey: CLMQUEQFVUMDPC-UHFFFAOYSA-N
type: ChemicalCompound
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Cl
pubchem: 21484
in scheme: Conceptschema Chemische Stoffen
formula: C6H4ClN3O4
notation: 4Cl26DNO2An

2,6,10-trimethylpentadecaan
inchikey: LBWPYRZGHYVSEL-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C18H38
smiles: CCCCCC(C)CCCC(C)CCCC(C)C
notation: 2610TC1yC15
type: Concept
cas number: 3892-00-0
type: ChemicalCompound
iupac name: 2,6,10-TRIMETHYLPENTADECANE @en
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
pubchem: 19775
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001550

2-(2,4,6-trichloorfenoxy)propion zuur
broader: CHEMONTID_0004676
inchikey: HNDLJIIQWDVRRI-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept
notation: 2246TClfOxpp
formula: C9H7Cl3O3
cas number: 778-83-6
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)
type: ChemicalCompound
iupac name: 2-(2,4,6-trichlorophenoxy)propanoic acid @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 248472
smiles: CC(C(=O)O)OC1=C(C=C(C=C1Cl)Cl)Cl

isopropoxyethanol
inchi: InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
inchikey: HCGFUIQPSOCUHI-UHFFFAOYSA-N
notation: ipropxC2ol
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)OCCO
pubchem: 7996
formula: C5H12O2
type: Concept
broader: CHEMONTID_0001167
cas number: 63992-09-6
iupac name: 2-propan-2-yloxyethanol @en
cas number: 109-59-1

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

sulfamethoxazol
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)
type: ChemicalCompound
type: Concept
notation: sulfmtoazl
in scheme: Conceptschema Chemische Stoffen
formula: C10H11N3O3S
smiles: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
broader: CHEMONTID_0001925
inchikey: JLKIGFTWXXRPMT-UHFFFAOYSA-N
pubchem: 5329
iupac name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide @en
type: ChemicalSubstance
cas number: 723-46-6
cas number: 129378-89-8

6:2 fluortelomeerfosfaat monoester
cas number: 57678-01-0
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate @en
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)
notation: 6:2 PAP
formula: C8H6F13O4P
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 14250578
broader: CHEMONTID_0003458
inchikey: FZTRDYSPWWJCOF-UHFFFAOYSA-N
type: ChemicalCompound

1,4-butaandiamine
inchikey: KIDHWZJUCRJVML-UHFFFAOYSA-N
notation: 14C4aDAe
cas number: 1071-98-3
iupac name: ['butane-1,4-diamine', 'but-2-ynedinitrile'] @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 1045
type: ChemicalSubstance
formula: C4H12N2
broader: CHEMONTID_0000469
smiles: C(CCN)CN
cas number: 110-60-1
inchi: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2

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

pyrazol
inchikey: WTKZEGDFNFYCGP-UHFFFAOYSA-N
broader: CHEMONTID_0000087
in scheme: Conceptschema Chemische Stoffen
iupac name: 1H-Pyrazole @en
notation: pyrzl
type: Concept
pubchem: 1048
cas number: 288-13-1
cas number: 116421-36-4
formula: C3H4N2
cas number: 53153-43-8
type: ChemicalCompound
inchi: InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
type: ChemicalSubstance
smiles: C1=CNN=C1

dimethipin
cas number: 55290-64-7
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: PHVNLLCAQHGNKU-UHFFFAOYSA-N
formula: C6H10O4S2
type: ChemicalCompound
pubchem: 41385
smiles: CC1=C(S(=O)(=O)CCS1(=O)=O)C
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
broader: CHEMONTID_0000505
type: ChemicalSubstance
notation: Dmtpn

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

calciumchloride
cas number: 10043-52-4
pubchem: 24854
cas number: 14639-81-7
inchikey: UXVMQQNJUSDDNG-UHFFFAOYSA-L
cas number: 139468-93-2
inchi: InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
broader: CHEMONTID_0000568
type: ChemicalSubstance
type: ChemicalCompound
formula: CaCl2
notation: CaCl2
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: Calcium dichloride @en
smiles: [Cl-].[Cl-].[Ca+2]

paraquat-dichloride
cas number: 136338-65-3
cas number: 57593-74-5
type: ChemicalCompound
cas number: 65982-50-5
pubchem: 15938
broader: CHEMONTID_0000326
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
type: ChemicalSubstance
formula: C12H14Cl2N2
cas number: 1910-42-5
type: Concept
notation: pqtDCl
cas number: 247050-57-3
iupac name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride @en
cas number: 3765-78-4
in scheme: Conceptschema Chemische Stoffen
smiles: C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]
cas number: 205105-68-6
inchikey: FIKAKWIAUPDISJ-UHFFFAOYSA-L

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

milbemycin A3
notation: milbmcA3
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
type: ChemicalCompound
pubchem: 6436638
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
broader: CHEMONTID_0002902
formula: C31H44O7
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 51596-10-2
alternative label: milbemycin a3
type: ChemicalSubstance
inchikey: ZLBGSRMUSVULIE-SJRQICMCSA-N

milbemycin A4
alternative label: milbemycin a4
type: Concept
type: ChemicalCompound
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
cas number: 51596-11-3
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
broader: CHEMONTID_0002902
inchikey: VOZIAWLUULBIPN-DFYAAVTESA-N
in scheme: Conceptschema Chemische Stoffen
notation: milbmcA4
pubchem: 6436669
type: ChemicalSubstance
formula: C32H46O7

clindamycine, waterstofchloride
broader: CHEMONTID_0002205
type: ChemicalSubstance
pubchem: 441204
type: Concept
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
inchikey: AUODDLQVRAJAJM-GQYOKNPUSA-N
formula: C18H34Cl2N2O5S
cas number: 21462-39-5

2-chlooracetofenon
smiles: C1=CC=C(C=C1)C(=O)CCl
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 532-27-4
inchikey: IMACFCSSMIZSPP-UHFFFAOYSA-N
notation: 2Clactfnn
inchi: InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
pubchem: 10757
formula: C8H7ClO
iupac name: 2-Chloro-1-phenylethanone @en
broader: CHEMONTID_0004298
type: ChemicalCompound

1,2,3,4,6,7,8-heptachloordibenzo-para-dioxine
alternative label: 1,2,3,4,6,7,8-heptachloordibenzodioxine
iupac name: 1,2,3,4,6,7,8-heptachlorooxanthrene @en
type: Concept
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
alternative label: 1,2,3,4,6,7,8-heptachloordibenzo-p-dioxine
cas number: 35822-46-9
notation: PCDD73
broader: CHEMONTID_0000420
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
in scheme: Conceptschema Chemische Stoffen
inchikey: WCLNVRQZUKYVAI-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 37270
comment: VLAR II+ bijlagen
type: ChemicalSubstance
alternative label: 1,2,3,4,6,7,8-heptachloordibenzodioxine (hpcdd)
is referenced by: LUC VI 002
formula: C12HCl7O2

1,3-benzothiazool-2-sulfonzuur
in scheme: Conceptschema Chemische Stoffen
pubchem: 30647
iupac name: 1,3-benzothiazole-2-sulfonic acid @en
cas number: 941-57-1
formula: C7H5NO3S2
type: ChemicalCompound
broader: CHEMONTID_0000311
inchikey: ZCXGMSGCBDSEOY-UHFFFAOYSA-N
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)
notation: 13benztaz2sf
type: Concept
type: ChemicalSubstance
smiles: C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O

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

d-limoneen
smiles: CC1=CCC(CC1)C(=C)C
type: Concept
notation: dlimnn
broader: CHEMONTID_0001401
cas number: 5989-27-5
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
in scheme: Conceptschema Chemische Stoffen
pubchem: 440917
inchikey: XMGQYMWWDOXHJM-JTQLQIEISA-N
iupac name: (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene @en
type: ChemicalCompound
type: ChemicalSubstance
formula: C10H16

4-methylnonaan
type: ChemicalSubstance
pubchem: 28455
iupac name: 4-METHYLNONANE @en
type: ChemicalCompound
inchikey: IALRSQMWHFKJJA-UHFFFAOYSA-N
formula: C10H22
inchi: InChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3
smiles: CCCCCC(C)CCC
notation: 4C1yC9a
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004620
cas number: 17301-94-9
type: Concept

tris(2-ethylhexyl)fosfaat
type: ChemicalSubstance
inchikey: GTVWRXDRKAHEAD-UHFFFAOYSA-N
pubchem: 6537
formula: C24H51O4P
type: Concept
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
notation: tris2C2yC6yP
cas number: 78-42-2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003460
type: ChemicalCompound
iupac name: ['Tris(2-ethylhexyl) phosphate', 'tris(2-ethylhexoxy)-hydroxyphosphanium'] @en

fluthiacet-methyl
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
broader: CHEMONTID_0004631
notation: flutcC1y
formula: C15H15ClFN3O3S2
inchikey: ZCNQYNHDVRPZIH-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound
pubchem: 93542
cas number: 117337-19-6
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

europium 152
type: ChemicalCompound
pubchem: 104907
inchi: InChI=1S/Eu/i1+0
notation: Eu152
iupac name: europium-152 @en
inchikey: OGPBJKLSAFTDLK-IGMARMGPSA-N
formula: Eu
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
smiles: [Eu]
cas number: 14683-23-9

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

3,4-dimethylaniline
pubchem: 7248
type: Concept
cas number: 95-64-7
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
formula: C8H11N
type: ChemicalCompound
smiles: CC1=C(C=C(C=C1)N)C
notation: 34DC1yAn
iupac name: 3,4-Dimethylaniline @en
inchikey: DOLQYFPDPKPQSS-UHFFFAOYSA-N
broader: CHEMONTID_0004210

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

indol
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchi: InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
smiles: C1=CC=C2C(=C1)C=CN2
formula: C8H7N
notation: indl
inchikey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
cas number: 120-72-9
type: ChemicalSubstance
broader: CHEMONTID_0002497
pubchem: 798
type: ChemicalCompound
iupac name: 1H-Indole @en

4-broomaniline
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 7807
inchikey: WDFQBORIUYODSI-UHFFFAOYSA-N
broader: CHEMONTID_0000284
notation: 4BrAn
type: ChemicalCompound
cas number: 106-40-1
iupac name: 4-Bromoaniline @en
cas number: 55777-84-9
inchi: InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
smiles: C1=CC(=CC=C1N)Br
formula: C6H6BrN

6-allyl-4-methoxy-1,3-benzodioxol
type: ChemicalCompound
pubchem: 4276
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
type: Concept
notation: 6all4C1ox13B
smiles: COC1=CC(=CC2=C1OCO2)CC=C
in scheme: Conceptschema Chemische Stoffen
formula: C11H12O3
iupac name: 4-methoxy-6-prop-2-enyl-1,3-benzodioxole @en
inchikey: BNWJOHGLIBDBOB-UHFFFAOYSA-N
broader: CHEMONTID_0000296
type: ChemicalSubstance
cas number: 607-91-0

rhodium
formula: Rh
type: ChemicalCompound
type: Concept
smiles: [Rh]
in scheme: Conceptschema Chemische Stoffen
cas number: 24546-24-5
inchi: InChI=1S/Rh
cas number: 100041-37-0
pubchem: 23948
type: ChemicalSubstance
iupac name: RHODIUM @en
inchikey: MHOVAHRLVXNVSD-UHFFFAOYSA-N
cas number: 7440-16-6
notation: Rh
broader: CHEMONTID_0000426

dinoterb
type: Concept
iupac name: 2-tert-Butyl-4,6-dinitrophenol @en
notation: Dntb
in scheme: Conceptschema Chemische Stoffen
formula: C10H12N2O5
type: ChemicalCompound
inchikey: IIPZYDQGBIWLBU-UHFFFAOYSA-N
smiles: CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
type: ChemicalSubstance
pubchem: 14994
cas number: 1420-07-1
broader: CHEMONTID_0004505
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

C.I. Acid Red 114
notation: ciard114
broader: CHEMONTID_0003370
formula: C37H28N4Na2O10S3
cas number: 6459-94-5
cas number: 25317-45-7
iupac name: disodium (8E)-8-[[2-methyl-4-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]diazenylphenyl]phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
alternative label: c.i. acid red 114
pubchem: 6321393
inchikey: PVLKQJLDEXCKNY-JYLPYTDFSA-L

polyhexamethyleenbiguanide hydrochloride
formula: C16H35ClN10
in scheme: Conceptschema Chemische Stoffen
cas number: 27083-27-8
type: Concept
type: ChemicalSubstance
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
broader: CHEMONTID_0000375
notation: PHMBHCl
pubchem: 168654
smiles: C(CCCN)CCN.C(CCCN=C(N)NC#N)CCN=C(N)NC#N.Cl
type: ChemicalCompound
inchikey: GGBZCCPSKRKGQB-UHFFFAOYSA-N
iupac name: 2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine; hexane-1,6-diamine; hydrochloride @en

waterstoffluoride
comment: VLAR II bijl. 2.5.1 'fluorwaterstof'
comment: VLAR III (D3) 'HF'
alternative label: waterstoffluoride (HF)
type: ChemicalCompound
inchi: InChI=1S/FH/h1H
cas number: 7664-39-3
cas number: 32057-09-3
comment: VLAR II (D5) 'HF'
cas number: 37249-79-9
type: Concept
notation: HF
in scheme: Conceptschema Chemische Stoffen
inchikey: KRHYYFGTRYWZRS-UHFFFAOYSA-N
comment: VLAR III (D3) 'waterstoffluoride(HF)'
type: ChemicalSubstance
smiles: F
formula: FH
iupac name: ['Hydrogen fluoride', 'hydron fluoride'] @en
is referenced by: LUC III 006
pubchem: 14917
broader: CHEMONTID_0000548
alternative label: waterstoffluoride (hf)

2-(1-naftyl)aceetamide
smiles: C1=CC=C2C(=C1)C=CC=C2CC(=O)N
cas number: 31093-43-3
in scheme: Conceptschema Chemische Stoffen
formula: C12H11NO
pubchem: 6861
cas number: 86-86-2
iupac name: 2-naphthalen-1-ylacetamide @en
notation: 21ntacAd
type: ChemicalSubstance
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)
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000023
inchikey: XFNJVKMNNVCYEK-UHFFFAOYSA-N

diquatdibromide
notation: DqBr
formula: C12H12Br2N2
type: ChemicalSubstance
iupac name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide @en
type: ChemicalCompound
smiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]
cas number: 85-00-7
cas number: 66630-68-0
inchikey: ODPOAESBSUKMHD-UHFFFAOYSA-L
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
type: Concept
pubchem: 6794
cas number: 34417-68-0
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001764

dodecyldimethylbenzylammoniumbromide
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
broader: CHEMONTID_0003976
notation: DDBAB
iupac name: benzyl-dodecyl-dimethylazanium bromide @en
formula: C21H38BrN
cas number: 7281-04-1
smiles: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 23705
in scheme: Conceptschema Chemische Stoffen
inchikey: KHSLHYAUZSPBIU-UHFFFAOYSA-M

2,2',4,5,5'-pentabroombifenyl
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: OELBLPCWLAWABI-UHFFFAOYSA-N
broader: CHEMONTID_0003954
type: ChemicalSubstance
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
pubchem: 49996
type: ChemicalCompound
notation: PBB101
cas number: 67888-96-4
iupac name: 1,2,4-tribromo-5-(2,5-dibromophenyl)benzene @en
formula: C12H5Br5

n-propyl-1-butaanamine
broader: CHEMONTID_0002228
alternative label: N-propyl-1-butaanamine
inchikey: CWYZDPHNAGSFQB-UHFFFAOYSA-N
formula: C7H17N
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3
notation: NC3y1C4aAe
cas number: 20193-21-9
iupac name: N-propylbutan-1-amine @en
type: ChemicalCompound
smiles: CCCCNCCC
in scheme: Conceptschema Chemische Stoffen
pubchem: 88399

2-methyl-5-nitroimidazool
notation: 2C1y5NO2imdz
type: Concept
inchikey: FFYTTYVSDVWNMY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
cas number: 88054-22-2
cas number: 696-23-1
cas number: 100215-29-0
formula: C4H5N3O2
type: ChemicalCompound
iupac name: 2-methyl-4-nitro-3H-imidazole @en
smiles: CC1=NC=C(N1)[N+](=O)[O-]
broader: CHEMONTID_0000242
pubchem: 12760
type: ChemicalSubstance

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

triisobutylfosfaat
cas number: 126-71-6
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen
inchikey: HRKAMJBPFPHCSD-UHFFFAOYSA-N
pubchem: 31355
iupac name: tris(2-methylpropyl) phosphate @en
type: ChemicalSubstance
smiles: CC(C)COP(=O)(OCC(C)C)OCC(C)C
formula: C12H27O4P
notation: TiC4yPO4
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

amitraz
formula: C19H23N3
type: ChemicalCompound
inchikey: QXAITBQSYVNQDR-UHFFFAOYSA-N
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
pubchem: 36324
type: Concept
broader: CHEMONTID_0004209
iupac name: N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide @en
type: ChemicalSubstance
cas number: 33089-61-1
notation: amtz
in scheme: Conceptschema Chemische Stoffen

chinonamid
inchikey: ZIEWAMOXCOLNSJ-UHFFFAOYSA-N
notation: chinnmd
broader: CHEMONTID_0000153
formula: C12H6Cl3NO3
type: Concept
type: ChemicalSubstance
pubchem: 94382
iupac name: 2,2-dichloro-N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide @en
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)
in scheme: Conceptschema Chemische Stoffen
cas number: 27541-88-4
type: ChemicalCompound

benzylisopentylether
cas number: 122-73-6
iupac name: 3-methylbutoxymethylbenzene @en
notation: benziC5yEtr
broader: CHEMONTID_0002542
formula: C12H18O
type: Concept
smiles: CC(C)CCOCC1=CC=CC=C1
type: ChemicalCompound
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
inchikey: RXXCIBALSKQCAE-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 31227

mexacarbaat
formula: C12H18N2O2
broader: CHEMONTID_0004640
type: Concept
cas number: 315-18-4
pubchem: 9414
type: ChemicalSubstance
inchikey: YNEVBPNZHBAYOA-UHFFFAOYSA-N
notation: mexcbt
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC
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

dioctyldimethylammoniumchloride
pubchem: 62581
notation: DODMAC
broader: CHEMONTID_0004225
iupac name: dimethyl-dioctylazanium chloride @en
smiles: CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]
formula: C18H40ClN
type: ChemicalSubstance
type: Concept
inchikey: FARBQUXLIQOIDY-UHFFFAOYSA-M
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
cas number: 5538-94-3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

bismuth 207
smiles: [Bi]
broader: CHEMONTID_0000427
iupac name: bismuth-207 @en
pubchem: 6335818
type: ChemicalCompound
cas number: 13982-38-2
inchikey: JCXGWMGPZLAOME-YPZZEJLDSA-N
type: ChemicalSubstance
notation: Bi207
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Bi/i1-2
formula: Bi
type: Concept

oxycarboxin
inchikey: AMEKQAFGQBKLKX-UHFFFAOYSA-N
notation: OxcbOxn
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 21330
formula: C12H13NO4S
type: Concept
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)
cas number: 5259-88-1
broader: CHEMONTID_0000285
smiles: CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2
iupac name: 2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide @en

fluticasonpropionaat
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
type: ChemicalCompound
inchikey: WMWTYOKRWGGJOA-ZHLGSTKJSA-N
broader: CHEMONTID_0001691
pubchem: 54580
notation: flutcsppont
in scheme: Conceptschema Chemische Stoffen
cas number: 80474-14-2
type: ChemicalSubstance
type: Concept
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
formula: C25H31F3O5S

diazinon
notation: Daznn
iupac name: diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidenephosphorane @en
type: ChemicalCompound
broader: CHEMONTID_0004771
in scheme: Conceptschema Chemische Stoffen
smiles: CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
inchikey: FHIVAFMUCKRCQO-UHFFFAOYSA-N
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
cas number: 30583-38-1
cas number: 333-41-5
cas number: 65863-03-8
type: Concept
type: ChemicalSubstance
cas number: 27936-40-9
formula: C12H21N2O3PS
pubchem: 3017

iridium
cas number: 7439-88-5
notation: Ir
type: ChemicalSubstance
broader: CHEMONTID_0000426
type: Concept
cas number: 22542-08-1
iupac name: IRIDIUM @en
smiles: [Ir]
inchi: InChI=1S/Ir
pubchem: 23924
type: ChemicalCompound
inchikey: GKOZUEZYRPOHIO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: Ir

ethylbromofos
broader: CHEMONTID_0004748
type: ChemicalSubstance
inchikey: KWGUFOITWDSNQY-UHFFFAOYSA-N
smiles: CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl
pubchem: 20965
in scheme: Conceptschema Chemische Stoffen
iupac name: (4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane @en
type: Concept
cas number: 4824-78-6
notation: C2yBrfs
alternative label: bromofos-ethyl
alternative label: bromophos-ethyl
type: ChemicalCompound
formula: C10H12BrCl2O3PS

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

kaliumoleaat
notation: Kolat
broader: CHEMONTID_0002949
inchikey: MLICVSDCCDDWMD-KVVVOXFISA-M
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-;
smiles: CCCCCCCCC=CCCCCCCCC(=O)[O-].[K+]
type: Concept
cas number: 143-18-0
type: ChemicalCompound
iupac name: potassium (Z)-octadec-9-enoate @en
pubchem: 6433168
formula: C18H33KO2
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

ceriumoxide
iupac name: dioxocerium @en
inchikey: CETPSERCERDGAM-UHFFFAOYSA-N
inchi: InChI=1S/Ce.2O
broader: CHEMONTID_0000542
cas number: 385781-69-1
smiles: O=[Ce]=O
type: Concept
cas number: 1306-38-3
type: ChemicalSubstance
notation: CeO2
formula: CeO2
pubchem: 73963
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

alfa-hexachloorcyclohexaan
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
notation: aHCH
type: Concept
broader: CHEMONTID_0004485
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
alternative label: α-hexachlorocyclohexaan
cas number: 319-84-6
type: ChemicalSubstance
alternative label: α-lindaan
inchikey: JLYXXMFPNIAWKQ-SHFUYGGZSA-N
formula: C6H6Cl6
iupac name: (1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en

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

2,3,4-trichlooraniline
formula: C6H4Cl3N
notation: 234TClAn
inchi: InChI=1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
broader: CHEMONTID_0000284
type: Concept
type: ChemicalSubstance
smiles: C1=CC(=C(C(=C1N)Cl)Cl)Cl
inchikey: RRJUYQOFOMFVQS-UHFFFAOYSA-N
iupac name: 2,3,4-TRICHLOROANILINE @en
in scheme: Conceptschema Chemische Stoffen
cas number: 54686-91-8
type: ChemicalCompound
pubchem: 12464
cas number: 634-67-3

levetiracetam
notation: levtrctm
in scheme: Conceptschema Chemische Stoffen
cas number: 102767-28-2
type: ChemicalCompound
type: Concept
iupac name: (2R)-2-(2-oxopyrrolidin-1-yl)butanamide @en
inchikey: HPHUVLMMVZITSG-ZCFIWIBFSA-N
formula: C8H14N2O2
type: ChemicalSubstance
smiles: CCC(C(=O)N)N1CCCC1=O
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
broader: CHEMONTID_0000060
pubchem: 441341

fenthion-oxon-sulfoxide
cas number: 6552-13-2
iupac name: dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate @en
type: ChemicalSubstance
smiles: CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)C
pubchem: 23047
type: Concept
type: ChemicalCompound
inchikey: GTZCKTIZOGTWQO-UHFFFAOYSA-N
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
broader: CHEMONTID_0004632
in scheme: Conceptschema Chemische Stoffen
notation: fentoOosfOxd
formula: C10H15O5PS

secbumeton
notation: secbmtn
inchikey: ZJMZZNVGNSWOOM-UHFFFAOYSA-N
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)
cas number: 26259-45-0
iupac name: N-butan-2-yl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine @en
type: ChemicalCompound
smiles: CCC(C)NC1=NC(=NC(=N1)NCC)OC
broader: CHEMONTID_0004731
cas number: 38473-42-6
type: ChemicalSubstance
type: Concept
formula: C10H19N5O
pubchem: 33443
cas number: 11096-33-6
in scheme: Conceptschema Chemische Stoffen

1,3-dihydroxypropaan-2-yl-octadecanoaat
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
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
cas number: 621-61-4
type: ChemicalSubstance
formula: C21H42O4
inchikey: YQEMORVAKMFKLG-UHFFFAOYSA-N
iupac name: 1,3-dihydroxypropan-2-yl octadecanoate @en
type: ChemicalCompound
notation: 13DHOxC3a2yC
broader: CHEMONTID_0001603
type: Concept
pubchem: 79075

4-ethyl-4-hexadecylmorpholiniumethylsulfaat
inchikey: QDQHWKZZJJDBND-UHFFFAOYSA-M
smiles: CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CC.CCOS(=O)(=O)[O-]
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000392
in scheme: Conceptschema Chemische Stoffen
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
notation: 4C2y4C6ymfln
cas number: 8007-36-1
formula: C24H51NO5S
pubchem: 60971
cas number: 78-21-7

2,2-dichloor-1,1,1,3,3-pentafluorpropaan
broader: CHEMONTID_0001517
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C3HCl2F5/c4-2(5,1(6)7)3(8,9)10/h1H
inchikey: JEWUXLHWYRSHJK-UHFFFAOYSA-N
cas number: 128903-21-9
iupac name: 2,2-DICHLORO-1,1,1,3,3-PENTAFLUOROPROPANE @en
in scheme: Conceptschema Chemische Stoffen
notation: HCFK225aa
formula: C3HCl2F5
pubchem: 62315
type: ChemicalCompound
smiles: C(C(C(F)(F)F)(Cl)Cl)(F)F

dichloorfeen
smiles: C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
type: ChemicalSubstance
formula: C13H10Cl2O2
cas number: 1322-43-6
notation: DClfn
iupac name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol @en
cas number: 8017-86-5
inchikey: MDNWOSOZYLHTCG-UHFFFAOYSA-N
pubchem: 3037
broader: CHEMONTID_0000369
cas number: 97-23-4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
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
type: Concept

tellurium 132
type: Concept
inchi: InChI=1S/Te/i1+4
cas number: 14234-28-7
broader: CHEMONTID_0000431
smiles: [Te]
notation: Te132
inchikey: PORWMNRCUJJQNO-RNFDNDRNSA-N
type: ChemicalSubstance
pubchem: 6336614
in scheme: Conceptschema Chemische Stoffen
formula: Te
type: ChemicalCompound
iupac name: tellurium-132 @en

n,n-dibutylformamide
type: ChemicalCompound
iupac name: N,N-DIBUTYLFORMAMIDE @en
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001664
inchikey: NZMAJUHVSZBJHL-UHFFFAOYSA-N
alternative label: N,N-dibutylformamide
formula: C9H19NO
inchi: InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 12975
smiles: CCCCN(CCCC)C=O
cas number: 761-65-9
notation: NNDC4yfAd

pyrantel pamoaat
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
type: Concept
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+
type: ChemicalSubstance
cas number: 122157-48-6
broader: CHEMONTID_0002421
inchikey: AQXXZDYPVDOQEE-MXDQRGINSA-N
formula: C34H30N2O6S
notation: pyrtpmat
cas number: 22204-24-6
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

chryseen
cas number: 65777-08-4
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
type: Concept
broader: CHEMONTID_0001142
notation: Chr
in scheme: Conceptschema Chemische Stoffen
iupac name: Chrysene @en
smiles: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
type: ChemicalCompound
is referenced by: LUC VI 001
type: ChemicalSubstance
inchikey: WDECIBYCCFPHNR-UHFFFAOYSA-N
cas number: 218-01-9
cas number: 27274-05-1
pubchem: 9171

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

perfluor-3-7-dimethyloctaanzuur
formula: C10HF19O2
type: ChemicalCompound
broader: CHEMONTID_0003086
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
cas number: 172155-07-6
inchikey: KZUSAXRVIONPJU-UHFFFAOYSA-N
notation: P37DMOA
pubchem: 2776093
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept

chloormequatchloride
notation: ClmqCl
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0004225
pubchem: 13836
cas number: 8073-20-9
cas number: 999-81-5
cas number: 39394-21-3
inchi: InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
type: ChemicalCompound
type: ChemicalSubstance
formula: C5H13Cl2N
inchikey: UHZZMRAGKVHANO-UHFFFAOYSA-M
smiles: C[N+](C)(C)CCCl.[Cl-]
iupac name: 2-chloroethyl-trimethylazanium chloride @en

nonylfenoltriethoxylaat
broader: CHEMONTID_0003338
type: ChemicalSubstance
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
cas number: 27176-95-0
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCO
inchikey: GDSSTYXBZTUGSJ-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
pubchem: 176451
formula: C21H36O4
notation: NPEO3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethanol @en

tolylfluanide
in scheme: Conceptschema Chemische Stoffen
formula: C10H13Cl2FN2O2S2
notation: tolfande
cas number: 731-27-1
type: ChemicalCompound
broader: CHEMONTID_0000038
inchikey: HYVWIQDYBVKITD-UHFFFAOYSA-N
pubchem: 12898
iupac name: N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline @en
type: ChemicalSubstance
type: Concept

desoximetason
type: ChemicalSubstance
pubchem: 9793
broader: CHEMONTID_0003095
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: desOxmtsn
cas number: 382-67-2
inchikey: VWVSBHGCDBMOOT-OKPPOTDYSA-N
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
type: Concept
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

heptenofos
inchikey: GBAWQJNHVWMTLU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: heptnfs
type: Concept
iupac name: (6-chloro-7-bicyclo[3.2.0]hepta-3,6-dienyl) dimethyl phosphate @en
broader: CHEMONTID_0003459
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
smiles: COP(=O)(OC)OC1=C(C2C1CC=C2)Cl
pubchem: 62773
cas number: 23560-59-0
cas number: 77107-77-8
type: ChemicalSubstance
type: ChemicalCompound
formula: C9H12ClO4P

citronellol
cas number: 106-22-9
formula: C10H20O
smiles: CC(CCC=C(C)C)CCO
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
type: ChemicalSubstance
notation: citnll
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: (3R)-3,7-dimethyloct-6-en-1-ol @en
pubchem: 101977
cas number: 1117-61-9
type: ChemicalCompound
inchikey: QMVPMAAFGQKVCJ-SNVBAGLBSA-N
broader: CHEMONTID_0001127

vamidothion
type: ChemicalSubstance
inchikey: CUJJSLYROAWARJ-UHFFFAOYSA-N
pubchem: 16775
formula: C8H18NO4PS2
notation: vamdton
broader: CHEMONTID_0001663
in scheme: Conceptschema Chemische Stoffen
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)
type: ChemicalCompound
cas number: 2275-23-2
type: Concept
smiles: CNC(=O)CCSCCSP(=O)(OC)OC

lynestrenol
notation: lyntnl
pubchem: 5857
type: ChemicalSubstance
formula: C20H28O
inchikey: YNVGQYHLRCDXFQ-XGXHKTLJSA-N
type: ChemicalCompound
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
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=CCCCC34
cas number: 52-76-6
broader: CHEMONTID_0001466

3,3'-dimethoxybenzidine dihydrochloride
type: ChemicalSubstance
broader: CHEMONTID_0000041
smiles: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[NH3+])OC)[NH3+].[Cl-].[Cl-]
in scheme: Conceptschema Chemische Stoffen
formula: C14H18Cl2N2O2
iupac name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline dihydrochloride @en
cas number: 20325-40-0
notation: 33DC1oxbzdnH
cas number: 111984-09-9
pubchem: 30113
type: ChemicalCompound
notation: 33DC1oxbzdnD
inchikey: UXTIAFYTYOEQHV-UHFFFAOYSA-N
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
alternative label: 3,3'-dimethoxybenzidinehydrochloride
type: Concept

lutetium
broader: CHEMONTID_0000429
pubchem: 23929
cas number: 7439-94-3
formula: Lu
notation: Lu
inchi: InChI=1S/Lu
type: Concept
iupac name: LUTETIUM @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: OHSVLFRHMCKCQY-UHFFFAOYSA-N
type: ChemicalCompound
smiles: [Lu]
cas number: 110123-46-1

azadirachtin
broader: CHEMONTID_0002380
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 5281303
inchikey: FTNJWQUOZFUQQJ-NDAWSKJSSA-N
type: Concept
notation: azdrtn
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
type: ChemicalCompound
cas number: 11141-17-6

dihydrosafrol
inchikey: MYEIDJPOUKASEC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: DHsfl
type: ChemicalSubstance
pubchem: 7197
cas number: 94-58-6
formula: C10H12O2
broader: CHEMONTID_0000296
smiles: CCCC1=CC2=C(C=C1)OCO2
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
type: ChemicalCompound

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

4-methyl-1-penteen
formula: C6H12
inchikey: WSSSPWUEQFSQQG-UHFFFAOYSA-N
broader: CHEMONTID_0004476
pubchem: 12724
smiles: CC(C)CC=C
in scheme: Conceptschema Chemische Stoffen
cas number: 691-37-2
type: Concept
type: ChemicalSubstance
cas number: 25068-26-2
notation: 4C1y1C5e
inchi: InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3
cas number: 44390-46-7
iupac name: 4-Methylpent-1-ene @en
type: ChemicalCompound

uranium 234
iupac name: uranium-234 @en
formula: U
cas number: 13966-29-5
type: ChemicalCompound
pubchem: 61704
smiles: [U]
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000430
notation: U234
inchi: InChI=1S/U/i1-4
type: ChemicalSubstance
inchikey: JFALSRSLKYAFGM-AHCXROLUSA-N
type: Concept

sotalol, waterstofchloride
type: ChemicalCompound
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
type: ChemicalSubstance
cas number: 959-24-0
broader: CHEMONTID_0000038
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride @en
pubchem: 66245
formula: C12H21ClN2O3S
smiles: CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl
inchikey: VIDRYROWYFWGSY-UHFFFAOYSA-N

2-methylpropylhexadecanoaat
broader: CHEMONTID_0000324
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
pubchem: 66967
formula: C20H40O2
type: ChemicalSubstance
cas number: 110-34-9
notation: 2C1yC3yC16ao
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCC(=O)OCC(C)C
type: Concept
inchikey: OJIBJRXMHVZPLV-UHFFFAOYSA-N
iupac name: 2-Methylpropyl hexadecanoate @en

isopropylacetaat
type: ChemicalSubstance
broader: CHEMONTID_0001238
inchi: InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
type: ChemicalCompound
notation: iC3yactt
inchikey: JMMWKPVZQRWMSS-UHFFFAOYSA-N
smiles: CC(C)OC(=O)C
formula: C5H10O2
pubchem: 7915
cas number: 108-21-4
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: propan-2-yl acetate @en

3,4-dimethylpyrazol
type: Concept
formula: C5H8N2
in scheme: Conceptschema Chemische Stoffen
notation: 34DC1yprzl
inchikey: VQTVFIMEENGCJA-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0000087
type: ChemicalSubstance
smiles: CC1=C(NN=C1)C
pubchem: 137735
cas number: 2820-37-3
iupac name: 3,4-dimethyl-2H-pyrazole @en
inchi: InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)

2-fenylpyridine
notation: 2Fyprdne
in scheme: Conceptschema Chemische Stoffen
formula: C11H9N
iupac name: 2-PHENYLPYRIDINE @en
type: ChemicalCompound
cas number: 1008-89-5
smiles: C1=CC=C(C=C1)C2=CC=CC=N2
inchi: InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H
broader: CHEMONTID_0002317
pubchem: 13887
cas number: 94928-86-6
type: Concept
inchikey: VQGHOUODWALEFC-UHFFFAOYSA-N
type: ChemicalSubstance

doxycycline hyclaat
notation: doxccnhct
in scheme: Conceptschema Chemische Stoffen
inchikey: QDDHZFKCHWYXJF-PCLMCNLLSA-N
type: ChemicalCompound
cas number: 24390-14-5
type: ChemicalSubstance
type: Concept
cas number: 62149-53-5
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
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
pubchem: 5463942
formula: C46H58Cl2N4O18

2,2',3,3',4,5',6,6'-octachloorbifenyl
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
cas number: 40186-71-8
inchikey: LJQOBQLZTUSEJA-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
notation: PCB201
iupac name: 1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenyl)benzene @en
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
pubchem: 38410
formula: C12H2Cl8
type: ChemicalCompound

perfluorbutaansulfonamide
notation: PFBSA
cas number: 30334-69-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003966
iupac name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide @en
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)
formula: C4H2F9NO2S
pubchem: 10958205
inchikey: FUVKFLJWBHVMHX-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
type: Concept

ronidazol
pubchem: 5094
cas number: 7681-76-7
formula: C6H8N4O4
in scheme: Conceptschema Chemische Stoffen
iupac name: (1-Methyl-5-nitroimidazol-2-yl)methyl carbamate @en
notation: rondzl
type: ChemicalSubstance
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)
broader: CHEMONTID_0000242
type: ChemicalCompound
inchikey: PQFRTXSWDXZRRS-UHFFFAOYSA-N
smiles: CN1C(=CN=C1COC(=O)N)[N+](=O)[O-]
type: Concept

osmium tetraoxide
inchi: InChI=1S/4O.Os
cas number: 7446-13-1
notation: OsT4O
type: ChemicalSubstance
smiles: O=[Os](=O)(=O)=O
cas number: 12060-19-4
formula: O4Os
cas number: 20816-12-0
inchikey: VUVGYHUDAICLFK-UHFFFAOYSA-N
pubchem: 30318
type: ChemicalCompound
iupac name: tetraoxoosmium @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000538
type: Concept

benzeenazijnzuur
pubchem: 999
in scheme: Conceptschema Chemische Stoffen
notation: BenHAc
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=CC=C(C=C1)CC(=O)O
cas number: 103-82-2
iupac name: 2-Phenylacetic acid @en
formula: C8H8O2
type: Concept
inchikey: WLJVXDMOQOGPHL-UHFFFAOYSA-N
inchi: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
broader: CHEMONTID_0002279
cas number: 51146-16-8

metamitron
in scheme: Conceptschema Chemische Stoffen
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
notation: mmtn
cas number: 41394-05-2
type: Concept
iupac name: 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5-one @en
type: ChemicalCompound
formula: C10H10N4O
smiles: CC1=NN=C(C(=O)N1N)C2=CC=CC=C2
pubchem: 38854
type: ChemicalSubstance
broader: CHEMONTID_0004107
inchikey: VHCNQEUWZYOAEV-UHFFFAOYSA-N

cis-nonachloor
notation: tNnCl
type: ChemicalCompound
type: ChemicalSubstance
alternative label: trans-nonachloor
cas number: 29555-44-0
in scheme: Conceptschema Chemische Stoffen
cas number: 39765-80-5
cas number: 3734-49-4
cas number: 24143-69-9
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
formula: C10H5Cl9
type: Concept
cas number: 5103-73-1
pubchem: 19520
broader: CHEMONTID_0002863
inchikey: OCHOKXCPKDPNQU-UHFFFAOYSA-N
iupac name: 1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene @en
notation: cNnCl

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

cinoxacine
smiles: CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3
inchikey: VDUWPHTZYNWKRN-UHFFFAOYSA-N
pubchem: 2762
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000206
in scheme: Conceptschema Chemische Stoffen
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)
type: ChemicalSubstance
cas number: 28657-80-9
iupac name: 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid @en

perfluor-n-undecaansulfonzuur
type: Concept
inchikey: UKHUPOMCGUFNAP-UHFFFAOYSA-N
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
type: ChemicalCompound
cas number: 749786-16-1
pubchem: 22141518
formula: C11HF23O3S
notation: PFUnDS
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
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)
type: ChemicalSubstance

natrium
broader: CHEMONTID_0000425
pubchem: 923
in scheme: Conceptschema Chemische Stoffen
smiles: [Na+]
inchi: InChI=1S/Na/q+1
cas number: 7440-23-5
iupac name: sodium(+1) cation @en
inchikey: FKNQFGJONOIPTF-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
notation: Na
cas number: 17341-25-2
alternative label: natrium, eenwaardig
formula: Na+
type: Concept

oxamide
type: ChemicalSubstance
smiles: C(=O)(C(=O)N)N
iupac name: OXAMIDE @en
broader: CHEMONTID_0000060
inchikey: YIKSCQDJHCMVMK-UHFFFAOYSA-N
notation: OaAd
cas number: 4745-68-0
cas number: 471-46-5
type: Concept
formula: C2H4N2O2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchi: InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
pubchem: 10113

2-ethylhexyldifenylfosfaat
broader: CHEMONTID_0004619
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
inchikey: CGSLYBDCEGBZCG-UHFFFAOYSA-N
cas number: 1241-94-7
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C20H27O4P
iupac name: 2-Ethylhexyl diphenyl phosphate @en
pubchem: 14716
notation: 2C2yC6yDFyPO
in scheme: Conceptschema Chemische Stoffen

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

1,3,5-trimethylbenzeen
type: ChemicalSubstance
is referenced by: LUC IV 011
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
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
notation: 135TC1yBen
is referenced by: LUC IV 001
inchikey: AUHZEENZYGFFBQ-UHFFFAOYSA-N
type: Concept
cas number: 108-67-8
comment: VLAR II bijl. 4.4.2 'trimethylbenzeen'
pubchem: 7947
smiles: CC1=CC(=CC(=C1)C)C
type: ChemicalCompound
is referenced by: LUC IV 000

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

alfa-pineen
cas number: 103657-08-5
type: Concept
cas number: 72510-05-5
formula: C10H16
broader: CHEMONTID_0001564
inchi: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
cas number: 25766-18-1
cas number: 2437-95-8
type: ChemicalCompound
iupac name: 4,7,7-trimethylbicyclo[3.1.1]hept-3-ene @en
type: ChemicalSubstance
cas number: 53569-35-0
cas number: 67762-73-6
inchikey: GRWFGVWFFZKLTI-UHFFFAOYSA-N
smiles: CC1=CCC2CC1C2(C)C
cas number: 80-56-8
in scheme: Conceptschema Chemische Stoffen
notation: apnn
cas number: 56833-58-0
cas number: 57762-87-5
pubchem: 6654
cas number: 68411-25-6
cas number: 50815-61-7
cas number: 39423-40-0
cas number: 102640-64-2
cas number: 39388-04-0

niobium
iupac name: NIOBIUM @en
inchikey: GUCVJGMIXFAOAE-UHFFFAOYSA-N
cas number: 7440-03-1
type: ChemicalSubstance
broader: CHEMONTID_0000426
formula: Nb
smiles: [Nb]
pubchem: 23936
type: ChemicalCompound
notation: Nb
inchi: InChI=1S/Nb
in scheme: Conceptschema Chemische Stoffen
cas number: 26842-13-7
type: Concept

4-terpineol
in scheme: Conceptschema Chemische Stoffen
cas number: 28219-82-1
inchikey: WRYLYDPHFGVWKC-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0001401
inchi: InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
cas number: 1336-05-6
smiles: CC1=CCC(CC1)(C(C)C)O
cas number: 562-74-3
type: Concept
pubchem: 11230
formula: C10H18O
iupac name: 4-methyl-1-propan-2-ylcyclohex-3-en-1-ol @en
type: ChemicalSubstance
notation: 4terpnol

cyproheptadine
cas number: 129-03-3
iupac name: 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000019
type: Concept
inchikey: JJCFRYNCJDLXIK-UHFFFAOYSA-N
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
notation: cypHpdne
type: ChemicalSubstance
formula: C21H21N
pubchem: 2913

3,4,5-trimethacarb
type: ChemicalCompound
notation: Tmtcb
type: ChemicalSubstance
iupac name: (3,4,5-trimethylphenyl) N-methylcarbamate @en
type: Concept
broader: CHEMONTID_0004742
smiles: CC1=CC(=CC(=C1C)C)OC(=O)NC
cas number: 2686-99-9
pubchem: 17592
in scheme: Conceptschema Chemische Stoffen
inchikey: AUQAUAIUNJIIEP-UHFFFAOYSA-N
formula: C11H15NO2
alternative label: trimethacarb
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)

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

2,5,8,11-tetraoxadodecaan
notation: 25811T4OaC12
cas number: 70992-85-7
formula: C8H18O4
iupac name: 1,2-Bis(2-methoxyethoxy)ethane @en
cas number: 112-49-2
broader: CHEMONTID_0001167
type: ChemicalCompound
pubchem: 8189
smiles: COCCOCCOCCOC
inchi: InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
inchikey: YFNKIDBQEZZDLK-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance

3-nitroaniline
type: ChemicalSubstance
inchi: InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2
cas number: 99-09-2
pubchem: 7423
type: ChemicalCompound
smiles: C1=CC(=CC(=C1)[N+](=O)[O-])N
broader: CHEMONTID_0000036
formula: C6H6N2O2
cas number: 12262-63-4
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: 3NO2An
inchikey: XJCVRTZCHMZPBD-UHFFFAOYSA-N
iupac name: 3-Nitroaniline @en

methoxyfenozide
iupac name: N-tert-butyl-N'-(3-methoxy-2-methylbenzoyl)-3,5-dimethylbenzohydrazide @en
formula: C22H28N2O3
type: Concept
inchikey: QCAWEPFNJXQPAN-UHFFFAOYSA-N
broader: CHEMONTID_0000176
type: ChemicalCompound
notation: C1oxfnzde
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)
in scheme: Conceptschema Chemische Stoffen
pubchem: 105010
cas number: 163442-56-6
type: ChemicalSubstance
cas number: 161050-58-4

demefion
notation: demfon
broader: CHEMONTID_0003384
type: ChemicalCompound
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
cas number: 8065-62-1
formula: C10H26O6P2S4
smiles: COP(=O)(OC)SCCSC.COP(=S)(OC)OCCSC
type: Concept
inchikey: ZIBCESDMUREVIU-UHFFFAOYSA-N
iupac name: dimethoxy-(2-methylsulfanylethoxy)-sulfanylidenephosphorane; 1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 115122
type: ChemicalSubstance

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

francium 223
broader: CHEMONTID_0000425
formula: Fr
cas number: 15756-98-6
smiles: [Fr]
iupac name: francium-223 @en
type: ChemicalCompound
type: ChemicalSubstance
notation: Fr223
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Fr/i1+0
inchikey: KLMCZVJOEAUDNE-IGMARMGPSA-N
pubchem: 6337087

perfluor-3,5,7,9-tetraoxadecaanzuur
pubchem: 57358057
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
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)
inchikey: RVMKCACFKFAJPS-UHFFFAOYSA-N
iupac name: 2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetic acid @en
cas number: 39492-90-5
notation: PFO4DA
type: ChemicalSubstance
broader: CHEMONTID_0003000

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

ethyl ftalyl ethyl glycolaat
type: Concept
type: ChemicalCompound
cas number: 84-72-0
pubchem: 6785
iupac name: O1-(2-ethoxy-2-oxoethyl) O2-ethyl benzene-1,2-dicarboxylate @en
notation: C2yFtyC2ygcl
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C14H16O6
broader: CHEMONTID_0001350
smiles: CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC
inchikey: PZBLUWVMZMXIKZ-UHFFFAOYSA-N

3,3'-dichloorbenzidine dihydrochloride
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: BXAONUZFBUNTQR-UHFFFAOYSA-N
pubchem: 11933
type: ChemicalSubstance
iupac name: 4-(4-amino-3-chlorophenyl)-2-chloroaniline dihydrochloride @en
formula: C12H12Cl4N2
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl
broader: CHEMONTID_0003956
cas number: 612-83-9
notation: 33DClbzdnDHC
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

monalide
type: ChemicalCompound
smiles: CCCC(C)(C)C(=O)NC1=CC=C(C=C1)Cl
cas number: 7287-36-7
type: Concept
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)
formula: C13H18ClNO
inchikey: KXGYBSNVFXBPNO-UHFFFAOYSA-N
notation: monlde
iupac name: N-(4-Chlorophenyl)-2,2-dimethylpentanamide @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 23715
broader: CHEMONTID_0000285
type: ChemicalSubstance

deltamethrin
inchikey: OWZREIFADZCYQD-NSHGMRRFSA-N
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
cas number: 52918-63-5
pubchem: 40585
type: ChemicalSubstance
cas number: 55700-96-4
type: Concept
formula: C22H19Br2NO3
broader: CHEMONTID_0001461
type: ChemicalCompound
notation: dmtn
iupac name: [(S)-cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
cas number: 62229-77-0
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
in scheme: Conceptschema Chemische Stoffen

ethylamine
cas number: 43031-21-6
inchi: InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
broader: CHEMONTID_0000469
type: Concept
iupac name: Ethanamine @en
cas number: 85404-22-4
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C2H7N
smiles: CCN
notation: C2yAe
cas number: 75-04-7
cas number: 85404-16-6
inchikey: QUSNBJAOOMFDIB-UHFFFAOYSA-N
pubchem: 6341

paroxetine
notation: paroetne
in scheme: Conceptschema Chemische Stoffen
pubchem: 43815
cas number: 110429-35-1
cas number: 61869-08-7
broader: CHEMONTID_0000303
formula: C19H20FNO3
inchikey: AHOUBRCZNHFOSL-YOEHRIQHSA-N
cas number: 63952-24-9
type: ChemicalSubstance
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
type: ChemicalCompound
type: Concept

2-(fenylsulfonyl)aniline
iupac name: 2-phenylsulfonylaniline @en
pubchem: 77956
formula: C12H11NO2S
type: Concept
broader: CHEMONTID_0004233
inchikey: JBCUKQQIWSWEOK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N
notation: 2FysfnAn
type: ChemicalCompound
cas number: 4273-98-7
type: ChemicalSubstance
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

2,3,5,6-tetrachlooraniline
formula: C6H3Cl4N
inchikey: YTDHEFNWWHSXSU-UHFFFAOYSA-N
cas number: 3481-20-7
type: ChemicalCompound
broader: CHEMONTID_0000284
iupac name: 2,3,5,6-Tetrachloroaniline @en
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 18998
type: ChemicalSubstance
inchi: InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
notation: 2356T4ClAn
smiles: C1=C(C(=C(C(=C1Cl)Cl)N)Cl)Cl

campheen
inchi: InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
smiles: CC1(C2CCC(C2)C1=C)C
broader: CHEMONTID_0001564
inchikey: CRPUJAZIXJMDBK-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: campn
type: ChemicalCompound
iupac name: 6,6-dimethyl-5-methylidenebicyclo[2.2.1]heptane @en
cas number: 5794-04-7
pubchem: 6616
type: Concept
cas number: 79-92-5
formula: C10H16
cas number: 565-00-4

1,2,4,5-tetrachloorbenzeen
broader: CHEMONTID_0001099
iupac name: 1,2,4,5-Tetrachlorobenzene @en
notation: 1245T4ClBen
notation: T4ClBen
cas number: 63697-22-3
alternative label: tetrachloorbenzeen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 95-94-3
in scheme: Conceptschema Chemische Stoffen
cas number: 12408-10-5
inchi: InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)Cl
inchikey: JHBKHLUZVFWLAG-UHFFFAOYSA-N
formula: C6H2Cl4
pubchem: 7270

sulfadoxine
in scheme: Conceptschema Chemische Stoffen
cas number: 2447-57-6
broader: CHEMONTID_0001925
pubchem: 17134
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
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)
inchikey: PJSFRIWCGOHTNF-UHFFFAOYSA-N
notation: sulfdxne
formula: C12H14N4O4S
iupac name: 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide @en

4,6-dichloor-2-methylfenol
iupac name: 2,4-Dichloro-6-methylphenol @en
formula: C7H6Cl2O
smiles: CC1=CC(=CC(=C1O)Cl)Cl
notation: 46DCl2C1yFol
inchikey: WJQZZLQMLJPKQH-UHFFFAOYSA-N
inchi: InChI=1S/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
pubchem: 15292
cas number: 1570-65-6
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0002564
type: ChemicalSubstance
type: ChemicalCompound

spinosynd
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
type: Concept
type: ChemicalCompound
inchikey: RDECBWLKMPEKPM-PSCJHHPTSA-N
cas number: 131929-63-0
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0000282
pubchem: 183094
type: ChemicalSubstance
notation: spinsnD
alternative label: spinosynD
formula: C42H67NO10

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

2-chloor-1,1,1,2-tetrafluorethaan
pubchem: 17822
type: ChemicalSubstance
cas number: 2837-89-0
smiles: C(C(F)(F)F)(F)Cl
notation: HCFK124
type: Concept
inchi: InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H
in scheme: Conceptschema Chemische Stoffen
formula: C2HClF4
type: ChemicalCompound
iupac name: 2-CHLORO-1,1,1,2-TETRAFLUOROETHANE @en
inchikey: BOUGCJDAQLKBQH-UHFFFAOYSA-N
broader: CHEMONTID_0001517

1,8-cineole
cas number: 10458-11-4
in scheme: Conceptschema Chemische Stoffen
inchikey: WEEGYLXZBRQIMU-WAAGHKOSSA-N
broader: CHEMONTID_0002012
inchi: InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
formula: 0
iupac name: 4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane @en
type: ChemicalCompound
smiles: 0
cas number: 8024-53-1
cas number: 470-82-6
type: ChemicalSubstance
type: Concept
notation: 18cinole
cas number: 8024-52-0

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

4-hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide
in scheme: Conceptschema Chemische Stoffen
inchikey: VYKLRWGPNUVKNC-AATRIKPKSA-N
smiles: CC(=O)C=CC12C(CC(CC1(O2)C)O)(C)C
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+
broader: CHEMONTID_0001729
cas number: 38274-01-0
pubchem: 5371267
type: Concept
iupac name: (E)-4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one @en
notation: 4HOx12DHbjnn
type: ChemicalSubstance
formula: C13H20O3
type: ChemicalCompound

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

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

methamfetamine
cas number: 45952-89-4
in scheme: Conceptschema Chemische Stoffen
formula: C10H15N
type: ChemicalSubstance
cas number: 1690-86-4
inchikey: MYWUZJCMWCOHBA-VIFPVBQESA-N
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
type: ChemicalCompound
notation: methafAe
cas number: 14611-50-8
cas number: 537-46-2
cas number: 139-47-9
pubchem: 10836
smiles: CC(CC1=CC=CC=C1)NC
type: Concept
iupac name: (2S)-N-methyl-1-phenylpropan-2-amine @en
broader: CHEMONTID_0000188

prednison
inchikey: XOFYZVNMUHMLCC-ZPOLXVRWSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
cas number: 53-03-2
broader: CHEMONTID_0003095
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
notation: prednsn
pubchem: 5865
formula: C21H26O5
cas number: 68-59-7
type: ChemicalCompound

acrylamide
pubchem: 6579
iupac name: prop-2-enamide @en
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: HRPVXLWXLXDGHG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C3H5NO
cas number: 79-06-1
inchi: InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
broader: CHEMONTID_0002484
cas number: 9003-05-8
notation: acAd
smiles: C=CC(=O)N

endosulfanlacton
notation: endsfltn
type: ChemicalCompound
inchikey: GIUKJJMBQBRFTN-UHFFFAOYSA-N
formula: C9H4Cl6O2
pubchem: 145710
broader: CHEMONTID_0001245
cas number: 3868-61-9
iupac name: 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one @en
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
type: Concept

natriumfluoracetaat
broader: CHEMONTID_0003000
cas number: 62-74-8
pubchem: 6123
type: Concept
type: ChemicalSubstance
smiles: C(C(=O)[O-])F.[Na+]
iupac name: sodium 2-fluoroacetate @en
inchikey: JGFYQVQAXANWJU-UHFFFAOYSA-M
inchi: InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
formula: C2H2FNaO2
in scheme: Conceptschema Chemische Stoffen
notation: NaFactt
type: ChemicalCompound

op'dichloordifenyldichloorethaan
in scheme: Conceptschema Chemische Stoffen
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
formula: C14H10Cl4
type: ChemicalSubstance
notation: 24DDD
iupac name: 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene @en
broader: CHEMONTID_0000369
pubchem: 4211
cas number: 53-19-0
inchikey: JWBOIMRXGHLCPP-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
alternative label: 2,4'-dichloordifenyldichloorethaan
alternative label: o,p’-ddd

ketamine
type: Concept
notation: ketAe
pubchem: 3821
in scheme: Conceptschema Chemische Stoffen
formula: C13H16ClNO
cas number: 33643-45-7
broader: CHEMONTID_0001099
cas number: 6740-88-1
cas number: 79499-51-7
inchikey: YQEZLKZALYSWHR-UHFFFAOYSA-N
cas number: 100477-72-3
type: ChemicalCompound
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
type: ChemicalSubstance
iupac name: 2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one @en
smiles: CNC1(CCCCC1=O)C2=CC=CC=C2Cl

glutaaraldehyde
broader: CHEMONTID_0002434
cas number: 37245-61-7
iupac name: Pentanedial @en
cas number: 107950-89-0
type: ChemicalCompound
inchikey: SXRSQZLOMIGNAQ-UHFFFAOYSA-N
cas number: 111-30-8
formula: C5H8O2
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 3485
inchi: InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
cas number: 79215-57-9
cas number: 29257-65-6
notation: glutAh
type: Concept
smiles: C(CC=O)CC=O

n-pentaan
broader: CHEMONTID_0002500
cas number: 68647-60-9
smiles: CCCCC
cas number: 8031-35-4
alternative label: pentaan
is referenced by: LUC IV 011
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C5H12
cas number: 68476-43-7
cas number: 109-66-0
is referenced by: LUC IV 000
pubchem: 8003
type: Concept
is referenced by: LUC IV 006
notation: C5a
cas number: 68475-60-5
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
inchi: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
type: ChemicalCompound
cas number: 68476-55-1
cas number: 102056-77-9
inchikey: OFBQJSOFQDEBGM-UHFFFAOYSA-N
iupac name: Pentane @en

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

4-chloorfenoxyazijnzuur
pubchem: 26229
notation: 4CPA
smiles: C1=CC(=CC=C1OCC(=O)O)Cl
cas number: 122-88-3
inchikey: SODPIMGUZLOIPE-UHFFFAOYSA-N
broader: CHEMONTID_0004525
in scheme: Conceptschema Chemische Stoffen
formula: C8H7ClO3
iupac name: 2-(4-chlorophenoxy)acetic acid @en
inchi: InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance

benoxacor
pubchem: 62306
type: ChemicalCompound
broader: CHEMONTID_0001396
type: ChemicalSubstance
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
formula: C11H11Cl2NO2
smiles: CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl
cas number: 98730-04-2
iupac name: 2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone @en
type: Concept
inchikey: PFJJMJDEVDLPNE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: benoacr

bromoxynil heptanoaat
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
inchikey: BHZWBQPHPLFZSV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 56634-95-8
broader: CHEMONTID_0002319
smiles: CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br
pubchem: 62119
type: Concept
type: ChemicalSubstance
notation: BrOxnHpnat
formula: C14H15Br2NO2
type: ChemicalCompound
iupac name: (2,6-dibromo-4-cyanophenyl) heptanoate @en

1,1,2-tribroomethaan
pubchem: 66222
inchi: InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: C(C(Br)Br)Br
broader: CHEMONTID_0001515
notation: 112TBrC2a
type: Concept
formula: C2H3Br3
inchikey: QUMDOMSJJIFTCA-UHFFFAOYSA-N
iupac name: 1,1,2-Tribromoethane @en
type: ChemicalSubstance
cas number: 78-74-0

zirconium 95
cas number: 13967-71-0
smiles: [Zr]
pubchem: 91573
inchikey: QCWXUUIWCKQGHC-RNFDNDRNSA-N
notation: Zr95
iupac name: zirconium-95 @en
formula: Zr
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000426
inchi: InChI=1S/Zr/i1+4
type: Concept
type: ChemicalCompound

1,2,3,4-tetrachloorbenzeen
type: ChemicalCompound
inchikey: GBDZXPJXOMHESU-UHFFFAOYSA-N
notation: 1234T4ClBen
type: ChemicalSubstance
pubchem: 12463
inchi: InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
broader: CHEMONTID_0001099
smiles: C1=CC(=C(C(=C1Cl)Cl)Cl)Cl
iupac name: 1,2,3,4-Tetrachlorobenzene @en
cas number: 634-66-2
in scheme: Conceptschema Chemische Stoffen
formula: C6H2Cl4
cas number: 63697-20-1
type: Concept
cas number: 13280-72-3

chloorbenside
notation: Clbsde
type: ChemicalCompound
type: Concept
inchikey: ZHLKXBJTJHRTTE-UHFFFAOYSA-N
formula: C13H10Cl2S
iupac name: 1-chloro-4-[(4-chlorophenyl)sulfanylmethyl]benzene @en
type: ChemicalSubstance
smiles: C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)Cl
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
broader: CHEMONTID_0004631
in scheme: Conceptschema Chemische Stoffen
cas number: 103-17-3
pubchem: 7639

fluazifop-P
notation: fluazfpP
iupac name: (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid @en
formula: C15H12F3NO4
broader: CHEMONTID_0004674
type: ChemicalSubstance
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
in scheme: Conceptschema Chemische Stoffen
alternative label: fluazifop-p
inchikey: YUVKUEAFAVKILW-SECBINFHSA-N
type: Concept
cas number: 83066-88-0
type: ChemicalCompound
pubchem: 91733

tetrabutylammonium cyanide
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N
inchikey: KRRBFUJMQBDDPR-UHFFFAOYSA-N
formula: C17H36N2
iupac name: tetrabutylazanium cyanide @en
cas number: 71887-25-7
pubchem: 165872
notation: T4C4yNH4CN
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
cas number: 10442-39-4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004225
type: ChemicalSubstance
type: Concept
type: ChemicalCompound

2,6,10,14-tetramethylhexadecaan
iupac name: 2,6,10,14-TETRAMETHYLHEXADECANE @en
type: ChemicalCompound
pubchem: 12523
smiles: CCC(C)CCCC(C)CCCC(C)CCCC(C)C
broader: CHEMONTID_0001357
type: Concept
type: ChemicalSubstance
formula: C20H42
cas number: 638-36-8
inchikey: GGYKPYDKXLHNTI-UHFFFAOYSA-N
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
in scheme: Conceptschema Chemische Stoffen
notation: 261014T4C102

2-(2-methoxyethoxy)ethanol
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001167
inchi: InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
formula: C5H12O3
iupac name: 2-(2-Methoxyethoxy)ethanol @en
pubchem: 8134
notation: 22C1oxC2oxC2
inchikey: SBASXUCJHJRPEV-UHFFFAOYSA-N
type: Concept
smiles: COCCOCCO
cas number: 111-77-3

amidosulfuron
type: ChemicalSubstance
broader: CHEMONTID_0000128
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 120923-37-7
inchikey: CTTHWASMBLQOFR-UHFFFAOYSA-N
pubchem: 91777
formula: C9H15N5O7S2
notation: amdsfrn
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-(methyl-methylsulfonylsulfamoyl)urea @en
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)

silafluofen
pubchem: 92430
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
notation: silfofn
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 105024-66-6
formula: C25H29FO2Si
type: ChemicalCompound
broader: CHEMONTID_0004155
type: Concept
inchikey: HPYNBECUCCGGPA-UHFFFAOYSA-N
iupac name: (4-ethoxyphenyl)-[3-[4-fluoro-3-(phenoxy)phenyl]propyl]-dimethylsilane @en

propanolol
broader: CHEMONTID_0000023
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
cas number: 525-66-6
notation: propnll
pubchem: 4946
in scheme: Conceptschema Chemische Stoffen
inchikey: AQHHHDLHHXJYJD-UHFFFAOYSA-N
smiles: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
type: ChemicalSubstance
alternative label: propranolol
cas number: 13013-17-7
iupac name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol @en
type: Concept
type: ChemicalCompound
formula: C16H21NO2

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

nitralin
inchikey: UMKANAFDOQQUKE-UHFFFAOYSA-N
broader: CHEMONTID_0003968
iupac name: 4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline @en
pubchem: 20848
type: ChemicalCompound
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
cas number: 4726-14-1
in scheme: Conceptschema Chemische Stoffen
smiles: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]
type: ChemicalSubstance
notation: nitln
formula: C13H19N3O6S
type: Concept

penicilline G
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
alternative label: penicilline g
notation: penclnG
pubchem: 5904
cas number: 61-33-6
type: ChemicalCompound
inchikey: JGSARLDLIJGVTE-MBNYWOFBSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004830
alternative label: benzylpenicilline
type: Concept
formula: C16H18N2O4S
type: ChemicalSubstance
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

polytetramethyletherglycol
inchikey: WYURNTSHIVDZCO-UHFFFAOYSA-N
alternative label: tetrahydrofuraan
is referenced by: LUC IV 011
pubchem: 8028
type: Concept
is referenced by: LUC IV 000
is referenced by: LUC IV 008
notation: PTMEG
inchi: InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
type: ChemicalCompound
cas number: 77392-70-2
cas number: 24979-97-3
in scheme: Conceptschema Chemische Stoffen
iupac name: Oxolane @en
comment: VLAR II bijl. 4.4.2
smiles: C1CCOC1
type: ChemicalSubstance
notation: T4Hfrn
broader: CHEMONTID_0002648
cas number: 109-99-9
formula: C4H8O

alanycarb
pubchem: 9576091
inchikey: GMAUQNJOSOMMHI-JXAWBTAJSA-N
notation: alncb
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: ethyl 3-[[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanyl-(phenylmethyl)amino]propanoate @en
type: ChemicalCompound
cas number: 83130-01-2
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-
broader: CHEMONTID_0002279
formula: C17H25N3O4S2
type: Concept

sotalol
formula: C12H20N2O3S
type: ChemicalCompound
iupac name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide @en
type: ChemicalSubstance
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
cas number: 27948-47-6
notation: sotll
inchikey: ZBMZVLHSJCTVON-UHFFFAOYSA-N
pubchem: 5253
smiles: CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 3930-20-9
broader: CHEMONTID_0000038

3-methylcholantreen
notation: 3C1ycltn
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: PPQNQXQZIWHJRB-UHFFFAOYSA-N
iupac name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene @en
type: Concept
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
pubchem: 1674
cas number: 345299-31-2
cas number: 56-49-5
formula: C21H16
type: ChemicalSubstance
broader: CHEMONTID_0000025

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

triadimenol-A
notation: TadmnlA
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
alternative label: triadimenol-a
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002341
pubchem: 92416
type: Concept
inchikey: BAZVSMNPJJMILC-STQMWFEESA-N
iupac name: (1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
type: ChemicalCompound
formula: C14H18ClN3O2
type: ChemicalSubstance
cas number: 89482-17-7

1-butoxy-2-propanol
type: Concept
inchikey: RWNUSVWFHDHRCJ-UHFFFAOYSA-N
notation: 1C4ox2C3ol
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3
type: ChemicalCompound
iupac name: 1-Butoxypropan-2-ol @en
broader: CHEMONTID_0001661
formula: C7H16O2
pubchem: 21210
smiles: CCCCOCC(C)O
type: ChemicalSubstance
cas number: 5131-66-8

cesium 134
in scheme: Conceptschema Chemische Stoffen
notation: Cs134
formula: Cs
broader: CHEMONTID_0000425
type: ChemicalSubstance
type: Concept
pubchem: 6335485
inchi: InChI=1S/Cs/i1+1
smiles: [Cs]
type: ChemicalCompound
cas number: 13967-70-9
inchikey: TVFDJXOCXUVLDH-OUBTZVSYSA-N
iupac name: cesium-134 @en

cefquinome
inchikey: YWKJNRNSJKEFMK-KJXIDEHUSA-N
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
pubchem: 9571084
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 84957-30-2
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
type: Concept
broader: CHEMONTID_0000173
formula: C23H24N6O5S2

butylparabeen
formula: C11H14O3
cas number: 94-26-8
cas number: 8068-49-3
inchikey: QFOHBWFCKVYLES-UHFFFAOYSA-N
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
smiles: CCCCOC(=O)C1=CC=C(C=C1)O
iupac name: Butyl 4-hydroxybenzoate @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0004702
type: Concept
notation: C4yprbn
type: ChemicalSubstance
pubchem: 7184

tebuthiuron
smiles: CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
cas number: 34014-18-1
formula: C9H16N4OS
type: ChemicalCompound
type: Concept
iupac name: 1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea @en
type: ChemicalSubstance
broader: CHEMONTID_0004668
notation: tebturn
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)
in scheme: Conceptschema Chemische Stoffen
pubchem: 5383
inchikey: HBPDKDSFLXWOAE-UHFFFAOYSA-N

pyridaben
inchikey: DWFZBUWUXWZWKD-UHFFFAOYSA-N
pubchem: 91754
type: Concept
formula: C19H25ClN2OS
in scheme: Conceptschema Chemische Stoffen
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
notation: pyrdbn
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002811
cas number: 96489-71-3

2,6-dimethylheptaan-4-on
alternative label: 2,6-dimethyl-4-heptanon
formula: C9H18O
smiles: CC(C)CC(=O)CC(C)C
cas number: 68514-40-9
inchikey: PTTPXKJBFFKCEK-UHFFFAOYSA-N
broader: CHEMONTID_0000118
is referenced by: LUC IV 000
pubchem: 7958
cas number: 108-83-8
is referenced by: LUC IV 012
notation: 26DC1y4C7on
iupac name: 2,6-Dimethylheptan-4-one @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
is referenced by: LUC IV 007
comment: VLAR II bijl. 4.4.2
type: Concept
inchi: InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
type: ChemicalCompound

1-butaanthiol
inchikey: WQAQPCDUOCURKW-UHFFFAOYSA-N
type: Concept
broader: CHEMONTID_0001212
notation: 1C4atol
inchi: InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
cas number: 23601-34-5
type: ChemicalCompound
pubchem: 8012
cas number: 109-79-5
in scheme: Conceptschema Chemische Stoffen
iupac name: butane-1-thiol @en
cas number: 32812-85-4
smiles: CCCCS
type: ChemicalSubstance
formula: C4H10S

hexadecyltrimethylammonium
cas number: 79631-76-8
iupac name: hexadecyl-trimethylazanium bromide @en
cas number: 69217-35-2
formula: C19H42BrN
cas number: 108779-80-2
cas number: 12294-25-6
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
cas number: 6899-10-1
notation: CTAB
cas number: 57-09-0
inchikey: LZZYPRNAOMGNLH-UHFFFAOYSA-M
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004225
in scheme: Conceptschema Chemische Stoffen
alternative label: cetyltrimethylammoniumbromide
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
cas number: 104302-76-3
pubchem: 5974
type: ChemicalCompound

plutonium 240
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000430
inchi: InChI=1S/Pu/i1-4
notation: Pu240
iupac name: plutonium-240 @en
type: ChemicalSubstance
formula: Pu
cas number: 14119-33-6
pubchem: 104728
inchikey: OYEHPCDNVJXUIW-AHCXROLUSA-N
smiles: [Pu]
in scheme: Conceptschema Chemische Stoffen

dodine
smiles: CCCCCCCCCCCCN=C(N)N.CC(=O)O
cas number: 2439-10-3
notation: dodne
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C15H33N3O2
pubchem: 17110
type: ChemicalCompound
inchikey: YIKWKLYQRFRGPM-UHFFFAOYSA-N
broader: CHEMONTID_0000375
iupac name: acetic acid; 2-dodecylguanidine @en
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)
cas number: 112-65-2
cas number: 51426-08-5
cas number: 15880-99-6
type: ChemicalSubstance
cas number: 96923-04-5

rhodanine
in scheme: Conceptschema Chemische Stoffen
pubchem: 8860
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
formula: C3H3NOS2
notation: rhodnne
smiles: C1C(=O)N=C(S1)S
cas number: 38895-62-4
broader: CHEMONTID_0001923
type: Concept
cas number: 6913-23-1
cas number: 141-84-4
type: ChemicalSubstance
inchikey: KIWUVOGUEXMXSV-UHFFFAOYSA-N
type: ChemicalCompound

dipropetryn
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)
type: Concept
cas number: 4147-51-7
type: ChemicalSubstance
type: ChemicalCompound
formula: C11H21N5S
smiles: CCSC1=NC(=NC(=N1)NC(C)C)NC(C)C
broader: CHEMONTID_0004637
in scheme: Conceptschema Chemische Stoffen
inchikey: NPWMZOGDXOFZIN-UHFFFAOYSA-N
notation: Dprtn
pubchem: 20105
iupac name: 6-ethylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en

chloorfenson
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004309
notation: Clfsn
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
in scheme: Conceptschema Chemische Stoffen
pubchem: 6635
type: ChemicalSubstance
inchikey: RZXLPPRPEOUENN-UHFFFAOYSA-N
cas number: 80-33-1
formula: C12H8Cl2O3S
iupac name: (4-chlorophenyl) 4-chlorobenzenesulfonate @en

alfa+beta endosulfan
cas number: 115-29-7
broader: CHEMONTID_0002074
alternative label: ?-endosulfan
in scheme: Conceptschema Chemische Stoffen
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
type: Concept
cas number: 8003-45-0
pubchem: 3224
cas number: 6994-04-3
inchikey: RDYMFSUJUZBWLH-UHFFFAOYSA-N
type: ChemicalCompound
formula: C9H6Cl6O3S
type: ChemicalSubstance
notation: endsfn
alternative label: endosulfan (som alfa- en beta-isomeer)
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

2,3-dichloorbenzeencarbonzuur
type: Concept
broader: CHEMONTID_0002611
notation: 23DClBencbzr
smiles: C1=CC(=C(C(=C1)Cl)Cl)C(=O)O
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
cas number: 50-45-3
inchikey: QAOJBHRZQQDFHA-UHFFFAOYSA-N
formula: C7H4Cl2O2
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 5765
in scheme: Conceptschema Chemische Stoffen

tolfenaminezuur
type: ChemicalCompound
broader: CHEMONTID_0002948
type: ChemicalSubstance
formula: C14H12ClNO2
notation: tolfAezr
iupac name: 2-[(4-chloro-3-methylphenyl)amino]benzoic acid @en
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)
in scheme: Conceptschema Chemische Stoffen
cas number: 13710-19-5
pubchem: 5507
inchikey: QDNMBJXNLJFNHT-UHFFFAOYSA-N
smiles: CC1=C(C=CC(=C1)NC2=CC=CC=C2C(=O)O)Cl
type: Concept

2,3,4-trichloorbifenyl
inchi: InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H
type: ChemicalSubstance
inchikey: IUYHQGMDSZOPDZ-UHFFFAOYSA-N
iupac name: 1,2,3-trichloro-4-phenylbenzene @en
pubchem: 41541
formula: C12H7Cl3
smiles: C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl
cas number: 25323-68-6
notation: PCB21
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
type: ChemicalCompound
cas number: 55702-46-0
type: Concept

dijodium
notation: I2
pubchem: 807
cas number: 24503-90-0
smiles: II
formula: I2
broader: CHEMONTID_0000432
inchi: InChI=1S/I2/c1-2
type: ChemicalSubstance
type: Concept
cas number: 8012-81-5
in scheme: Conceptschema Chemische Stoffen
cas number: 7553-56-2
cas number: 8031-47-8
inchikey: PNDPGZBMCMUPRI-UHFFFAOYSA-N
iupac name: Molecular iodine @en
cas number: 8012-85-9
type: ChemicalCompound

fenfluthrin
in scheme: Conceptschema Chemische Stoffen
cas number: 67640-14-6
formula: C15H11Cl2F5O2
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001097
pubchem: 128901
iupac name: (2,3,4,5,6-pentafluorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
notation: fenftn
inchikey: YATDSXRLIUJOQN-UHFFFAOYSA-N

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

triazoxide
type: ChemicalSubstance
smiles: C1=CC2=C(C=C1Cl)[N+](=NC(=N2)N3C=CN=C3)[O-]
in scheme: Conceptschema Chemische Stoffen
formula: C10H6ClN5O
inchikey: IQGKIPDJXCAMSM-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 7-chloro-3-imidazol-1-yl-1-oxido-1,2,4-benzotriazin-1-ium @en
notation: TazO
cas number: 72459-58-6
broader: CHEMONTID_0004107
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
pubchem: 93422
type: Concept

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

carbaryl
cas number: 3197-92-0
cas number: 11130-47-5
cas number: 52001-89-5
cas number: 11095-11-7
in scheme: Conceptschema Chemische Stoffen
inchikey: CVXBEEMKQHEXEN-UHFFFAOYSA-N
pubchem: 6129
formula: C12H11NO2
iupac name: naphthalen-1-yl N-methylcarbamate @en
type: ChemicalCompound
type: ChemicalSubstance
cas number: 63-25-2
broader: CHEMONTID_0000023
notation: carbrl
cas number: 51274-03-4
cas number: 27636-33-5
smiles: CNC(=O)OC1=CC=CC2=CC=CC=C21
type: Concept
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)

prallethrin
type: ChemicalSubstance
type: ChemicalCompound
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
type: Concept
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
cas number: 23031-36-9
formula: C19H24O3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001461
inchikey: SMKRKQBMYOFFMU-DRXWIORDSA-N
notation: pralltn

ethylkwikbromide
formula: C2H5BrHg
broader: CHEMONTID_0004442
smiles: CC[Hg]Br
pubchem: 66943
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 107-26-6
type: Concept
notation: C2yHgBr
inchikey: UREACWLAXSOUKG-UHFFFAOYSA-M
iupac name: bromo-ethylmercury @en
type: ChemicalCompound
inchi: InChI=1S/C2H5.BrH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1

pirimicarb-desmethyl
notation: pirmcdC1y
formula: C10H16N4O2
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001262
iupac name: (5,6-dimethyl-2-methylaminopyrimidin-4-yl) N,N-dimethylcarbamate @en
inchikey: GTKRZJVAXAQBMB-UHFFFAOYSA-N
smiles: CC1=C(N=C(N=C1OC(=O)N(C)C)NC)C
pubchem: 93139
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)
type: ChemicalCompound
type: Concept
cas number: 30614-22-3

glycidol
iupac name: oxiran-2-ylmethanol @en
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: C1C(O1)CO
broader: CHEMONTID_0000159
type: ChemicalSubstance
pubchem: 11164
notation: glycdl
cas number: 556-52-5
inchikey: CTKINSOISVBQLD-UHFFFAOYSA-N
inchi: InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
cas number: 98913-54-3
formula: C3H6O2
cas number: 61915-27-3

osalmid
pubchem: 4602
type: ChemicalSubstance
type: ChemicalCompound
cas number: 526-18-1
in scheme: Conceptschema Chemische Stoffen
inchikey: LGCMKPRGGJRYGM-UHFFFAOYSA-N
smiles: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O
type: Concept
broader: CHEMONTID_0004713
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)
formula: C13H11NO3
iupac name: 2-Hydroxy-N-(4-hydroxyphenyl)benzamide @en
notation: osmd

betaxolol
notation: betxll
pubchem: 2369
type: Concept
broader: CHEMONTID_0000139
formula: C18H29NO3
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O
type: ChemicalCompound
type: ChemicalSubstance
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
cas number: 63659-18-7
iupac name: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
inchikey: NWIUTZDMDHAVTP-UHFFFAOYSA-N

verdyl acetaat
pubchem: 98478
cas number: 38621-99-7
broader: CHEMONTID_0001549
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: CC(=O)OC1CC2CC1C3C2CC=C3
notation: DDPA
type: Concept
formula: C12H16O2
type: ChemicalCompound
cas number: 2500-83-6
inchikey: BJLRAKFWOUAROE-UHFFFAOYSA-N
iupac name: 8-tricyclo[5.2.1.02,6]dec-4-enyl acetate @en

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

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

furathiocarb
inchikey: HAWJXYBZNNRMNO-UHFFFAOYSA-N
notation: furtocb
type: ChemicalSubstance
broader: CHEMONTID_0004189
pubchem: 47759
type: ChemicalCompound
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
cas number: 78320-89-5
iupac name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(butoxycarbonyl-methylamino)sulfanyl-N-methylcarbamate @en
cas number: 65907-30-4
in scheme: Conceptschema Chemische Stoffen
formula: C18H26N2O5S
type: Concept

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

chlorpyrifos-methyl
pubchem: 21803
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane @en
alternative label: methylchloorpyrifos
inchi: InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3
cas number: 5598-13-0
type: Concept
notation: C1yClprfs
alternative label: chloorpyrifos-methyl
broader: CHEMONTID_0004623
formula: C7H7Cl3NO3PS
type: ChemicalCompound
inchikey: HRBKVYFZANMGRE-UHFFFAOYSA-N
smiles: COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl

2,4-d 2-ethyl-4-methylpentyl ester
alternative label: 2,4-D 2-ethyl-4-methylpentyl ester
type: ChemicalSubstance
pubchem: 62039
inchikey: FWXSAXJNSVIOLZ-UHFFFAOYSA-N
formula: C16H22Cl2O3
smiles: CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000417
notation: 24D2C2y4C1yC
cas number: 53404-37-8
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
type: ChemicalCompound
type: Concept

3-ethyl-4-methylpyrrol-2,5-dion
cas number: 20189-42-8
inchi: InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)
broader: CHEMONTID_0003203
iupac name: 3-ethyl-4-methylpyrrole-2,5-dione @en
type: ChemicalCompound
pubchem: 29995
notation: 3C2y4C1yprl2
inchikey: CUBICSJJYOPOIA-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C7H9NO2
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CCC1=C(C(=O)NC1=O)C

carbonylsulfide
broader: CHEMONTID_0000004
pubchem: 10039
notation: carbnS
type: Concept
inchikey: JJWKPURADFRFRB-UHFFFAOYSA-N
cas number: 463-58-1
iupac name: sulfanylidenemethanone @en
type: ChemicalSubstance
formula: COS
smiles: C(=O)=S
type: ChemicalCompound
cas number: 20684-88-2
inchi: InChI=1S/COS/c2-1-3
in scheme: Conceptschema Chemische Stoffen

natriumazide
inchi: InChI=1S/N3.Na/c1-3-2;/q-1;+1
inchikey: PXIPVTKHYLBLMZ-UHFFFAOYSA-N
pubchem: 33557
type: ChemicalCompound
cas number: 108592-00-3
type: ChemicalSubstance
formula: N3Na
cas number: 12136-89-9
notation: Naazde
smiles: [N-]=[N+]=[N-].[Na+]
cas number: 157302-08-4
type: Concept
broader: CHEMONTID_0000525
in scheme: Conceptschema Chemische Stoffen
cas number: 20828-18-6
iupac name: SODIUM AZIDE @en
cas number: 26628-22-8

methidation
type: ChemicalSubstance
inchi: InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3
alternative label: methidathion
inchikey: MEBQXILRKZHVCX-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 950-37-8
pubchem: 13709
in scheme: Conceptschema Chemische Stoffen
smiles: COC1=NN(C(=O)S1)CSP(=S)(OC)OC
broader: CHEMONTID_0004770
formula: C6H11N2O4PS3
type: Concept
notation: metdton

fluacrypyrim
in scheme: Conceptschema Chemische Stoffen
notation: fluacprm
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C20H21F3N2O5
broader: CHEMONTID_0004203
pubchem: 9954185
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
cas number: 229977-93-9
inchikey: MXWAGQASUDSFBG-RVDMUPIBSA-N

para-(tertiair-amyl)fenol
inchi: InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
pubchem: 6643
iupac name: 4-(2-methylbutan-2-yl)phenol @en
smiles: CCC(C)(C)C1=CC=C(C=C1)O
type: ChemicalSubstance
notation: pttamFol
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002811
formula: C11H16O
type: Concept
inchikey: NRZWYNLTFLDQQX-UHFFFAOYSA-N
cas number: 80-46-6
type: ChemicalCompound
alternative label: 4-tert-pentylfenol

2-propenylbenzeen
cas number: 128961-80-8
smiles: C=CCC1=CC=CC=C1
iupac name: prop-2-enylbenzene @en
broader: CHEMONTID_0002279
pubchem: 9309
notation: 2C3yeBen
cas number: 57807-91-7
inchi: InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
cas number: 300-57-2
inchikey: HJWLCRVIBGQPNF-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C9H10
in scheme: Conceptschema Chemische Stoffen

guaiene
cas number: 88-84-6
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
iupac name: 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene @en
broader: CHEMONTID_0001550
inchikey: GIBQERSGRNPMEH-UHFFFAOYSA-N
cas number: 34766-41-1
type: ChemicalCompound
pubchem: 6949
notation: guaiene
smiles: CC1CCC(=C(C)C)CC2=C1CCC2C
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

3,3'-dimethoxybenzidine
smiles: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
type: ChemicalCompound
type: ChemicalSubstance
cas number: 119-90-4
inchikey: JRBJSXQPQWSCCF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline @en
formula: C14H16N2O2
broader: CHEMONTID_0003956
cas number: 59777-10-5
notation: 33DC1oxbzdne
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
type: Concept
pubchem: 8411

carbofuran-fenol
type: Concept
type: ChemicalSubstance
smiles: CC1(CC2=C(O1)C(=CC=C2)O)C
iupac name: 2,2-dimethyl-3H-1-benzofuran-7-ol @en
type: ChemicalCompound
inchi: InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004189
notation: carbfrFol
formula: C10H12O2
inchikey: WJGPNUBJBMCRQH-UHFFFAOYSA-N
pubchem: 15278
cas number: 1563-38-8

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

natriumcyclamaat
type: ChemicalSubstance
notation: Naccmt
cas number: 139-05-9
iupac name: Sodium N-cyclohexylsulfamate @en
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
cas number: 53170-91-5
inchikey: UDIPTWFVPPPURJ-UHFFFAOYSA-M
formula: C6H12NNaO3S
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0000365
cas number: 61373-78-2
smiles: C1CCC(CC1)NS(=O)(=O)[O-].[Na+]
type: Concept
pubchem: 8751

quinmerac
pubchem: 91749
smiles: CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1
iupac name: 7-Chloro-3-methylquinoline-8-carboxylic acid @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: quinmrc
inchikey: ALZOLUNSQWINIR-UHFFFAOYSA-N
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)
type: ChemicalCompound
broader: CHEMONTID_0002552
formula: C11H8ClNO2
cas number: 90717-03-6

iridium 190
type: ChemicalSubstance
pubchem: 167220
cas number: 14981-91-0
smiles: [Ir]
inchi: InChI=1S/Ir/i1-2
notation: Ir190
type: ChemicalCompound
formula: Ir
type: Concept
broader: CHEMONTID_0000426
iupac name: iridium-190 @en
inchikey: GKOZUEZYRPOHIO-YPZZEJLDSA-N
in scheme: Conceptschema Chemische Stoffen

diquat
notation: Dqt
in scheme: Conceptschema Chemische Stoffen
cas number: 2764-72-9
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
formula: C12H12N2+2
iupac name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene @en
type: Concept
type: ChemicalSubstance
smiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31
pubchem: 6795
type: ChemicalCompound
inchikey: SYJFEGQWDCRVNX-UHFFFAOYSA-N
broader: CHEMONTID_0001764

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

chloordecone
type: ChemicalSubstance
alternative label: chloordecon
type: ChemicalCompound
broader: CHEMONTID_0001549
notation: cldcne
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
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
formula: C10Cl10O
inchikey: LHHGDZSESBACKH-UHFFFAOYSA-N
cas number: 143-50-0

17alpha-estradiol
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C18H24O2
broader: CHEMONTID_0003570
cas number: 57-91-0
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
type: ChemicalSubstance
pubchem: 68570
notation: 17aestDol
type: ChemicalCompound
alternative label: 17-alfa-estradiol
smiles: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
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
inchikey: VOXZDWNPVJITMN-SFFUCWETSA-N

2,2',3,3',4,4',5,5',6,6'-decabroomdiphenylether
cas number: 145538-74-5
broader: CHEMONTID_0001845
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
notation: PBDE209
type: ChemicalSubstance
cas number: 109945-70-2
type: ChemicalCompound
cas number: 1163-19-5
pubchem: 14410
formula: C12Br10O
alternative label: bde 209
inchikey: WHHGLZMJPXIBIX-UHFFFAOYSA-N
alternative label: decabroomdifenylether (bde209)
iupac name: 1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene @en
in scheme: Conceptschema Chemische Stoffen
type: Concept

2,2',3,3',4,4',5,5',6-nonachloorbifenyl
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
cas number: 53742-07-7
pubchem: 38411
cas number: 40186-72-9
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene @en
notation: PCB206
formula: C12HCl9
inchikey: JFIMDKGRGPNPRQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 55684-91-8
type: Concept
broader: CHEMONTID_0003030
type: ChemicalCompound
type: ChemicalSubstance

ethylpirimifos
iupac name: 4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine @en
type: Concept
formula: C13H24N3O3PS
cas number: 23505-41-1
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: TZBPRYIIJAJUOY-UHFFFAOYSA-N
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
pubchem: 31957
broader: CHEMONTID_0004771
type: ChemicalCompound
notation: C2yprmfs
smiles: CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C

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

isopropenylbenzeen (alfa-methylstyreen)
comment: VLAR II bijl. 4.4.2
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
cas number: 42612-14-6
type: ChemicalCompound
is referenced by: LUC IV 001
smiles: CC(=C)C1=CC=CC=C1
is referenced by: LUC IV 000
type: ChemicalSubstance
inchikey: XYLMUPLGERFSHI-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 011
formula: C9H10
notation: aC1ysrn
cas number: 25014-31-7
alternative label: alfa-methylstyreen
cas number: 98-83-9
broader: CHEMONTID_0000045
type: Concept
pubchem: 7407

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

3,4-dichloortolueen
in scheme: Conceptschema Chemische Stoffen
notation: 34DClTol
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
formula: C7H6Cl2
pubchem: 7256
broader: CHEMONTID_0002564
type: Concept
type: ChemicalSubstance
inchikey: WYUIWKFIFOJVKW-UHFFFAOYSA-N
smiles: CC1=CC(=C(C=C1)Cl)Cl
cas number: 95-75-0
type: ChemicalCompound

mesotrion
inchikey: KPUREKXXPHOJQT-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 175967
type: Concept
type: ChemicalSubstance
notation: meston
in scheme: Conceptschema Chemische Stoffen
formula: C14H13NO7S
cas number: 435270-61-4
cas number: 104206-82-8
iupac name: 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione @en
cas number: 207996-81-4
broader: CHEMONTID_0004673
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

flubendiamide
notation: flubDad
broader: CHEMONTID_0004713
inchikey: ZGNITFSDLCMLGI-UHFFFAOYSA-N
type: ChemicalSubstance
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
formula: C23H22F7IN2O4S
in scheme: Conceptschema Chemische Stoffen
pubchem: 11193251
type: ChemicalCompound
type: Concept
cas number: 272451-65-7

ofurace
notation: ofrce
broader: CHEMONTID_0000394
type: ChemicalCompound
cas number: 58810-48-3
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 75789-32-1
type: ChemicalSubstance
pubchem: 42850
inchikey: OWDLFBLNMPCXSD-UHFFFAOYSA-N
iupac name: 2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide @en
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
smiles: CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl
formula: C14H16ClNO3

epsilon-hexachloorcyclohexaan
iupac name: (1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en
alternative label: ε-hexachlorocyclohexaan
notation: eHCH
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-
alternative label: ε-1,2,3,4,5,6-hexachlorocyclohexaan
in scheme: Conceptschema Chemische Stoffen
inchikey: JLYXXMFPNIAWKQ-DCLYFUHFNA-N
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004485
cas number: 6108-10-7
formula: C6H6Cl6
type: Concept

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

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

2,6-di-tert-butyl-1,4-benzochinon
type: ChemicalCompound
broader: CHEMONTID_0001563
cas number: 719-22-2
notation: 26DttC4y14be
inchikey: RDQSIADLBQFVMY-UHFFFAOYSA-N
formula: C14H20O2
type: Concept
iupac name: 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
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
pubchem: 12867

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

benzoylecgonine
pubchem: 442997
inchikey: GVGYEFKIHJTNQZ-CLRIEMFWSA-N
type: ChemicalSubstance
notation: benzyegnne
iupac name: (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid @en
broader: CHEMONTID_0001350
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C16H19NO4
cas number: 519-09-5
type: Concept

leptofos
cas number: 73307-66-1
in scheme: Conceptschema Chemische Stoffen
notation: leptfs
iupac name: (4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane @en
inchikey: CVRALZAYCYJELZ-UHFFFAOYSA-N
cas number: 73307-67-2
formula: C13H10BrCl2O2PS
broader: CHEMONTID_0004767
cas number: 73270-49-2
pubchem: 30709
cas number: 21609-90-5
type: ChemicalCompound
type: Concept
type: ChemicalSubstance

1,2-dimethyl-4-ethylbenzeen
pubchem: 13629
iupac name: 4-Ethyl-1,2-dimethylbenzene @en
type: Concept
notation: 12DC1y4C2yBe
type: ChemicalSubstance
formula: C10H14
smiles: CCC1=CC(=C(C=C1)C)C
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
cas number: 934-80-5
broader: CHEMONTID_0004210
inchikey: SBUYFICWQNHBCM-UHFFFAOYSA-N
type: ChemicalCompound

dibenzylamine
cas number: 306991-23-1
pubchem: 7656
iupac name: 1-phenyl-N-(phenylmethyl)methanamine @en
notation: DbenzAe
smiles: C1=CC=C(C=C1)CNCC2=CC=CC=C2
type: ChemicalCompound
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
broader: CHEMONTID_0000185
cas number: 103-49-1
inchikey: BWLUMTFWVZZZND-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C14H15N
in scheme: Conceptschema Chemische Stoffen
type: Concept

tricyclazool
type: ChemicalSubstance
inchikey: DQJCHOQLCLEDLL-UHFFFAOYSA-N
pubchem: 39040
iupac name: 8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole @en
type: ChemicalCompound
smiles: CC1=C2C(=CC=C1)SC3=NN=CN23
formula: C9H7N3S
in scheme: Conceptschema Chemische Stoffen
cas number: 41814-78-2
notation: Tcczl
type: Concept
broader: CHEMONTID_0004201
inchi: InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3

2-trifluoromethylbenzamide
in scheme: Conceptschema Chemische Stoffen
cas number: 360-64-5
smiles: C1=CC=C(C(=C1)C(=O)N)C(F)(F)F
type: Concept
broader: CHEMONTID_0004551
pubchem: 67759
inchikey: QBAYIBZITZBSFO-UHFFFAOYSA-N
notation: 2TFC1yBenAd
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
type: ChemicalCompound
type: ChemicalSubstance
formula: C8H6F3NO

tributylamine
inchikey: IMFACGCPASFAPR-UHFFFAOYSA-N
pubchem: 7622
iupac name: N,N-dibutylbutan-1-amine @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 102-82-9
formula: C12H27N
broader: CHEMONTID_0002239
smiles: CCCCN(CCCC)CCCC
cas number: 168153-19-3
notation: TC4yAe
inchi: InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3

3-methylpentaan
notation: 3C1yC5a
type: ChemicalCompound
broader: CHEMONTID_0004620
iupac name: 3-Methylpentane @en
inchikey: PFEOZHBOMNWTJB-UHFFFAOYSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CCC(C)CC
type: ChemicalSubstance
inchi: InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
cas number: 96-14-0
pubchem: 7282
formula: C6H14

thiosemicarbazide
pubchem: 6583
iupac name: aminothiourea @en
smiles: C(=NN)(N)S
broader: CHEMONTID_0001207
inchikey: BRWIZMBXBAOCCF-UHFFFAOYSA-N
notation: tosmcbzde
cas number: 79-19-6
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchi: InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
type: ChemicalSubstance
type: Concept
formula: CH5N3S

2-deaminoactinomycine D
notation: 2dAoatnmcnD
broader: CHEMONTID_0001994
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)
cas number: 10118-32-8
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
pubchem: 99813
alternative label: 2-deaminoactinomycine d
inchikey: ZOWMRHVAQGTFTG-UHFFFAOYSA-N
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
type: ChemicalSubstance
formula: C62H85N11O16

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

natriumhydroxide
type: ChemicalSubstance
formula: HNaO
type: Concept
inchi: InChI=1S/Na.H2O/h;1H2/q+1;/p-1
notation: NaOH
broader: CHEMONTID_0001270
inchikey: HEMHJVSKTPXQMS-UHFFFAOYSA-M
iupac name: SODIUM HYDROXIDE @en
smiles: [OH-].[Na+]
cas number: 1310-73-2
in scheme: Conceptschema Chemische Stoffen
cas number: 8012-01-9
pubchem: 14798
type: ChemicalCompound

natriumnitriet
type: Concept
cas number: 7632-00-0
inchikey: LPXPTNMVRIOKMN-UHFFFAOYSA-M
broader: CHEMONTID_0000644
notation: NNaO2
cas number: 32863-15-3
in scheme: Conceptschema Chemische Stoffen
pubchem: 24269
smiles: N(=O)[O-].[Na+]
formula: NNaO2
type: ChemicalSubstance
cas number: 82998-40-1
type: ChemicalCompound
inchi: InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
iupac name: SODIUM NITRITE @en
cas number: 82497-43-6
cas number: 56227-20-4

oxadiargyl
notation: oxdagl
type: ChemicalCompound
cas number: 39807-15-3
in scheme: Conceptschema Chemische Stoffen
formula: C15H14Cl2N2O3
inchikey: DVOODWOZJVJKQR-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002564
pubchem: 94498
iupac name: 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one @en

butyltetradecanoaat
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
broader: CHEMONTID_0000324
cas number: 110-36-1
type: ChemicalSubstance
inchikey: DHAZIUXMHRHVMP-UHFFFAOYSA-N
iupac name: Butyl tetradecanoate @en
formula: C18H36O2
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 8047
notation: C4yC14aoat
smiles: CCCCCCCCCCCCCC(=O)OCCCC

2,4-dinitrotolueen
iupac name: ['1-Methyl-2,4-dinitrobenzene', 'N,N-dihydroxy-4-methyl-3-nitroaniline'] @en
inchikey: RMBFBMJGBANMMK-UHFFFAOYSA-N
notation: 24DNO2Tol
cas number: 25321-14-6
in scheme: Conceptschema Chemische Stoffen
cas number: 121-14-2
type: Concept
inchi: InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
smiles: CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
pubchem: 8461
cas number: 1326-41-6
type: ChemicalCompound
broader: CHEMONTID_0003969
cas number: 185376-54-9
type: ChemicalSubstance
formula: C7H6N2O4

oleandomycinefosfaat
notation: oladmcnPO4
formula: C35H64NO16P
in scheme: Conceptschema Chemische Stoffen
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
type: Concept
pubchem: 72492
type: ChemicalSubstance
type: ChemicalCompound
inchikey: RLPCJGKQKFMBEI-UOBLTHIJSA-N
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
broader: CHEMONTID_0000282
cas number: 7060-74-4

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

boortrifluoride
iupac name: Trifluoroborane @en
cas number: 109704-87-2
inchikey: WTEOIRVLGSZEPR-UHFFFAOYSA-N
cas number: 372-85-0
cas number: 15875-25-9
type: ChemicalCompound
notation: BTF
smiles: B(F)(F)F
type: Concept
inchi: InChI=1S/BF3/c2-1(3)4
type: ChemicalSubstance
cas number: 20654-88-0
cas number: 155123-44-7
in scheme: Conceptschema Chemische Stoffen
cas number: 7637-07-2
broader: CHEMONTID_0000584
formula: BF3
pubchem: 6356

isocarbofos
iupac name: propan-2-yl 2-(amino-methoxyphosphinothioyl)oxybenzoate @en
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)
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001350
cas number: 24353-61-5
inchikey: YFVOXLJXJBQDEF-UHFFFAOYSA-N
cas number: 39284-27-0
notation: icbfs
formula: C11H16NO4PS
pubchem: 90479
type: Concept
smiles: CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC
in scheme: Conceptschema Chemische Stoffen

pethoxamid
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: petoamd
type: ChemicalSubstance
broader: CHEMONTID_0002279
formula: C16H22ClNO2
inchikey: CSWIKHNSBZVWNQ-UHFFFAOYSA-N
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
pubchem: 6450826
smiles: CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1
cas number: 106700-29-2
iupac name: 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide @en

1-docoseen
inchikey: SPURMHFLEKVAAS-UHFFFAOYSA-N
type: Concept
pubchem: 74138
type: ChemicalCompound
smiles: CCCCCCCCCCCCCCCCCCCCC=C
type: ChemicalSubstance
iupac name: docos-1-ene @en
formula: C22H44
cas number: 29730-67-4
cas number: 93924-10-8
broader: CHEMONTID_0004476
cas number: 1599-67-3
notation: 1C22e
in scheme: Conceptschema Chemische Stoffen

codlemon
pubchem: 1787910
broader: CHEMONTID_0001334
inchikey: CSWBSLXBXRFNST-MQQKCMAXSA-N
smiles: CC=CC=CCCCCCCCO
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C12H22O
cas number: 76600-88-9
cas number: 33956-49-9
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+
type: ChemicalCompound
notation: codlmn
iupac name: ['(8E,10E)-dodeca-8,10-dien-1-ol', 'dodeca-8,10-dien-1-ol'] @en
type: ChemicalSubstance

pyraflufen-ethyl
notation: pyrffnC2y
broader: CHEMONTID_0002019
cas number: 129630-19-9
formula: C15H13Cl2F3N2O4
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: APTZNLHMIGJTEW-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 182951
iupac name: ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate @en

2,2',4,4'-tetrabroombifenyl
notation: PBB52
inchikey: IMEYSCIEAFLSQJ-UHFFFAOYSA-N
pubchem: 91669
type: ChemicalSubstance
cas number: 60044-25-9
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,4-dibromo-2-(2,6-dibromophenyl)benzene @en
formula: C12H6Br4
broader: CHEMONTID_0003954
type: ChemicalCompound
cas number: 59080-37-4
type: Concept
inchi: InChI=1S/C12H6Br4/c13-7-4-5-9(14)8(6-7)12-10(15)2-1-3-11(12)16/h1-6H

pipamperon
type: Concept
cas number: 2448-68-2
broader: CHEMONTID_0004298
pubchem: 17139
inchikey: BMXXSXQVMCXGJM-UHFFFAOYSA-N
formula: C21H32Cl2FN3O2
type: ChemicalCompound
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
cas number: 1893-33-0
notation: pipprn
smiles: C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.[Cl-].[Cl-]
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride @en
type: ChemicalSubstance

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

di-n-butylftalaat
formula: C16H22O4
broader: CHEMONTID_0001350
cas number: 84-74-2
type: ChemicalCompound
pubchem: 3026
notation: DC4yFt
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
alternative label: dibutylftalaat
inchikey: DOIRQSBPFJWKBE-UHFFFAOYSA-N
iupac name: dibutyl benzene-1,2-dicarboxylate @en

tetrafluoretheen
pubchem: 8301
notation: T4FC2e
type: Concept
cas number: 9014-83-9
inchi: InChI=1S/C2F4/c3-1(4)2(5)6
type: ChemicalSubstance
broader: CHEMONTID_0002861
cas number: 116-14-3
smiles: C(=C(F)F)(F)F
inchikey: BFKJFAAPBSQJPD-UHFFFAOYSA-N
formula: C2F4
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,1,2,2-tetrafluoroethene @en
type: ChemicalCompound

4-(dimethylbutylamino)-difenylamine
iupac name: N-(4-methylpentan-2-yl)-N'-phenylbenzene-1,4-diamine @en
cas number: 76600-84-5
inchikey: ZZMVLMVFYMGSMY-UHFFFAOYSA-N
smiles: CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
notation: 4DC1yC4yAoDF
type: ChemicalSubstance
cas number: 793-24-8
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003924
cas number: 50809-58-0
formula: C18H24N2
type: ChemicalCompound
type: Concept
pubchem: 13101
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

dibenz(a,j)acridine
notation: Dbenzajacdne
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
in scheme: Conceptschema Chemische Stoffen
formula: C21H13N
pubchem: 9177
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
inchikey: ANUCHZVCBDOPOX-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003017
cas number: 224-42-0
type: Concept

trans-fosfamidon
cas number: 13170-92-8
smiles: CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl
inchikey: RGCLLPNLLBQHPF-CMDGGOBGSA-N
cas number: 297-99-4
type: ChemicalCompound
iupac name: [(E)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate @en
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+
notation: tfosfmdn
formula: C10H19ClNO5P
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 3033834
type: ChemicalSubstance
broader: CHEMONTID_0003459

terpinhydraat
broader: CHEMONTID_0001401
pubchem: 17141
iupac name: 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol hydrate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 2451-01-6
type: Concept
smiles: CC1(CCC(CC1)C(C)(C)O)O.O
type: ChemicalSubstance
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
inchikey: JGKJMBOJWVAMIJ-UHFFFAOYSA-N
notation: terpihdt
type: ChemicalCompound
formula: C10H22O3

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

dimethyldioctadecylammonium bromide
cas number: 3700-67-2
type: Concept
pubchem: 77293
notation: DC1yDC18yNH4
type: ChemicalSubstance
formula: C38H80BrN
cas number: 134821-46-8
broader: CHEMONTID_0004225
iupac name: dimethyl-dioctadecylazanium bromide @en
in scheme: Conceptschema Chemische Stoffen
inchikey: PSLWZOIUBRXAQW-UHFFFAOYSA-M
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]
type: ChemicalCompound

dipyridamol
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
formula: C24H40N8O4
pubchem: 3108
type: ChemicalSubstance
cas number: 58-32-2
alternative label: dipyramidol
inchikey: IZEKFCXSFNUWAM-UHFFFAOYSA-N
type: ChemicalCompound
notation: Dpyrdml
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0003901
type: Concept

n-(2,4-dimethylfenyl)formamide
broader: CHEMONTID_0000285
inchikey: JOFDPSBOUCXJCC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 60397-77-5
pubchem: 92363
type: ChemicalSubstance
smiles: CC1=CC(=C(C=C1)NC=O)C
iupac name: N-(2,4-dimethylphenyl)formamide @en
formula: C9H11NO
alternative label: N-(2,4-dimethylfenyl)formamide
type: ChemicalCompound
inchi: InChI=1S/C9H11NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-6H,1-2H3,(H,10,11)
notation: N24DC1yFyfAd
type: Concept

2,3',5,5'-tetrachloorbifenyl
pubchem: 38878
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C12H6Cl4/c13-8-1-2-12(16)11(6-8)7-3-9(14)5-10(15)4-7/h1-6H
broader: CHEMONTID_0003030
iupac name: 1,3-dichloro-5-(2,5-dichlorophenyl)benzene @en
formula: C12H6Cl4
notation: PCB72
inchikey: WBTMFEPLVQOWFI-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1Cl)C2=CC(=CC(=C2)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
cas number: 41464-42-0
type: Concept

myosmine
type: ChemicalCompound
cas number: 532-12-7
iupac name: 3-(4,5-dihydro-3H-pyrrol-2-yl)pyridine @en
in scheme: Conceptschema Chemische Stoffen
inchikey: DPNGWXJMIILTBS-UHFFFAOYSA-N
smiles: C1CC(=NC1)C2=CN=CC=C2
formula: C9H10N2
notation: myomne
pubchem: 442649
inchi: InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000089

isouron
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003886
notation: iurn
cas number: 55861-78-4
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)
pubchem: 41648
type: Concept
iupac name: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea @en
inchikey: JLLJHQLUZAKJFH-UHFFFAOYSA-N
smiles: CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C
formula: C10H17N3O2
in scheme: Conceptschema Chemische Stoffen

arseen (vijfwaardig)
cas number: 17428-41-0
notation: AsV
formula: As+5
type: Concept
type: ChemicalCompound
smiles: [As+5]
type: ChemicalSubstance
inchi: InChI=1S/As/q+5
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000431
iupac name: arsenic(+5) cation @en
pubchem: 104737
inchikey: HAYXDMNJJFVXCI-UHFFFAOYSA-N

myclobutanil
cas number: 96281-50-4
in scheme: Conceptschema Chemische Stoffen
formula: C15H17ClN4
iupac name: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile @en
cas number: 88671-89-0
smiles: CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl
pubchem: 6336
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
type: ChemicalSubstance
inchikey: HZJKXKUJVSEEFU-UHFFFAOYSA-N
cas number: 154144-93-1
cas number: 205862-69-7
type: Concept
type: ChemicalCompound
notation: mycbtnl
broader: CHEMONTID_0001099

dirhenium trioxide
inchikey: ASCDQPSSGQOUOI-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 159424
type: ChemicalCompound
notation: DReTO
formula: O7Re2-14
inchi: InChI=1S/7O.2Re/q7*-2;;
smiles: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Re].[Re]
broader: CHEMONTID_0001270
type: ChemicalSubstance
iupac name: oxygen(2-);rhenium @en
cas number: 12060-05-8
type: Concept

silicium
cas number: 72516-03-1
cas number: 7803-62-5
cas number: 152284-21-4
cas number: 71536-23-7
cas number: 72516-02-0
pubchem: 5461123
type: ChemicalSubstance
iupac name: Silicon @en
notation: Si
inchikey: XUIMIQQOPSSXEZ-UHFFFAOYSA-N
smiles: [Si]
inchi: InChI=1S/Si
cas number: 90337-93-2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000431
formula: Si
cas number: 157383-37-4
type: ChemicalCompound
cas number: 72516-01-9
cas number: 160371-18-6
cas number: 7440-21-3
type: Concept
cas number: 17375-03-0

sec-butylacetaat
notation: secC4yactt
type: ChemicalCompound
type: ChemicalSubstance
formula: C6H12O2
inchikey: DCKVNWZUADLDEH-UHFFFAOYSA-N
cas number: 116698-48-7
broader: CHEMONTID_0001238
iupac name: butan-2-yl acetate @en
type: Concept
inchi: InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
smiles: CCC(C)OC(=O)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 7758
cas number: 105-46-4

1,2,3,5-tetrachloorbenzeen
smiles: C1=C(C=C(C(=C1Cl)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
formula: C6H2Cl4
cas number: 634-90-2
pubchem: 12468
broader: CHEMONTID_0001099
cas number: 63697-21-2
type: ChemicalSubstance
inchikey: QZYNWJQFTJXIRN-UHFFFAOYSA-N
inchi: InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
type: Concept
notation: 1235T4ClBen
type: ChemicalCompound
iupac name: 1,2,3,5-Tetrachlorobenzene @en

o-benzidine
type: ChemicalCompound
smiles: C1=CC=C(C(=C1)C2=CC=CC=C2N)N
inchi: InChI=1S/C12H12N2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,13-14H2
pubchem: 15075
iupac name: 2-(2-aminophenyl)aniline @en
inchikey: HOLGXWDGCVTMTB-UHFFFAOYSA-N
type: Concept
formula: C12H12N2
broader: CHEMONTID_0000041
cas number: 1454-80-4
notation: obenzdne
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

tri-m-cresylfosfaat
pubchem: 11232
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
iupac name: tris(3-methylphenyl) phosphate @en
inchikey: RMLPZKRPSQVRAB-UHFFFAOYSA-N
cas number: 563-04-2
broader: CHEMONTID_0004619
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
type: Concept
formula: C21H21O4P
notation: TmcsPO4

mebendazol
pubchem: 4030
type: ChemicalSubstance
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
in scheme: Conceptschema Chemische Stoffen
cas number: 31431-39-7
type: Concept
type: ChemicalCompound
inchikey: OPXLLQIJSORQAM-UHFFFAOYSA-N
notation: mebdzl
broader: CHEMONTID_0000120
formula: C16H13N3O3

1,2-epoxy-3-methylbutaan
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000159
notation: 12epOx3C1yC4
type: Concept
iupac name: (2S)-2-propan-2-yloxirane @en
inchikey: REYZXWIIUPKFTI-RXMQYKEDSA-N
smiles: CC(C)C1CO1
cas number: 1438-14-8
pubchem: 7577875
formula: C5H10O
type: ChemicalSubstance
inchi: InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1

fluormetholon
type: ChemicalSubstance
broader: CHEMONTID_0001468
type: Concept
type: ChemicalCompound
formula: C22H29FO4
pubchem: 9878
notation: Fmtln
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
cas number: 426-13-1
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
in scheme: Conceptschema Chemische Stoffen
inchikey: FAOZLTXFLGPHNG-KNAQIMQKSA-N

teflubenzuron
formula: C14H6Cl2F4N2O2
broader: CHEMONTID_0002564
notation: tefbzrn
in scheme: Conceptschema Chemische Stoffen
cas number: 99039-56-2
type: Concept
cas number: 83121-18-0
type: ChemicalSubstance
inchikey: CJDWRQLODFKPEL-UHFFFAOYSA-N
pubchem: 91734
iupac name: N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide @en
type: ChemicalCompound

nikkelsulfaat
in scheme: Conceptschema Chemische Stoffen
smiles: [O-]S(=O)(=O)[O-].[Ni+2]
type: Concept
notation: NiSO4
cas number: 139939-67-6
type: ChemicalCompound
inchi: InChI=1S/Ni.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
broader: CHEMONTID_0000858
pubchem: 24586
iupac name: nickel(+2) cation sulfate @en
cas number: 7786-81-4
type: ChemicalSubstance
inchikey: LGQLOGILCSXPEA-UHFFFAOYSA-L
formula: NiO4S

dodecaan
type: ChemicalSubstance
cas number: 93924-07-3
formula: C12H26
type: ChemicalCompound
smiles: CCCCCCCCCCCC
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 8182
notation: C12a
cas number: 112-40-3
iupac name: Dodecane @en
cas number: 129813-67-8
inchikey: SNRUBQQJIBEYMU-UHFFFAOYSA-N
inchi: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

10,11-cisdiol carbamazepine
formula: C15H14N2O3
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: PRGQOPPDPVELEG-UHFFFAOYSA-N
pubchem: 83852
iupac name: 5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide @en
notation: 1011cDolcarb
type: Concept
cas number: 35079-97-1
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)
broader: CHEMONTID_0000320

4-ethylheptaan
type: ChemicalCompound
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
notation: 4C2yC7a
smiles: CCCC(CC)CCC
inchi: InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3
formula: C9H20
cas number: 2216-32-2
inchikey: XMROPFQWHHUFFS-UHFFFAOYSA-N
type: Concept
pubchem: 16663
iupac name: 4-ETHYLHEPTANE @en

samarium
iupac name: SAMARIUM @en
inchi: InChI=1S/Sm
cas number: 110123-52-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 23951
cas number: 7440-19-9
notation: Sm
type: Concept
inchikey: KZUNJOHGWZRPMI-UHFFFAOYSA-N
formula: Sm
type: ChemicalCompound
smiles: [Sm]
broader: CHEMONTID_0000429
type: ChemicalSubstance

imazapyr
cas number: 81334-34-1
formula: C13H15N3O3
notation: imzpr
type: ChemicalCompound
cas number: 108224-78-8
type: ChemicalSubstance
pubchem: 54738
in scheme: Conceptschema Chemische Stoffen
cas number: 94795-74-1
inchikey: CLQMBPJKHLGMQK-UHFFFAOYSA-N
type: Concept
iupac name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid @en
broader: CHEMONTID_0000060
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)

hexafluor-1,3-butadieen
type: ChemicalCompound
inchi: InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10
in scheme: Conceptschema Chemische Stoffen
pubchem: 69636
type: Concept
type: ChemicalSubstance
cas number: 685-63-2
broader: CHEMONTID_0002861
iupac name: 1,1,2,3,4,4-Hexafluorobuta-1,3-diene @en
smiles: C(=C(F)F)(C(=C(F)F)F)F
notation: HxF13btDen
formula: C4F6
inchikey: LGPPATCNSOSOQH-UHFFFAOYSA-N

iso-boterzuur
broader: CHEMONTID_0001205
cas number: 79-31-2
smiles: CC(C)C(=O)O
formula: C4H8O2
pubchem: 6590
inchi: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
type: ChemicalSubstance
iupac name: 2-Methylpropanoic acid @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
inchikey: KQNPFQTWMSNSAP-UHFFFAOYSA-N
notation: ibtzr

dibenzo(a,j)antraceen
type: Concept
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
cas number: 224-41-9
pubchem: 9176
type: ChemicalSubstance
notation: DBajAnt
inchikey: KLIHYVJAYWCEDM-UHFFFAOYSA-N
type: ChemicalCompound
formula: C22H14
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
broader: CHEMONTID_0000025
in scheme: Conceptschema Chemische Stoffen

paclitaxel
broader: CHEMONTID_0000676
pubchem: 441276
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
notation: pactxl
inchikey: RCINICONZNJXQF-VAZQATRQSA-N
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
type: Concept
formula: C47H51NO14
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
cas number: 33069-62-4

1,1,2,2-tetrachloorethaan
inchikey: QPFMBZIOSGYJDE-UHFFFAOYSA-N
smiles: C(C(Cl)Cl)(Cl)Cl
formula: C2H2Cl4
type: Concept
notation: 1122T4ClC2a
inchi: InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H
cas number: 79-34-5
pubchem: 6591
broader: CHEMONTID_0001516
iupac name: 1,1,2,2-Tetrachloroethane @en
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

hydrocortison
inchikey: JYGXADMDTFJGBT-VWUMJDOOSA-N
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
type: Concept
formula: C21H30O5
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
cas number: 8063-42-1
cas number: 50-23-7
notation: Hcortsn
broader: CHEMONTID_0003095
cas number: 80562-38-5
type: ChemicalCompound
cas number: 8056-08-4
pubchem: 5754
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

2,2',3,3',4,4',6-heptachloorbifenyl
formula: C12H3Cl7
pubchem: 40478
iupac name: 1,2,3,5-tetrachloro-4-(2,3,4-trichlorophenyl)benzene @en
broader: CHEMONTID_0003030
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
notation: PCB171
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
cas number: 52663-71-5
inchikey: TZMHVHLTPWKZCI-UHFFFAOYSA-N

1,1,2-trichloortrifluorethaan
formula: C2Cl3F3
cas number: 57762-34-2
alternative label: 1,1,2-trichloortrifluor-ethaan
notation: CFK113
cas number: 76-13-1
cas number: 39349-94-5
alternative label: 1,1,2-trichloor-1,2,2-trifluorethaan
in scheme: Conceptschema Chemische Stoffen
inchikey: AJDIZQLSFPQPEY-UHFFFAOYSA-N
broader: CHEMONTID_0004521
type: ChemicalSubstance
type: ChemicalCompound
smiles: C(C(F)(Cl)Cl)(F)(F)Cl
pubchem: 6428
iupac name: 1,1,2-Trichloro-1,2,2-trifluoroethane @en
type: Concept
inchi: InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
cas number: 59948-56-0
cas number: 56996-61-3

2,6-dinitrotolueen
pubchem: 11813
smiles: CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]
inchikey: XTRDKALNCIHHNI-UHFFFAOYSA-N
type: Concept
iupac name: 2-Methyl-1,3-dinitrobenzene @en
type: ChemicalSubstance
formula: C7H6N2O4
notation: 26DNO2Tol
in scheme: Conceptschema Chemische Stoffen
cas number: 606-20-2
broader: CHEMONTID_0003969
type: ChemicalCompound
inchi: InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3

lambda-cyhalothrin
in scheme: Conceptschema Chemische Stoffen
notation: lcyhltn
inchikey: ZXQYGBMAQZUVMI-QQDHXZELSA-N
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
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
broader: CHEMONTID_0001461
cas number: 91465-08-6
formula: C23H19ClF3NO3

buprenorfine
type: Concept
cas number: 55327-62-3
type: ChemicalSubstance
broader: CHEMONTID_0000025
cas number: 53187-13-6
cas number: 53152-21-9
inchikey: UAIXRPCCYXNJMQ-CHLZSUIASA-N
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
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalCompound
cas number: 64425-21-4
pubchem: 11969480
notation: bupofne
cas number: 52485-79-7
formula: C29H42ClNO4

formothion
type: ChemicalSubstance
inchi: InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3
type: ChemicalCompound
smiles: CN(C=O)C(=O)CSP(=S)(OC)OC
cas number: 2540-82-1
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: AIKKULXCBHRFOS-UHFFFAOYSA-N
iupac name: 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide @en
formula: C6H12NO4PS2
broader: CHEMONTID_0001658
notation: formton
pubchem: 17345

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

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

oxytetracycline hydrochloride
formula: C22H25ClN2O9
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: IZRXCFCWDMSBQY-NXURVHCDSA-N
pubchem: 5284437
type: ChemicalSubstance
notation: OxT4ccnHCl
cas number: 2058-46-0
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
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

4-isopropylfenol
type: ChemicalSubstance
inchi: InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
broader: CHEMONTID_0000355
inchikey: YQUQWHNMBPIWGK-UHFFFAOYSA-N
pubchem: 7465
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)C1=CC=C(C=C1)O
cas number: 99-89-8
iupac name: 4-propan-2-ylphenol @en
formula: C9H12O
notation: 4iC3yFol
type: ChemicalCompound
type: Concept

cyromazine
cas number: 66215-27-8
pubchem: 47866
broader: CHEMONTID_0003080
in scheme: Conceptschema Chemische Stoffen
smiles: C1CC1NC2=NC(=NC(=N2)N)N
type: ChemicalCompound
formula: C6H10N6
type: Concept
iupac name: N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine @en
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)
notation: cyrmzne
inchikey: LVQDKIWDGQRHTE-UHFFFAOYSA-N
type: ChemicalSubstance

2,2',3,4,4'-pentachloorbifenyl
iupac name: 1,2,3-trichloro-4-(2,4-dichlorophenyl)benzene @en
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
inchikey: LACXVZHAJMVESG-UHFFFAOYSA-N
notation: PCB85
type: Concept
type: ChemicalCompound
formula: C12H5Cl5
type: ChemicalSubstance
cas number: 65510-45-4
pubchem: 47651
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030

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

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

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

3-ketocarbofuraan
iupac name: (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-methylcarbamate @en
inchikey: WXNZYYXXILQTKX-UHFFFAOYSA-N
pubchem: 27999
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000301
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)
cas number: 16709-30-1
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC1(C(=O)C2=C(O1)C(=CC=C2)OC(=O)NC)C
formula: C12H13NO4
notation: 3ketcbfrn

tripropyleenglycolmonomethylether
broader: CHEMONTID_0001661
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchi: InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3
cas number: 109201-64-1
type: ChemicalCompound
formula: C10H22O4
notation: TC3yegcC1yEt
cas number: 20324-33-8
iupac name: 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol @en
smiles: CC(COC(C)COC(C)COC)O
cas number: 1335-22-4
type: Concept
inchikey: HPFDGTFXAVIVTH-UHFFFAOYSA-N
pubchem: 30111

methoxychloor
iupac name: 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 4115
notation: C1oxCl
type: ChemicalCompound
type: Concept
cas number: 72-43-5
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
inchikey: IAKOZHOLGAGEJT-UHFFFAOYSA-N
alternative label: p,p’-methoxychlor
type: ChemicalSubstance
formula: C16H15Cl3O2
broader: CHEMONTID_0000369

rubidium
broader: CHEMONTID_0000425
inchikey: IGLNJRXAVVLDKE-UHFFFAOYSA-N
cas number: 7440-17-7
pubchem: 5357696
notation: Rb
in scheme: Conceptschema Chemische Stoffen
formula: Rb
type: ChemicalCompound
cas number: 15438-27-4
inchi: InChI=1S/Rb
type: ChemicalSubstance
iupac name: RUBIDIUM @en
type: Concept
smiles: [Rb]
cas number: 22438-27-3

chloordimethylether
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001167
inchikey: XJUZRXYOEPSWMB-UHFFFAOYSA-N
cas number: 107-30-2
type: Concept
type: ChemicalCompound
iupac name: chloro-methoxymethane @en
type: ChemicalSubstance
formula: C2H5ClO
pubchem: 7864
inchi: InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3
notation: ClDC1yEtr
smiles: COCCl

profam
formula: C10H13NO2
type: Concept
smiles: CC(C)OC(=O)NC1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
inchikey: VXPLXMJHHKHSOA-UHFFFAOYSA-N
broader: CHEMONTID_0004714
pubchem: 24685
cas number: 122-42-9
type: ChemicalSubstance
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
type: ChemicalCompound
notation: profm

butylhexadecanoaat
iupac name: Butyl hexadecanoate @en
type: ChemicalSubstance
type: ChemicalCompound
inchikey: GLYJVQDYLFAUFC-UHFFFAOYSA-N
formula: C20H40O2
broader: CHEMONTID_0000324
smiles: CCCCCCCCCCCCCCCC(=O)OCCCC
cas number: 111-06-8
in scheme: Conceptschema Chemische Stoffen
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
pubchem: 8090
type: Concept
notation: C4yC16aoat

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

2,6-diethylaniline
broader: CHEMONTID_0000284
cas number: 71477-82-2
iupac name: 2,6-Diethylaniline @en
inchi: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
formula: C10H15N
type: Concept
smiles: CCC1=C(C(=CC=C1)CC)N
type: ChemicalCompound
pubchem: 11369
inchikey: FOYHNROGBXVLLX-UHFFFAOYSA-N
notation: 26DC2yAn
cas number: 579-66-8
type: ChemicalSubstance

1-(4-isopropylfenyl)-3-methylureum
formula: C11H16N2O
notation: 14iC3yFy3C1y
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001935
pubchem: 182167
type: ChemicalCompound
iupac name: 3-methyl-1-(4-propan-2-ylphenyl)urea @en
smiles: CC(C)C1=CC=C(C=C1)NC(=O)NC
in scheme: Conceptschema Chemische Stoffen
inchikey: DOULWWSSZVEPIN-UHFFFAOYSA-N
cas number: 34123-57-4
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)

(2-methyl-4-chloorfenoxy)azijnzuur (mcpa)
smiles: CC1=C(C=CC(=C1)Cl)OCC(=O)O
alternative label: 2-methyl-4-chloorfenoxyazijnzuur
cas number: 94-74-6
type: ChemicalSubstance
alternative label: mcpa
in scheme: Conceptschema Chemische Stoffen
formula: C9H9ClO3
pubchem: 7204
broader: CHEMONTID_0004525
cas number: 50926-55-1
type: Concept
cas number: 11111-13-0
cas number: 11111-14-1
inchikey: WHKUVVPPKQRRBV-UHFFFAOYSA-N
iupac name: 2-(4-chloro-2-methylphenoxy)acetic acid @en
notation: MCPA
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)
type: ChemicalCompound
alternative label: (4-chloor-2methylfenoxy)azijnzuur

2-undecanon
cas number: 112-12-9
iupac name: Undecan-2-one @en
type: Concept
smiles: CCCCCCCCCC(=O)C
inchikey: KYWIYKKSMDLRDC-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C11H22O
broader: CHEMONTID_0000118
type: ChemicalCompound
notation: 2C11on
pubchem: 8163
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3

picloram
notation: picrm
smiles: C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N
cas number: 1918-02-1
broader: CHEMONTID_0002414
type: ChemicalSubstance
inchikey: NQQVFXUMIDALNH-UHFFFAOYSA-N
type: Concept
formula: C6H3Cl3N2O2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 4-Amino-3,5,6-trichloropyridine-2-carboxylic acid @en
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)
pubchem: 15965

o-allylfenol
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 26761-75-1
pubchem: 15624
broader: CHEMONTID_0004647
notation: oallFol
type: ChemicalSubstance
inchikey: QIRNGVVZBINFMX-UHFFFAOYSA-N
cas number: 1745-81-9
smiles: C=CCC1=CC=CC=C1O
type: ChemicalCompound
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

azitromycine
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
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
cas number: 83905-01-5
formula: C38H72N2O12
inchikey: MQTOSJVFKKJCRP-OHJWJPDZSA-N
type: ChemicalCompound
pubchem: 55185
type: ChemicalSubstance
broader: CHEMONTID_0000282
in scheme: Conceptschema Chemische Stoffen
notation: aztmcne
type: Concept

trifluorazijnzuur
inchikey: DTQVDTLACAAQTR-UHFFFAOYSA-N
type: ChemicalCompound
smiles: C(=O)(C(F)(F)F)O
inchi: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
iupac name: 2,2,2-trifluoroacetic acid @en
formula: C2HF3O2
type: ChemicalSubstance
notation: TFHAc
broader: CHEMONTID_0003000
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 6422
cas number: 76-05-1

3-pentanon
inchikey: FDPIMTJIUBPUKL-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 7288
iupac name: pentan-3-one @en
formula: C5H10O
broader: CHEMONTID_0000118
cas number: 96-22-0
inchi: InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
smiles: CCC(=O)CC
notation: 3C5on
type: ChemicalSubstance

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

trihexyfenidyl
inchikey: HWHLPVGTWGOCJO-UHFFFAOYSA-N
pubchem: 5572
iupac name: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol @en
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
smiles: C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O
formula: C20H31NO
cas number: 144-11-6
type: ChemicalCompound
broader: CHEMONTID_0003899
notation: Thxfidl
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

1-(3,4-dichloorfenyl)-3-methylureum
pubchem: 19113
iupac name: 1-(3,4-Dichlorophenyl)-3-methylurea @en
type: ChemicalSubstance
inchikey: IDQHRQQSSQDLTR-UHFFFAOYSA-N
type: ChemicalCompound
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)
cas number: 3567-62-2
formula: C8H8Cl2N2O
notation: 134DClFy3C1y
smiles: CNC(=O)NC1=CC(=C(C=C1)Cl)Cl
broader: CHEMONTID_0001935
in scheme: Conceptschema Chemische Stoffen
type: Concept

thiofanaat-ethyl
cas number: 37359-51-6
inchikey: YFNCATAIYKQPOO-UHFFFAOYSA-N
cas number: 23564-06-9
type: ChemicalSubstance
iupac name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate @en
type: ChemicalCompound
notation: tofnC2y
broader: CHEMONTID_0002279
cas number: 39300-54-4
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)
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 37233-54-8
formula: C14H18N4O4S2
pubchem: 31991

1-propanol-2-chloorfosfaat
pubchem: 22522
cas number: 6145-73-9
iupac name: Tris(2-chloropropyl) phosphate @en
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
type: Concept
cas number: 101551-02-4
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CC(COP(=O)(OCC(C)Cl)OCC(C)Cl)Cl
notation: 1C3ol2ClPO4
formula: C9H18Cl3O4P
type: ChemicalSubstance
inchikey: GTRSAMFYSUBAGN-UHFFFAOYSA-N
broader: CHEMONTID_0003460

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

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

4-tert-butylfenylglycidylether
cas number: 71281-67-9
type: ChemicalSubstance
cas number: 99938-81-5
type: Concept
cas number: 3101-60-8
iupac name: 2-[(4-tert-butylphenoxy)methyl]oxirane @en
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
smiles: CC(C)(C)C1=CC=C(C=C1)OCC2CO2
cas number: 128994-01-4
pubchem: 18360
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002811
type: ChemicalCompound
cas number: 124632-41-3
notation: 4ttC4yFygcdE
cas number: 29298-03-1
inchikey: HHRACYLRBOUBKM-UHFFFAOYSA-N

desethylterbutylazine
cas number: 30125-63-4
inchikey: LMKQNTMFZLAJDV-UHFFFAOYSA-N
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)
type: ChemicalCompound
smiles: CC(C)(C)NC1=NC(=NC(=N1)N)Cl
type: Concept
type: ChemicalSubstance
notation: desC2ytC4yaz
formula: C7H12ClN5
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001693
pubchem: 108201
iupac name: N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine @en

pentaglyme
type: ChemicalSubstance
inchikey: DMDPGPKXQDIQQG-UHFFFAOYSA-N
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
notation: Peglyme
smiles: COCCOCCOCCOCCOCCOC
in scheme: Conceptschema Chemische Stoffen
pubchem: 70931
iupac name: 1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane @en
broader: CHEMONTID_0001167
formula: C12H26O6
type: Concept
cas number: 1191-87-3
type: ChemicalCompound

1-tetradecanol
cas number: 68002-95-9
cas number: 67762-42-9
type: ChemicalCompound
cas number: 179607-28-4
cas number: 52439-75-5
pubchem: 8209
cas number: 126339-60-4
notation: 1C14ol
broader: CHEMONTID_0002951
type: Concept
smiles: CCCCCCCCCCCCCCO
cas number: 67762-30-5
cas number: 112-72-1
in scheme: Conceptschema Chemische Stoffen
iupac name: tetradecan-1-ol @en
cas number: 126339-59-1
cas number: 71750-71-5
cas number: 8032-14-2
inchikey: HLZKNKRTKFSKGZ-UHFFFAOYSA-N
formula: C14H30O
cas number: 67762-41-8
cas number: 68333-80-2
inchi: InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
cas number: 63393-82-8
cas number: 75782-87-5
cas number: 68855-56-1
cas number: 150138-88-8
cas number: 60650-34-2
type: ChemicalSubstance

3,5-dinitroaniline
notation: 35DNO2An
broader: CHEMONTID_0003968
type: ChemicalSubstance
iupac name: 3,5-Dinitroaniline @en
formula: C6H5N3O4
cas number: 618-87-1
inchikey: MPBZUKLDHPOCLS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
inchi: InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2
type: Concept
pubchem: 12068

hexachloorbenzeen
notation: HCB
cas number: 118-74-1
inchikey: CKAPSXZOOQJIBF-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: 1,2,3,4,5,6-hexachlorobenzene @en
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
formula: C6Cl6
type: Concept
inchi: InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
pubchem: 8370
in scheme: Conceptschema Chemische Stoffen
alternative label: hexachloorbenzeen (hcb)
broader: CHEMONTID_0001099
type: ChemicalCompound

benzyladenine
formula: C12H11N5
broader: CHEMONTID_0003454
inchikey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N
cas number: 3458-19-3
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)
notation: benzadnne
pubchem: 62389
type: ChemicalCompound
cas number: 1214-39-7
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
iupac name: N-(phenylmethyl)-7H-purin-6-amine @en
cas number: 124786-41-0
type: ChemicalSubstance
type: Concept

gamithromycine
cas number: 145435-72-9
type: Concept
broader: CHEMONTID_0000282
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
type: ChemicalSubstance
pubchem: 23725090
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
type: ChemicalCompound
inchikey: VWAMTBXLZPEDQO-FWEXOAGLSA-N
formula: C40H76N2O12
in scheme: Conceptschema Chemische Stoffen

2,2,4-trimethyl-1,3-pentaandiol
type: ChemicalSubstance
broader: CHEMONTID_0001661
cas number: 144-19-4
inchikey: JCTXKRPTIMZBJT-UHFFFAOYSA-N
pubchem: 8946
type: ChemicalCompound
inchi: InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: 224TC1y13C5a
iupac name: 2,2,4-Trimethylpentane-1,3-diol @en
cas number: 127894-68-2
smiles: CC(C)C(C(C)(C)CO)O
formula: C8H18O2

trichlooracetylchloride
type: Concept
cas number: 76-02-8
type: ChemicalSubstance
pubchem: 6420
inchikey: PVFOMCVHYWHZJE-UHFFFAOYSA-N
broader: CHEMONTID_0001022
in scheme: Conceptschema Chemische Stoffen
notation: T4ClC2al
formula: C2Cl4O
iupac name: 2,2,2-trichloroacetyl chloride @en
type: ChemicalCompound
smiles: C(=O)(C(Cl)(Cl)Cl)Cl
inchi: InChI=1S/C2Cl4O/c3-1(7)2(4,5)6

octacosaan
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 630-02-4
inchikey: ZYURHZPYMFLWSH-UHFFFAOYSA-N
formula: C28H58
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC
pubchem: 12408
notation: C28a
broader: CHEMONTID_0002500
iupac name: Octacosane @en

fenvaleraat
type: ChemicalCompound
pubchem: 3347
in scheme: Conceptschema Chemische Stoffen
cas number: 131641-62-8
type: ChemicalSubstance
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
type: Concept
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2-(4-chlorophenyl)-3-methylbutanoate @en
cas number: 67614-33-9
notation: fenvlrt
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
cas number: 51630-58-1
formula: C25H22ClNO3
cas number: 67614-32-8
cas number: 66267-77-4

mianserine
smiles: CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl
in scheme: Conceptschema Chemische Stoffen
pubchem: 68551
type: ChemicalSubstance
cas number: 78644-54-9
cas number: 21535-47-7
cas number: 24219-97-4
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
broader: CHEMONTID_0000320
formula: C18H21ClN2
type: ChemicalCompound
notation: miasrne
type: Concept
inchikey: YNPFMWCWRVTGKJ-UHFFFAOYSA-N
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

2,4-dibroomfenol
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002769
smiles: C1=CC(=C(C=C1Br)Br)O
type: ChemicalSubstance
formula: C6H4Br2O
inchi: InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
inchikey: FAXWFCTVSHEODL-UHFFFAOYSA-N
iupac name: 2,4-Dibromophenol @en
pubchem: 12005
notation: 24DBrFol
cas number: 615-58-7

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

2-(4-broom-2,5-dimethoxyfenyl) ethylamine
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
type: ChemicalSubstance
cas number: 66142-81-2
notation: 24Br25DC1oxF
iupac name: 2-(4-bromo-2,5-dimethoxyphenyl)ethanamine @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004111
formula: C10H14BrNO2
pubchem: 98527
smiles: COC1=CC(=C(C=C1CCN)OC)Br
type: Concept
type: ChemicalCompound
inchikey: YMHOBZXQZVXHBM-UHFFFAOYSA-N

flutriafol
inchikey: JWUCHKBSVLQQCO-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
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
notation: fluTafl
cas number: 87676-93-5
formula: C16H13F2N3O
pubchem: 91727
broader: CHEMONTID_0000369
cas number: 76674-21-0
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

alfa-terpineol
cas number: 7785-53-7
iupac name: 2-[(1R)-4-methyl-1-cyclohex-3-enyl]propan-2-ol @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: aterpnol
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001401
inchikey: WUOACPNHFRMFPN-VIFPVBQESA-N
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
pubchem: 442501
smiles: CC1=CCC(CC1)C(C)(C)O
cas number: 98-55-5
formula: C10H18O

berkelium
type: ChemicalCompound
cas number: 7440-40-6
inchikey: PWVKJRSRVJTHTR-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 23971
inchi: InChI=1S/Bk
broader: CHEMONTID_0000430
type: Concept
iupac name: BERKELIUM @en
formula: Bk
smiles: [Bk]
notation: Bk

chloorthion
pubchem: 10372
smiles: COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl
type: Concept
inchikey: NZNRRXXETLSZRO-UHFFFAOYSA-N
notation: Clton
formula: C8H9ClNO5PS
type: ChemicalCompound
iupac name: (3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidenephosphorane @en
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
cas number: 500-28-7
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
type: ChemicalSubstance

binapacryl
pubchem: 10234
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002319
inchikey: ZRDUSMYWDRPZRM-UHFFFAOYSA-N
type: Concept
iupac name: (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate @en
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
cas number: 485-31-4
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C
notation: binpcl
type: ChemicalCompound
type: ChemicalSubstance
formula: C15H18N2O6

pentachloorfenol
cas number: 39390-77-7
inchi: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
in scheme: Conceptschema Chemische Stoffen
notation: PeClFol
formula: C6HCl5O
cas number: 87-86-5
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
broader: CHEMONTID_0002772
pubchem: 992
iupac name: 2,3,4,5,6-Pentachlorophenol @en
cas number: 101802-54-4
inchikey: IZUPBVBPLAPZRR-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance
type: Concept

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

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

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

difenamide
cas number: 957-51-7
cas number: 73413-06-6
notation: DfAd
formula: C16H17NO
broader: CHEMONTID_0000369
inchikey: QAHFOPIILNICLA-UHFFFAOYSA-N
iupac name: N,N-dimethyl-2,2-di(phenyl)acetamide @en
type: ChemicalCompound
pubchem: 13728
cas number: 5104-31-4
cas number: 12697-94-8
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
type: ChemicalSubstance
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
type: Concept

radium 223
cas number: 15623-45-7
in scheme: Conceptschema Chemische Stoffen
iupac name: radium-223 @en
inchikey: HCWPIIXVSYCSAN-OIOBTWANSA-N
broader: CHEMONTID_0000428
pubchem: 6335825
smiles: [Ra]
inchi: InChI=1S/Ra/i1-3
type: ChemicalSubstance
type: Concept
formula: Ra
notation: Ra223
type: ChemicalCompound

tritium
inchikey: UFHFLCQGNIYNRP-JMRXTUGHSA-N
pubchem: 24824
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
cas number: 10028-17-8
notation: H3
inchi: InChI=1S/H2/h1H/i1+2T
smiles: [HH]
broader: CHEMONTID_0000552
iupac name: Tritium @en
formula: H2
type: ChemicalCompound

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

trichloorethanal
smiles: C(=O)C(Cl)(Cl)Cl
iupac name: 2,2,2-Trichloroacetaldehyde @en
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001516
inchikey: HFFLGKNGCAIQMO-UHFFFAOYSA-N
formula: C2HCl3O
notation: TClC2al
pubchem: 6407
inchi: InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
type: ChemicalCompound
cas number: 75-87-6

tau-fluvalinaat
inchikey: INISTDXBRIBGOC-XMMISQBUSA-N
type: Concept
formula: C26H22ClF3N2O3
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: taufvlnt
cas number: 102851-06-9
broader: CHEMONTID_0004155
pubchem: 91768
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate @en

meclozine
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
formula: C25H27ClN2
inchikey: OCJYIGYOJCODJL-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound
iupac name: 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine @en
notation: meczne
broader: CHEMONTID_0000369
pubchem: 4034
cas number: 569-65-3

2,3,5-trimethylpyrazine
broader: CHEMONTID_0000067
smiles: CC1=CN=C(C(=N1)C)C
iupac name: 2,3,5-Trimethylpyrazine @en
inchi: InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
cas number: 124765-77-1
type: Concept
formula: C7H10N2
type: ChemicalSubstance
notation: 235TC1yprzne
inchikey: IAEGWXHKWJGQAZ-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 14667-55-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 26808

carbadox
inchikey: BPMVRAQIQQEBLN-UHFFFAOYSA-N
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
pubchem: 2553
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
formula: C11H10N4O4
type: Concept
type: ChemicalSubstance
notation: carbdx
smiles: COC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-]
in scheme: Conceptschema Chemische Stoffen
cas number: 6804-07-5
cas number: 39310-25-3
broader: CHEMONTID_0000486
type: ChemicalCompound

1,2,3,7,8,9-hexachloordibenzodioxine
type: ChemicalSubstance
alternative label: 1,2,3,7,8,9-hexachloordibenzo-p-dioxine
broader: CHEMONTID_0000420
type: Concept
notation: PCDD70
alternative label: 1,2,3,7,8,9-hexachloordibenzo-para-dioxine
cas number: 19408-74-3
is referenced by: LUC VI 002
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II+ bijlagen
pubchem: 29575
inchikey: LGIRBUBHIWTVCK-UHFFFAOYSA-N
alternative label: 1,2,3,7,8,9-hexachloordibenzodioxine (hxcdd)
iupac name: 1,2,3,7,8,9-hexachlorooxanthrene @en
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
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

4-tert-butylcyclohexanon
type: ChemicalCompound
cas number: 98-53-3
inchi: InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
type: Concept
formula: C10H18O
broader: CHEMONTID_0003487
inchikey: YKFKEYKJGVSEIX-UHFFFAOYSA-N
iupac name: 4-tert-butylcyclohexan-1-one @en
smiles: CC(C)(C)C1CCC(=O)CC1
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 4ttC4yccC6on
pubchem: 7392

deoxycorticosteron
cas number: 64-85-7
notation: dOxctctrn
formula: C21H30O3
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
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
broader: CHEMONTID_0003095
pubchem: 6166
inchikey: ZESRJSPZRDMNHY-YFWFAHHUSA-N

oxytetracycline
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
inchikey: QRTMTZAUGTXZOA-ZGYDFYMOSA-N
broader: CHEMONTID_0000181
cas number: 6153-64-6
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 5282371
type: ChemicalSubstance
formula: C22H28N2O11
notation: OxT4ccne
type: ChemicalCompound
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

didecyldimethylammoniumchloride
cas number: 126851-24-9
cas number: 7173-51-5
type: Concept
pubchem: 23558
smiles: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]
type: ChemicalSubstance
notation: DDMAC
cas number: 154765-32-9
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
type: ChemicalCompound
formula: C22H48ClN
in scheme: Conceptschema Chemische Stoffen
iupac name: didecyl-dimethylazanium chloride @en
broader: CHEMONTID_0004225
inchikey: RUPBZQFQVRMKDG-UHFFFAOYSA-M

2,2,4-trimethyl-1,3-pentaandioldiisobutyraat
formula: C16H30O4
cas number: 6846-50-0
notation: 224TC1y13C02
broader: CHEMONTID_0000346
inchikey: OMVSWZDEEGIJJI-UHFFFAOYSA-N
pubchem: 23284
smiles: CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C
cas number: 53490-81-6
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
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: [2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate @en
type: Concept

ethaanthiol
formula: C2H6S
type: ChemicalSubstance
notation: C2atol
pubchem: 6343
cas number: 811-51-8
type: ChemicalCompound
broader: CHEMONTID_0001212
cas number: 75-08-1
iupac name: Ethanethiol @en
inchikey: DNJIEGIFACGWOD-UHFFFAOYSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3
smiles: CCS

butylhydroxytolueen
cas number: 42615-30-5
type: Concept
broader: CHEMONTID_0002811
cas number: 102962-45-8
cas number: 950-56-1
smiles: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
cas number: 50641-99-1
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
cas number: 83047-16-9
type: ChemicalCompound
alternative label: butylhydroxytolueen (BHT)
cas number: 128-37-0
type: ChemicalSubstance
cas number: 58500-82-6
pubchem: 31404
in scheme: Conceptschema Chemische Stoffen
formula: C15H24O
notation: BHT
cas number: 52683-46-2
cas number: 97123-41-6
inchikey: NLZUEZXRPGMBCV-UHFFFAOYSA-N
cas number: 50356-19-9
iupac name: 2,6-ditert-butyl-4-methylphenol @en
cas number: 53571-70-3

cis-9,12,15-octadecatrieenzuur methylester
type: ChemicalCompound
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-
smiles: CCC=CCC=CCC=CCCCCCCCC(=O)OC
pubchem: 5319706
in scheme: Conceptschema Chemische Stoffen
cas number: 301-00-8
inchikey: DVWSXZIHSUZZKJ-YSTUJMKBSA-N
formula: C19H32O2
notation: cC18aTzrC1yE
iupac name: methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate @en
type: Concept
broader: CHEMONTID_0000504
type: ChemicalSubstance

malaoxon
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
smiles: CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC
broader: CHEMONTID_0000324
type: ChemicalSubstance
formula: C10H19O7PS
type: Concept
cas number: 1634-78-2
in scheme: Conceptschema Chemische Stoffen
notation: malOon
type: ChemicalCompound
pubchem: 15415
inchikey: WSORODGWGUUOBO-UHFFFAOYSA-N

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

seleniet
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0001076
notation: SeO3
cas number: 14124-67-5
formula: O3Se-2
inchi: InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2
pubchem: 1090
type: Concept
iupac name: selenite @en
inchikey: MCAHWIHFGHIESP-UHFFFAOYSA-L
smiles: [O-][Se](=O)[O-]

dinatriumoxide
in scheme: Conceptschema Chemische Stoffen
iupac name: disodium oxygen(-2) anion @en
cas number: 37382-45-9
cas number: 1313-59-3
notation: Na2O
formula: Na2O
inchikey: KKCBUQHMOMHUOY-UHFFFAOYSA-N
broader: CHEMONTID_0000526
type: ChemicalSubstance
pubchem: 73971
inchi: InChI=1S/2Na.O/q2*+1;-2
type: ChemicalCompound
smiles: [O-2].[Na+].[Na+]
type: Concept

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

2,5-dinitrofenol
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
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]
broader: CHEMONTID_0004505
notation: 25DNO2Fol
pubchem: 9492
cas number: 329-71-5
type: ChemicalCompound
inchikey: UWEZBKLLMKVIPI-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C6H4N2O5

3-(hydroxymethylfosfinoyl)propionzuur
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
pubchem: 84788
broader: CHEMONTID_0001205
type: ChemicalSubstance
formula: C4H9O4P
smiles: CP(=O)(CCC(=O)O)O
inchikey: QXFUBAAEKCHBQY-UHFFFAOYSA-N
iupac name: 3-(hydroxy-methylphosphoryl)propanoic acid @en
notation: 3C1yPppozr
type: Concept
cas number: 15090-23-0

monomethylarseenzuur
inchikey: QYPPRTNMGCREIM-UHFFFAOYSA-N
notation: MC1yAszr
type: ChemicalCompound
formula: CH5AsO3
broader: CHEMONTID_0004239
pubchem: 8948
cas number: 124-58-3
iupac name: Methylarsonic acid @en
type: Concept
smiles: C[As](=O)(O)O
cas number: 35745-11-0
cas number: 4950-59-8
type: ChemicalSubstance
inchi: InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)
in scheme: Conceptschema Chemische Stoffen
alternative label: monomethyl arseenzuur

butylbenzeensulfonamide
cas number: 3622-84-2
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000031
smiles: CCCCNS(=O)(=O)C1=CC=CC=C1
iupac name: N-BUTYLBENZENESULFONAMIDE @en
formula: C10H15NO2S
in scheme: Conceptschema Chemische Stoffen
inchikey: IPRJXAGUEGOFGG-UHFFFAOYSA-N
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
notation: C4yBensfAd
pubchem: 19241
type: ChemicalSubstance

magnesiumchloride
notation: MgCl2
in scheme: Conceptschema Chemische Stoffen
pubchem: 24584
type: ChemicalSubstance
cas number: 77069-22-8
iupac name: Magnesium dichloride @en
inchikey: TWRXJAOTZQYOKJ-UHFFFAOYSA-L
inchi: InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000568
smiles: [Mg+2].[Cl-].[Cl-]
formula: Cl2Mg
cas number: 12285-34-6
cas number: 7786-30-3

broomchloordifluormethaan
smiles: C(F)(F)(Cl)Br
cas number: 353-59-3
iupac name: bromo-chloro-difluoromethane @en
type: ChemicalSubstance
cas number: 11104-73-7
pubchem: 9625
broader: CHEMONTID_0004157
notation: halon1211
type: Concept
inchi: InChI=1S/CBrClF2/c2-1(3,4)5
in scheme: Conceptschema Chemische Stoffen
formula: CBrClF2
inchikey: MEXUFEQDCXZEON-UHFFFAOYSA-N
type: ChemicalCompound

octylfenolpolyethoxylaat
broader: CHEMONTID_0002341
type: Concept
type: ChemicalSubstance
pubchem: 94543
in scheme: Conceptschema Chemische Stoffen
cas number: 51437-89-9
type: ChemicalCompound
cas number: 26636-32-8
smiles: CCCCCCCCC1=CC=C(C=C1)OCCO
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
formula: C16H26O2
iupac name: 2-(4-octylphenoxy)ethanol @en
inchikey: BHNQPLPANNDEGL-UHFFFAOYSA-N

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

2,3,3',4,4',5,6-heptachloorbifenyl
inchikey: TYEDCFVCFDKSBK-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 1,2,3,4,5-pentachloro-6-(3,4-dichlorophenyl)benzene @en
pubchem: 38857
in scheme: Conceptschema Chemische Stoffen
cas number: 41411-64-7
broader: CHEMONTID_0003030
type: ChemicalSubstance
notation: PCB190
type: Concept
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
formula: C12H3Cl7

pyracarbolid
pubchem: 32597
smiles: CC1=C(CCCO1)C(=O)NC2=CC=CC=C2
cas number: 24691-76-7
formula: C13H15NO2
notation: pyrcbld
broader: CHEMONTID_0000285
iupac name: 2-methyl-N-phenyl-5,6-dihydro-4H-pyran-3-carboxamide @en
type: ChemicalSubstance
type: Concept
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)
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: YPCALTGLHFLNGA-UHFFFAOYSA-N

alfuzosin
cas number: 81403-68-1
type: ChemicalSubstance
notation: alfzsn
in scheme: Conceptschema Chemische Stoffen
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
formula: C19H28ClN5O4
iupac name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride @en
broader: CHEMONTID_0002314
inchikey: YTNKWDJILNVLGX-UHFFFAOYSA-N
type: Concept
cas number: 81403-80-7
type: ChemicalCompound
pubchem: 71764

2,3,5-trichloorfenol
cas number: 933-78-8
iupac name: 2,3,5-TRICHLOROPHENOL @en
type: ChemicalSubstance
inchikey: WWGQHTJIFOQAOC-UHFFFAOYSA-N
notation: 235TClFol
in scheme: Conceptschema Chemische Stoffen
formula: C6H3Cl3O
inchi: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
type: Concept
smiles: C1=C(C=C(C(=C1O)Cl)Cl)Cl
pubchem: 13619
type: ChemicalCompound
broader: CHEMONTID_0002771

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

1-(broommethyl)-2-methylbenzeen
cas number: 28777-60-8
cas number: 89-92-9
type: ChemicalCompound
notation: 1BrC1y2C1yBe
type: Concept
iupac name: 1-(Bromomethyl)-2-methylbenzene @en
type: ChemicalSubstance
pubchem: 6992
broader: CHEMONTID_0003979
smiles: CC1=CC=CC=C1CBr
inchikey: WGVYCXYGPNNUQA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C8H9Br
inchi: InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3

tramadol
pubchem: 33741
formula: C16H25NO2
cas number: 27203-92-5
inchikey: TVYLLZQTGLZFBW-ZBFHGGJFSA-N
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000138
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
notation: tramdl
smiles: CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O
iupac name: (1R,2R)-2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol @en

p,p’-ddd
formula: C14H10Cl4
iupac name: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene @en
broader: CHEMONTID_0000369
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
type: Concept
cas number: 72-54-8
type: ChemicalCompound
pubchem: 6294
notation: 44DDD
alternative label: pp'dichloordifenyldichloorethaan
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: AHJKRLASYNVKDZ-UHFFFAOYSA-N
alternative label: 4,4'-dichloordifenyldichloorethaan

aldicarbsulfon
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+
broader: CHEMONTID_0000505
smiles: CC(C)(C=NOC(=O)NC)S(=O)(=O)C
cas number: 60005-95-0
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
iupac name: [(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate @en
pubchem: 9570093
type: ChemicalSubstance
cas number: 1646-88-4
notation: alDcsfn
formula: C7H14N2O4S
inchikey: YRRKLBAKDXSTNC-WEVVVXLNSA-N

4,5-dichloor-3H-1,2-dithiool-3-on
alternative label: 4,5-dichloor-3h-1,2-dithiool-3-on
broader: CHEMONTID_0001030
type: ChemicalSubstance
cas number: 1192-52-5
inchi: InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6
pubchem: 14503
inchikey: QGSRKGWCQSATCL-UHFFFAOYSA-N
iupac name: 4,5-dichlorodithiol-3-one @en
type: Concept
notation: 45DCl3H12Dto
smiles: C1(=C(SSC1=O)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C3Cl2OS2

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

fluometuron
type: ChemicalCompound
iupac name: 1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea @en
pubchem: 16562
type: Concept
cas number: 2164-17-2
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)
inchikey: RZILCCPWPBTYDO-UHFFFAOYSA-N
formula: C10H11F3N2O
notation: fluomtrn
broader: CHEMONTID_0001935
smiles: CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

1,2,3,7,8,9-hexachloordibenzofuran
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
type: ChemicalSubstance
alternative label: 1,2,3,7,8,9-hexachloordibenzofuraan (hxcdf)
in scheme: Conceptschema Chemische Stoffen
pubchem: 51720
is referenced by: LUC VI 002
type: Concept
notation: PCDF124
formula: C12H2Cl6O
type: ChemicalCompound
alternative label: 1,2,3,7,8,9-hexachloordibenzofuraan
broader: CHEMONTID_0003029
inchikey: PYUSJFJVDVSXIU-UHFFFAOYSA-N
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
cas number: 72918-21-9

verdox
inchikey: FINOAUDUYKVGDS-UHFFFAOYSA-N
type: ChemicalSubstance
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
smiles: CC(=O)OC1CCCCC1C(C)(C)C
formula: C12H22O2
type: Concept
broader: CHEMONTID_0001238
cas number: 88-41-5
pubchem: 62334
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: (2-tert-butylcyclohexyl) acetate @en
notation: verdx

chloorpromazine
cas number: 34468-21-8
formula: C17H19ClN2S
inchikey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N
type: ChemicalCompound
smiles: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
type: ChemicalSubstance
pubchem: 2726
type: Concept
broader: CHEMONTID_0000310
notation: Clpmzne
iupac name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine @en
in scheme: Conceptschema Chemische Stoffen
cas number: 50-53-3
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

dicamba-natriumzout
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C8H5Cl2NaO3
iupac name: Sodium 3,6-dichloro-2-methoxybenzoate @en
inchikey: HLZCHRAMVPCKDU-UHFFFAOYSA-M
broader: CHEMONTID_0002345
notation: DcbNazt
type: ChemicalSubstance
smiles: COC1=C(C=CC(=C1C(=O)[O-])Cl)Cl.[Na+]
type: ChemicalCompound
pubchem: 16119
cas number: 1982-69-0
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

oleinezuur
notation: olinzr
alternative label: trans-9-octadeceenzuur
iupac name: ['(E)-octadec-9-enoic acid', 'octadec-9-enoic acid'] @en
formula: C18H34O2
cas number: 112-79-8
cas number: 2027-47-6
broader: CHEMONTID_0002949
smiles: CCCCCCCCC=CCCCCCCCC(=O)O
type: Concept
cas number: 112-80-1
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+
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: ZQPPMHVWECSIRJ-MDZDMXLPSA-N
cas number: 1120-45-2
pubchem: 637517
type: ChemicalSubstance
notation: t9C18ezr

cocaethyleen
notation: cocC2ye
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
broader: CHEMONTID_0001350
iupac name: ethyl (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
pubchem: 65034
inchikey: NMPOSNRHZIWLLL-SSHXOBKSSA-N
cas number: 529-38-4
formula: C18H23NO4
type: ChemicalCompound

perfluoroctaanzuur, zilver(1plus)zout (1-1)
notation: PFOA_Ag
type: Concept
cas number: 335-93-3
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
pubchem: 71079
in scheme: Conceptschema Chemische Stoffen
formula: C8AgF15O2
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0003962
iupac name: silver 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate @en
inchikey: HXWHIGAHMKKVBV-UHFFFAOYSA-M

triazamaat
notation: Tazmt
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
pubchem: 86306
iupac name: ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate @en
type: Concept
formula: C13H22N4O3S
in scheme: Conceptschema Chemische Stoffen
cas number: 110895-43-7
broader: CHEMONTID_0004631
type: ChemicalSubstance
inchikey: NKNFWVNSBIXGLL-UHFFFAOYSA-N
cas number: 112143-82-5
type: ChemicalCompound
smiles: CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

2,3,4-trimethyl-2-penteen
broader: CHEMONTID_0004622
inchikey: SZFRZEBLZFTODC-UHFFFAOYSA-N
smiles: CC(C)C(=C(C)C)C
alternative label: 2,3,4-Trimethyl-2-penteen
inchi: InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6H,1-5H3
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 61665-19-8
iupac name: 2,3,4-trimethylpent-2-ene @en
cas number: 565-77-5
type: ChemicalCompound
notation: 234TC1y2C5e
pubchem: 11270
formula: C8H16

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

benzo(a)pyreen (b)
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
comment: VLAR II (D2) 'benzo(a)pyreen'
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II bijl. 4.4.2
cas number: 42299-33-2
pubchem: 2336
comment: VLAR II bijl. 2.5.8.1.'B(a)P'
notation: BaP
type: Concept
is referenced by: LUC VI 001
cas number: 50-32-8
alternative label: benzo(a)pyreen
cas number: 6699-27-0
cas number: 819804-28-9
iupac name: Benzo[a]pyrene @en
inchikey: FMMWHPNWAFZXNH-UHFFFAOYSA-N
cas number: 34505-58-3
formula: C20H12
broader: CHEMONTID_0000316
comment: VLAR III (D3, diverse art)

neon
cas number: 36826-26-3
inchi: InChI=1S/Ne
in scheme: Conceptschema Chemische Stoffen
cas number: 7440-01-9
smiles: [Ne]
type: ChemicalSubstance
pubchem: 23935
broader: CHEMONTID_0000433
iupac name: NEON @en
type: Concept
inchikey: GKAOGPIIYCISHV-UHFFFAOYSA-N
cas number: 12794-67-1
cas number: 71928-15-9
formula: Ne
notation: Ne
type: ChemicalCompound

helium
smiles: [He]
broader: CHEMONTID_0000433
type: ChemicalSubstance
notation: He
cas number: 14762-55-1
cas number: 71086-78-7
inchi: InChI=1S/He
type: ChemicalCompound
cas number: 494798-31-1
type: Concept
formula: He
in scheme: Conceptschema Chemische Stoffen
inchikey: SWQJXJOGLNCZEY-UHFFFAOYSA-N
cas number: 7440-59-7
pubchem: 23987
iupac name: HELIUM @en

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

fluazifop
notation: fluazfp
formula: C15H12F3NO4
type: ChemicalSubstance
cas number: 121958-44-9
cas number: 69335-91-7
cas number: 93171-48-3
cas number: 86023-37-2
in scheme: Conceptschema Chemische Stoffen
cas number: 87168-00-1
type: ChemicalCompound
inchikey: YUVKUEAFAVKILW-UHFFFAOYSA-N
pubchem: 91701
iupac name: 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid @en
broader: CHEMONTID_0004674
type: Concept
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)

lood
alternative label: lood (Pb)
cas number: 7439-92-1
comment: VLAR II bijl. 4.4.2 'lood en zijn verbindingen, uitgedrukt in Pb'
pubchem: 5352425
type: Concept
type: ChemicalSubstance
cas number: 724427-66-1
cas number: 15158-12-0
inchi: InChI=1S/Pb
type: ChemicalCompound
comment: VLAR II (D2), diverse artikels 'lood'
cas number: 14701-27-0
smiles: [Pb]
comment: VLAR III (D3) 'lood-verbindingen, uitgedrukt als Pb'
cas number: 54076-28-7
comment: VLAR III (D3, diverse art) 'Pb'
definition: lood en loodverbindingen, uitgedrukt als lood (Pb)
is referenced by: LUC III 010
broader: CHEMONTID_0000427
formula: Pb
in scheme: Conceptschema Chemische Stoffen
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'
inchikey: WABPQHHGFIMREM-UHFFFAOYSA-N
comment: VLAR bijl. 2.5.2. 'lood'
notation: Pb
is referenced by: LUC I 002
iupac name: Lead @en

benzo(e)pyreen
pubchem: 9128
cas number: 73467-76-2
formula: C20H12
in scheme: Conceptschema Chemische Stoffen
iupac name: benzo[e]pyrene @en
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000316
notation: BeP
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
inchikey: TXVHTIQJNYSSKO-UHFFFAOYSA-N
type: Concept
cas number: 192-97-2

diethyleenglycol
broader: CHEMONTID_0001167
formula: C4H10O3
notation: DC2yegcl
smiles: C(COCCO)O
in scheme: Conceptschema Chemische Stoffen
inchikey: MTHSVFCYNBDYFN-UHFFFAOYSA-N
cas number: 4669-26-5
type: ChemicalSubstance
iupac name: 2-(2-Hydroxyethoxy)ethanol @en
cas number: 111-46-6
type: Concept
pubchem: 8117
type: ChemicalCompound
inchi: InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

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

octogeen (hmx)
cas number: 141615-54-5
formula: C4H8N8O8
alternative label: octogeen (HMX)
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
cas number: 121631-13-8
smiles: C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
type: ChemicalSubstance
cas number: 5222-46-8
cas number: 66745-90-2
cas number: 97956-01-9
type: ChemicalCompound
inchikey: UZGLIIJVICEWHF-UHFFFAOYSA-N
cas number: 2691-41-0
notation: octgn
broader: CHEMONTID_0001152
type: Concept
iupac name: 1,3,5,7-tetranitro-1,3,5,7-tetrazocane @en
pubchem: 17596
in scheme: Conceptschema Chemische Stoffen
cas number: 66038-26-4

allylalcohol
type: ChemicalSubstance
iupac name: prop-2-en-1-ol @en
smiles: C=CCO
broader: CHEMONTID_0000286
pubchem: 7858
cas number: 107-18-6
inchikey: XXROGKLTLUQVRX-UHFFFAOYSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
type: ChemicalCompound
formula: C3H6O
notation: allachl

tylosine tartraat
type: Concept
cas number: 1405-54-5
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
type: ChemicalCompound
pubchem: 6433274
broader: CHEMONTID_0000282
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
inchikey: ICVKYYINQHWDLM-YLNALPTESA-N
notation: tylsnttt
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C50H83NO23

zwavelhexafluoride (SF6)
alternative label: zwavelhexafluoride (sf6)
pubchem: 17358
notation: SF6
in scheme: Conceptschema Chemische Stoffen
cas number: 36575-03-8
smiles: FS(F)(F)(F)(F)F
cas number: 2551-62-4
type: Concept
cas number: 29267-82-1
alternative label: zwavelhexafluoride
inchikey: SFZCNBIFKDRMGX-UHFFFAOYSA-N
iupac name: hexafluoro-lambda6-sulfane @en
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II (D1, definities broeikasgassen)
formula: F6S
broader: CHEMONTID_0000437
cas number: 59109-69-2
inchi: InChI=1S/F6S/c1-7(2,3,4,5)6

carbamazepine
iupac name: benzo[b][1]benzazepine-11-carboxamide @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 2554
inchikey: FFGPTBGBLSHEPO-UHFFFAOYSA-N
smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
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)
cas number: 298-46-4
broader: CHEMONTID_0000320
type: ChemicalSubstance
notation: carbmzpne
formula: C15H12N2O

rosuvastatine
inchikey: BPRHUIZQVSMCRT-YXWZHEERSA-N
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
type: ChemicalCompound
formula: C22H28FN3O6S
type: Concept
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 6439133
cas number: 287714-41-4
notation: rosvstne
broader: CHEMONTID_0002308

strychnine
broader: CHEMONTID_0002749
formula: C21H22N2O2
pubchem: 441071
cas number: 57-24-9
in scheme: Conceptschema Chemische Stoffen
notation: strychnne
inchikey: QMGVPVSNSZLJIA-FVWCLLPLSA-N
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
type: ChemicalSubstance
type: Concept
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
type: ChemicalCompound

1,3-dichloorpropaan
in scheme: Conceptschema Chemische Stoffen
notation: 13DClC3a
pubchem: 8881
inchikey: YHRUOJUYPBUZOS-UHFFFAOYSA-N
inchi: InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
cas number: 142-28-9
smiles: C(CCl)CCl
type: ChemicalSubstance
iupac name: 1,3-Dichloropropane @en
formula: C3H6Cl2
broader: CHEMONTID_0001516
type: ChemicalCompound
type: Concept

2,2',3,3',4,4'-hexachloorbifenyl
notation: PCB128
in scheme: Conceptschema Chemische Stoffen
cas number: 38380-07-3
type: ChemicalCompound
pubchem: 38018
formula: C12H4Cl6
broader: CHEMONTID_0003030
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
inchikey: BTAGRXWGMYTPBY-UHFFFAOYSA-N
cas number: 11096-82-5
type: ChemicalSubstance
type: Concept

2,6-dichloorbenzamide
cas number: 70852-53-8
smiles: C1=CC(=C(C(=C1)Cl)C(=O)N)Cl
inchikey: JHSPCUHPSIUQRB-UHFFFAOYSA-N
formula: C7H5Cl2NO
pubchem: 16183
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0003098
notation: 26DClBenAd
iupac name: 2,6-Dichlorobenzamide @en
inchi: InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
alternative label: 2,6-dichlorobenzamide (bam)
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2008-58-4

praziquantel
pubchem: 4891
cas number: 57452-31-0
type: ChemicalCompound
formula: C19H24N2O2
type: ChemicalSubstance
notation: prazqtl
inchikey: FSVJFNAIGNNGKK-UHFFFAOYSA-N
cas number: 55268-74-1
cas number: 135526-78-2
iupac name: 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[6,1-a]isoquinolin-4-one @en
broader: CHEMONTID_0002955
type: Concept
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
in scheme: Conceptschema Chemische Stoffen

furfural
smiles: C1=COC(=C1)C=O
alternative label: 2-furaldehyde
pubchem: 7362
comment: VLAREM II bijlage 4.4.2
notation: furfrl
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 98-01-1
inchikey: HYBBIBNJHNGZAN-UHFFFAOYSA-N
iupac name: furan-2-carbaldehyde @en
formula: C5H4O2
type: ChemicalSubstance
broader: CHEMONTID_0003213
type: ChemicalCompound
inchi: InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H

diethyldithiocarbamaat
pubchem: 8990
iupac name: sodium diethylaminomethanedithioate @en
cas number: 149099-81-0
cas number: 19622-06-1
cas number: 148-18-5
broader: CHEMONTID_0004099
in scheme: Conceptschema Chemische Stoffen
formula: C5H10NNaS2
type: Concept
inchikey: IOEJYZSZYUROLN-UHFFFAOYSA-M
notation: DEDC
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
smiles: CCN(CC)C(=S)[S-].[Na+]
cas number: 143189-63-3

4-(3,4-dihydro-2,2,4-trimethyl-2h-1-benzopyran-4-yl)fenol
cas number: 122970-84-7
cas number: 122970-88-1
in scheme: Conceptschema Chemische Stoffen
cas number: 472-41-3
formula: C18H20O2
cas number: 122970-82-5
cas number: 35485-38-2
pubchem: 97788
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002581
cas number: 122970-86-9
inchikey: KXYDGGNWZUHESZ-UHFFFAOYSA-N
cas number: 122970-81-4
cas number: 122970-85-8
notation: 434DH224TC1y
cas number: 122970-87-0
cas number: 56954-97-3
cas number: 122970-83-6
type: Concept
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
alternative label: 4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)fenol
iupac name: 4-(2,2,4-trimethylchroman-4-yl)phenol @en

hexachloorcyclohexaan, alle isomeren
iupac name: 1,2,3,4,5,6-Hexachlorocyclohexane @en
inchikey: JLYXXMFPNIAWKQ-UHFFFAOYSA-N
notation: HCH
cas number: 60291-32-9
cas number: 6108-11-8
type: ChemicalSubstance
cas number: 20437-97-2
cas number: 608-73-1
inchi: InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
in scheme: Conceptschema Chemische Stoffen
cas number: 89609-19-8
cas number: 6108-13-0
cas number: 39284-22-5
broader: CHEMONTID_0004485
cas number: 6108-12-9
smiles: C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
formula: C6H6Cl6
alternative label: lindaan
type: ChemicalCompound
pubchem: 727
alternative label: som hexachloorcyclohexaan-isomeren
type: Concept

spiramycine (I+II+III)
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0000282
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
type: Concept
notation: spirmcne
pubchem: 6419898
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
formula: C43H74N2O14
type: ChemicalSubstance
inchikey: ACTOXUHEUCPTEW-JMRHEKERSA-N
cas number: 8025-81-8
alternative label: spiramycine (i+ii+iii)

2,4',5-trichloorbifenyl
cas number: 16606-02-3
broader: CHEMONTID_0003030
pubchem: 27960
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl
type: ChemicalSubstance
iupac name: 1,4-dichloro-2-(4-chlorophenyl)benzene @en
type: ChemicalCompound
inchikey: VAHKBZSAUKPEOV-UHFFFAOYSA-N
inchi: InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H
cas number: 63439-93-0
notation: PCB31
formula: C12H7Cl3

3,3'-dimethylbenzidine dihydrofluoride
formula: C14H18F2N2
type: Concept
pubchem: 61994
type: ChemicalSubstance
cas number: 41766-75-0
notation: 33DC1ybzdnDH
type: ChemicalCompound
smiles: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F
iupac name: 4-(4-amino-3-methylphenyl)-2-methylaniline dihydrofluoride @en
broader: CHEMONTID_0003956
inchikey: AMCOFRYQNUYHDX-UHFFFAOYSA-N
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
in scheme: Conceptschema Chemische Stoffen

succimer
type: Concept
iupac name: 2,3-bis-sulfanylbutanedioic acid @en
type: ChemicalCompound
notation: succmr
pubchem: 9354
smiles: C(C(C(=O)O)S)(C(=O)O)S
inchi: InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)
cas number: 304-55-2
inchikey: ACTRVOBWPAIOHC-UHFFFAOYSA-N
broader: CHEMONTID_0001423
cas number: 2418-14-6
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C4H6O4S2

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

perfluorpentaansulfonzuur (pfpes)
formula: C5HF11O3S
broader: CHEMONTID_0003961
alternative label: perfluor-1-pentaansulfonzuur
alternative label: perfluor-n-pentaansulfonzuur
type: ChemicalSubstance
inchikey: ACEKLXZRZOWKRY-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid @en
alternative label: perfluor-n-pentaansulfonzuur (pfpes)
notation: PFPeS
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)
pubchem: 75922
notation: PFC5asfzr
cas number: 2706-91-4

epoxiconazole
broader: CHEMONTID_0000253
alternative label: epoxiconazool
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
type: ChemicalSubstance
notation: epxcnzl
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: ZMYFCFLJBGAQRS-DLBZAZTESA-N
type: ChemicalCompound
pubchem: 11067463
cas number: 133855-98-8
formula: C17H13ClFN3O
iupac name: 1-[[(2S,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole @en

methylethylpyridine
inchikey: NTSLROIKFLNUIJ-UHFFFAOYSA-N
formula: C8H11N
inchi: InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3
broader: CHEMONTID_0004152
smiles: CCC1=CN=C(C=C1)C
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: C1yC2yprdne
cas number: 104-90-5
pubchem: 7728
type: ChemicalSubstance
iupac name: 5-Ethyl-2-methylpyridine @en
type: Concept

chloorthalonil
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: Cltlnl
pubchem: 15910
formula: C8Cl4N2
inchi: InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
cas number: 1897-45-6
inchikey: CRQQGFGUEAVUIL-UHFFFAOYSA-N
smiles: C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl
iupac name: 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile @en
type: ChemicalSubstance
cas number: 101963-73-9
broader: CHEMONTID_0001530
type: ChemicalCompound
cas number: 37223-69-1

dimethylchloorthiofosfaat
formula: C2H6ClO2PS
inchi: InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2524-03-0
pubchem: 17304
smiles: COP(=S)(OC)Cl
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001572
iupac name: chloro-dimethoxy-sulfanylidenephosphorane @en
inchikey: XFBJRFNXPUCPKU-UHFFFAOYSA-N
notation: DC1yCltoPO4
type: Concept

fenson
inchikey: SPJOZZSIXXJYBT-UHFFFAOYSA-N
iupac name: (4-chlorophenyl) benzenesulfonate @en
notation: fensn
smiles: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl
pubchem: 6636
cas number: 80-38-6
type: ChemicalSubstance
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
broader: CHEMONTID_0004309
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C12H9ClO3S
type: ChemicalCompound

amitrol
cas number: 29212-82-6
iupac name: 2H-1,2,4-triazol-3-amine @en
smiles: C1=NNC(=N1)N
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
inchi: InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
cas number: 30922-30-6
formula: C2H4N4
cas number: 61-82-5
notation: amtl
type: ChemicalSubstance
broader: CHEMONTID_0000099
pubchem: 1639
in scheme: Conceptschema Chemische Stoffen
inchikey: KLSJWNVTNUYHDU-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound

4-broomfenylfenylether
formula: C12H9BrO
cas number: 101-55-3
iupac name: 1-bromo-4-(phenoxy)benzene @en
broader: CHEMONTID_0001845
pubchem: 7565
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
in scheme: Conceptschema Chemische Stoffen
notation: 4BrFyFyEtr
type: ChemicalCompound
smiles: C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
inchikey: JDUYPUMQALQRCN-UHFFFAOYSA-N

fosetyl-aluminium
type: ChemicalCompound
broader: CHEMONTID_0000323
iupac name: aluminum ethoxy-oxido-oxophosphanium @en
cas number: 39148-24-8
inchi: InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3
notation: fosC2yAl
inchikey: OIPMQULDKWSNGX-UHFFFAOYSA-N
type: Concept
smiles: CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3]
formula: C6H15AlO9P3+3
in scheme: Conceptschema Chemische Stoffen
pubchem: 6328269
type: ChemicalSubstance

dimethyldisulfide
cas number: 624-92-0
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 12232
type: ChemicalSubstance
cas number: 68920-64-9
formula: C2H6S2
type: Concept
smiles: CSSC
inchi: InChI=1S/C2H6S2/c1-3-4-2/h1-2H3
notation: DC1yDS
iupac name: Methyldisulfanylmethane @en
broader: CHEMONTID_0004089
inchikey: WQOXQRCZOLPYPM-UHFFFAOYSA-N

5-ethylideen-2-norborneen
notation: 5C2yid2nbnn
broader: CHEMONTID_0004622
iupac name: ['(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene', '5-ethylidenebicyclo[2.2.1]hept-2-ene'] @en
inchikey: OJOWICOBYCXEKR-KRXBUXKQSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 16219-75-3
type: ChemicalSubstance
type: ChemicalCompound
cas number: 59006-74-5
smiles: CC=C1CC2CC1C=C2
formula: C9H12
cas number: 62181-74-2
type: Concept
inchi: InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+
pubchem: 5365543

lidocaine
type: ChemicalCompound
cas number: 8059-42-5
broader: CHEMONTID_0004209
formula: C14H22N2O
type: ChemicalSubstance
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)
pubchem: 3676
iupac name: 2-diethylamino-N-(2,6-dimethylphenyl)acetamide @en
notation: lidcine
cas number: 91484-71-8
cas number: 137-58-6
inchikey: NNJVILVZKWQKPM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 8059-66-3
smiles: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C
type: Concept

prothioconazol-desthio
pubchem: 119361
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
inchikey: HHUQPWODPBDTLI-UHFFFAOYSA-N
smiles: C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl
cas number: 120983-64-4
type: Concept
broader: CHEMONTID_0001099
formula: C14H15Cl2N3O
type: ChemicalCompound
type: ChemicalSubstance
notation: protocnzdto
in scheme: Conceptschema Chemische Stoffen

triadimefon
iupac name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one @en
cas number: 93779-51-2
inchikey: WURBVZBTWMNKQT-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: Tadmfn
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
formula: C14H16ClN3O2
cas number: 43121-43-3
broader: CHEMONTID_0002341
type: Concept
type: ChemicalSubstance
pubchem: 39385

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

dodecaanzuur
cas number: 8045-27-0
pubchem: 3893
formula: C12H24O2
type: ChemicalCompound
cas number: 143-07-7
inchikey: POULHZVOKOAJMA-UHFFFAOYSA-N
iupac name: Dodecanoic acid @en
inchi: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
type: Concept
smiles: CCCCCCCCCCCC(=O)O
notation: C12azr
cas number: 7632-48-6
broader: CHEMONTID_0003086
cas number: 203714-07-2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 8000-62-2

cesium
inchikey: TVFDJXOCXUVLDH-UHFFFAOYSA-N
iupac name: CESIUM @en
type: ChemicalCompound
formula: Cs
smiles: [Cs]
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 24347-12-4
pubchem: 5354618
type: Concept
notation: Cs
broader: CHEMONTID_0000425
inchi: InChI=1S/Cs
cas number: 7440-46-2

metribuzin
smiles: CC(C)(C)C1=NN=C(N(C1=O)N)SC
broader: CHEMONTID_0004631
iupac name: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one @en
in scheme: Conceptschema Chemische Stoffen
inchikey: FOXFZRUHNHCZPX-UHFFFAOYSA-N
inchi: InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
cas number: 21087-64-9
type: ChemicalCompound
type: ChemicalSubstance
notation: metbzn
formula: C8H14N4OS
type: Concept
pubchem: 30479

ampicilline
cas number: 50584-05-9
inchikey: AVKUERGKIZMTKX-NJBDSQKTSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 69-53-4
type: ChemicalSubstance
cas number: 37234-64-3
pubchem: 6249
cas number: 98520-55-9
broader: CHEMONTID_0000174
type: ChemicalCompound
cas number: 800-79-3
notation: ampclne
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
cas number: 96707-69-6
type: Concept
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
cas number: 8056-87-9
cas number: 33604-21-6
cas number: 47355-94-2
formula: C16H19N3O4S

aminofenazon
iupac name: 4-dimethylamino-1,5-dimethyl-2-phenylpyrazol-3-one @en
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
broader: CHEMONTID_0002019
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 144574-10-7
type: ChemicalSubstance
inchikey: RMMXTBMQSGEXHJ-UHFFFAOYSA-N
cas number: 58-15-1
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C
formula: C13H17N3O
notation: Aofnzn
pubchem: 6009

triclabendazool
type: ChemicalCompound
type: Concept
notation: Tcbdzl
cas number: 68786-66-3
broader: CHEMONTID_0002463
pubchem: 50248
inchikey: NQPDXQQQCQDHHW-UHFFFAOYSA-N
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)
in scheme: Conceptschema Chemische Stoffen
iupac name: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole @en
formula: C14H9Cl3N2OS
type: ChemicalSubstance

2,4,6-trimethylaniline
cas number: 88-05-1
formula: C9H14ClN
type: Concept
inchikey: WUYJXWRFOUCHEB-UHFFFAOYSA-N
cas number: 6334-11-8
pubchem: 22796
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000284
smiles: CC1=CC(=C(C(=C1)C)[NH3+])C.[Cl-]
notation: 246TC1yAn
type: ChemicalCompound
type: ChemicalSubstance
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

2,4-dioctylfenol
inchikey: RLMZELPHRPTNJX-UHFFFAOYSA-N
type: ChemicalCompound
notation: 24DC8yFol
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
pubchem: 74548
type: ChemicalSubstance
smiles: CCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCC
cas number: 1807-29-0
broader: CHEMONTID_0004646
formula: C22H38O
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,4-Dioctylphenol @en
type: Concept

paraldehyde
inchikey: SQYNKIJPMDEDEG-UHFFFAOYSA-N
smiles: CC1OC(OC(O1)C)C
cas number: 51289-71-5
type: Concept
inchi: InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
cas number: 1499-02-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 31264
formula: C6H12O3
broader: CHEMONTID_0001853
notation: parAh
iupac name: 2,4,6-Trimethyl-1,3,5-trioxane @en
cas number: 123-63-7
type: ChemicalCompound
type: ChemicalSubstance

claritromycine
inchikey: AGOYDEPGAOXOCK-KCBOHYOISA-N
cas number: 116836-41-0
notation: clartmcne
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
type: ChemicalSubstance
broader: CHEMONTID_0000282
type: Concept
type: ChemicalCompound
cas number: 81103-11-9
pubchem: 84029
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
formula: C38H69NO13
in scheme: Conceptschema Chemische Stoffen

2,4,6-trinitrofenol
cas number: 189195-39-9
notation: 246TNO2Fol
iupac name: 2,4,6-Trinitrophenol @en
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
cas number: 29663-11-4
type: Concept
inchikey: OXNIZHLAWKMVMX-UHFFFAOYSA-N
broader: CHEMONTID_0000141
pubchem: 6954
type: ChemicalSubstance
cas number: 190402-10-9
cas number: 88-89-1

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

4-chloor-3-methylfenol
type: ChemicalSubstance
smiles: CC1=C(C=CC(=C1)O)Cl
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
inchikey: CFKMVGJGLGKFKI-UHFFFAOYSA-N
iupac name: 4-Chloro-3-methylphenol @en
type: ChemicalCompound
cas number: 59-50-7
notation: 4Cl3C1yFol
pubchem: 1732
broader: CHEMONTID_0001273
formula: C7H7ClO

2,2',4,6'-tetrabroomdifenylether
in scheme: Conceptschema Chemische Stoffen
inchikey: HFDOVSPQVPECFP-UHFFFAOYSA-N
type: ChemicalCompound
notation: PBDE51
broader: CHEMONTID_0003954
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
cas number: 97038-95-4
type: ChemicalSubstance
type: Concept
iupac name: 2,4-dibromo-1-(2,6-dibromophenyl)benzene @en
pubchem: 154509

C.I. Solvent Yellow 34
notation: cisyw34
type: ChemicalSubstance
type: Concept
cas number: 492-80-8
broader: CHEMONTID_0000369
pubchem: 10298
inchikey: JPIYZTWMUGTEHX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-(4-dimethylaminobenzenecarboximidoyl)-N,N-dimethylaniline @en
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
cas number: 105913-60-8
formula: C17H21N3
alternative label: c.i. solvent yellow 34
type: ChemicalCompound

2,7-dimethyloctaan
cas number: 1072-16-8
type: ChemicalSubstance
pubchem: 14070
type: Concept
formula: C10H22
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,7-Dimethyloctane @en
inchi: InChI=1S/C10H22/c1-9(2)7-5-6-8-10(3)4/h9-10H,5-8H2,1-4H3
broader: CHEMONTID_0004620
type: ChemicalCompound
smiles: CC(C)CCCCC(C)C
notation: 27DC1yC8a
inchikey: KEVMYFLMMDUPJE-UHFFFAOYSA-N

norcodeine
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
type: Concept
formula: C17H19NO3
notation: norcdine
inchikey: HKOIXWVRNLGFOR-YANNOFPNSA-N
type: ChemicalCompound
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
type: ChemicalSubstance
cas number: 467-15-2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000058

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

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

tris(dibroompropyl)isocyanuraat
type: ChemicalSubstance
inchikey: NZUPFZNVGSWLQC-UHFFFAOYSA-N
broader: CHEMONTID_0001920
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 103634
cas number: 52434-90-9
formula: C12H15Br6N3O3
type: Concept
iupac name: 1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione @en

tetramethylsilicaat
broader: CHEMONTID_0003265
cas number: 340701-13-5
inchikey: LFQCEHFDDXELDD-UHFFFAOYSA-N
cas number: 681-84-5
inchi: InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3
cas number: 213778-75-7
pubchem: 12682
formula: C4H12O4Si
cas number: 188853-76-1
smiles: CO[Si](OC)(OC)OC
cas number: 251638-46-7
cas number: 294858-92-7
type: ChemicalCompound
cas number: 12547-31-8
iupac name: Tetramethoxysilane @en
in scheme: Conceptschema Chemische Stoffen
cas number: 136959-63-2
cas number: 25498-02-6
type: ChemicalSubstance
notation: T4C1ySiO4
type: Concept
cas number: 113837-65-3
cas number: 299177-59-6
cas number: 143478-32-4
cas number: 12002-26-5

2-chloor-5-methylfenol
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 12008
formula: C7H7ClO
inchikey: SMFHPCZZAAMJJO-UHFFFAOYSA-N
cas number: 68137-05-3
cas number: 615-74-7
inchi: InChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
type: ChemicalSubstance
broader: CHEMONTID_0001273
cas number: 54548-50-4
notation: 2Cl5C1yFol
iupac name: 2-CHLORO-5-METHYLPHENOL @en
smiles: CC1=CC(=C(C=C1)Cl)O

cilazapril
type: Concept
cas number: 88768-40-5
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
notation: cilzpl
inchikey: JQRZBPFGBRIWSN-YOTVLOEGSA-N
cas number: 92077-78-6
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
in scheme: Conceptschema Chemische Stoffen
formula: C22H33N3O6
broader: CHEMONTID_0004830
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 56329

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

didecylftalaat
cas number: 84-77-5
iupac name: didecyl benzene-1,2-dicarboxylate @en
type: ChemicalCompound
broader: CHEMONTID_0001350
type: ChemicalSubstance
type: Concept
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
notation: DC10yFt
formula: C28H46O4
pubchem: 6788
in scheme: Conceptschema Chemische Stoffen
inchikey: PGIBJVOPLXHHGS-UHFFFAOYSA-N

isobutylamine
notation: iC4yAe
inchikey: KDSNLYIMUZNERS-UHFFFAOYSA-N
formula: C4H11N
broader: CHEMONTID_0000469
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
iupac name: 2-methylpropan-1-amine @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)CN
pubchem: 6558
cas number: 78-81-9
inchi: InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3

diethylnitrosamine
pubchem: 5921
in scheme: Conceptschema Chemische Stoffen
smiles: CCN(CC)N=O
cas number: 55-18-5
inchi: InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
inchikey: WBNQDOYYEUMPFS-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound
formula: C4H10N2O
iupac name: N,N-diethylnitrous amide @en
broader: CHEMONTID_0004777
type: ChemicalSubstance
notation: DC2yNOAe

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

n-methylethanolamine
alternative label: N-methylethanolamine
inchi: InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
iupac name: 2-Methylaminoethanol @en
smiles: CNCCO
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 8016
broader: CHEMONTID_0001897
inchikey: OPKOKAMJFNKNAS-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 109-83-1
type: ChemicalSubstance
formula: C3H9NO
notation: NMEA

perfluorhexadecaanzuur
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)
broader: CHEMONTID_0002949
alternative label: perfluor-n-hexadecaanzuur (pfhxda)
type: ChemicalSubstance
type: ChemicalCompound
alternative label: perfluorhexadecaanzuur (pfhxda)
pubchem: 106027
notation: PFHxDA
notation: PFC16azr
cas number: 67905-19-5
in scheme: Conceptschema Chemische Stoffen
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
formula: C16HF31O2
type: Concept
alternative label: perfluor-n-hexadecaanzuur
inchikey: OJMBMWRMTMHMSZ-UHFFFAOYSA-N

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

radon
type: ChemicalCompound
smiles: [Rn]
notation: Rn
type: ChemicalSubstance
broader: CHEMONTID_0000433
iupac name: RADON @en
type: Concept
cas number: 10043-92-2
pubchem: 24857
inchi: InChI=1S/Rn
formula: Rn
inchikey: SYUHGPGVQRZVTB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

selenaat
broader: CHEMONTID_0001075
formula: O4Se-2
type: ChemicalCompound
inchikey: QYHFIVBSNOWOCQ-UHFFFAOYSA-L
type: Concept
smiles: [O-][Se](=O)(=O)[O-]
iupac name: selenate @en
notation: SeO4
inchi: InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
type: ChemicalSubstance
cas number: 14124-68-6
pubchem: 26473
in scheme: Conceptschema Chemische Stoffen

benzamide
type: ChemicalCompound
type: ChemicalSubstance
cas number: 27208-38-4
inchi: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
formula: C7H7NO
smiles: C1=CC=C(C=C1)C(=O)N
pubchem: 2331
broader: CHEMONTID_0000178
type: Concept
inchikey: KXDAEFPNCMNJSK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 55-21-0
iupac name: Benzamide @en
notation: benzAd

difenzoquat
notation: Dfzqt
smiles: CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3
inchikey: LBGPXIPGGRQBJW-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 49866-87-7
formula: C17H17N2+
broader: CHEMONTID_0002019
type: ChemicalSubstance
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

methanal (formaldehyde)
cas number: 53026-80-5
comment: VLAR II (D5, diverse art)
cas number: 8005-38-7
notation: parfAh
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
is referenced by: LUC III 004
comment: VLAR II bijl. 4.4.2
alternative label: paraformaldehyde
type: ChemicalCompound
cas number: 8013-13-6
cas number: 50-00-0
inchikey: WSFSSNUMVMOOMR-UHFFFAOYSA-N
notation: C1al
formula: CH2O
cas number: 12795-06-1
broader: CHEMONTID_0001831
inchi: InChI=1S/CH2O/c1-2/h1H2
cas number: 112068-71-0
comment: VLAR III (D3, diverse art)
alternative label: formaldehyde
smiles: C=O
iupac name: FORMALDEHYDE @en
cas number: 8006-07-3
cas number: 30525-89-4
pubchem: 712
type: Concept

gibberellinezuur
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0004013
cas number: 77-06-5
type: Concept
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
notation: gebbrlnzr
pubchem: 439551
type: ChemicalCompound
type: ChemicalSubstance
formula: C19H22O6
inchikey: IXORZMNAPKEEDV-QTWFBFKQSA-N

tributyltin
inchi: InChI=1S/3C4H9.Sn/c3*1-3-4-2;/h3*1,3-4H2,2H3;/q;;;+1
cas number: 36643-28-4
in scheme: Conceptschema Chemische Stoffen
alternative label: tributyltin (kation)
inchikey: LSKGFBJLYWXIOF-UHFFFAOYSA-N
broader: CHEMONTID_0004072
type: ChemicalSubstance
notation: TC4ySn
pubchem: 37499
smiles: CCCC[Sn+](CCCC)CCCC
formula: C12H27Sn+
iupac name: tributylstannanylium @en
type: Concept
type: ChemicalCompound

amcinonide
pubchem: 39858
notation: amcnnde
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 51022-69-6
type: ChemicalSubstance
type: ChemicalCompound
inchikey: ILKJAFIWWBXGDU-WRRBAOOESA-N
formula: C28H35FO7
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
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
broader: CHEMONTID_0001468

flucythrinaat
inchikey: GBIHOLCMZGAKNG-UHFFFAOYSA-N
type: ChemicalCompound
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
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate @en
pubchem: 50980
cas number: 70124-77-5
notation: fluctnt
type: ChemicalSubstance
broader: CHEMONTID_0001461
cas number: 71611-31-9

perfluorheptaansulfonzuur (pfhps)
type: Concept
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid @en
formula: C7HF15O3S
alternative label: perfluor-1-heptaansulfonzuur
broader: CHEMONTID_0003961
inchikey: OYGQVDSRYXATEL-UHFFFAOYSA-N
type: ChemicalCompound
alternative label: perfluor-n-heptaansulfonzuur (pfhps)
alternative label: perfluor-n-heptaansulfonzuur
cas number: 375-92-8
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
notation: PFHpS
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)
pubchem: 67820
notation: L_PFHpS

flurenol-butyl
type: Concept
type: ChemicalSubstance
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
broader: CHEMONTID_0000020
pubchem: 40816
smiles: CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O
in scheme: Conceptschema Chemische Stoffen
iupac name: Butyl 9-hydroxyfluorene-9-carboxylate @en
cas number: 2314-09-2
formula: C18H18O3
inchikey: PSGPXWYGJGGEEG-UHFFFAOYSA-N
notation: flurnC4y
type: ChemicalCompound

perfluor-4-methoxybutaanzuur
inchikey: CZTBTZZANBJSLY-UHFFFAOYSA-N
smiles: C(=O)(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)O
type: Concept
broader: CHEMONTID_0000483
formula: C5HF9O3
iupac name: 2,2,3,3,4,4-hexafluoro-4-(trifluoromethoxy)butanoic acid @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 12498036
cas number: 863090-89-5
type: ChemicalCompound
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)
notation: PFMOBA
type: ChemicalSubstance

zilver
notation: Ag
formula: Ag
cas number: 87354-45-8
broader: CHEMONTID_0000426
type: Concept
cas number: 12553-68-3
inchikey: BQCADISMDOOEFD-UHFFFAOYSA-N
cas number: 7440-22-4
pubchem: 23954
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 87370-84-1
smiles: [Ag]
inchi: InChI=1S/Ag
iupac name: Silver @en
cas number: 15046-91-0

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

methiocarbsulfon
smiles: CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC
pubchem: 16589
type: Concept
type: ChemicalCompound
notation: metocbsfn
cas number: 2179-25-1
type: ChemicalSubstance
broader: CHEMONTID_0004640
formula: C11H15NO4S
in scheme: Conceptschema Chemische Stoffen
inchikey: RJBJMKAMQIOAML-UHFFFAOYSA-N
iupac name: (3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate @en
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)

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

perfluor-n-undecaanzuur
formula: C11HF21O2
in scheme: Conceptschema Chemische Stoffen
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
alternative label: perfluorundecaanzuur
cas number: 2058-94-8
broader: CHEMONTID_0003962
alternative label: perfluorundecaanzuur (pfunda)
type: Concept
pubchem: 77222
type: ChemicalSubstance
type: ChemicalCompound
inchikey: SIDINRCMMRKXGQ-UHFFFAOYSA-N
notation: PFUdA
alternative label: perfluor-n-undecaanzuur (pfunda)
notation: PFUnDA

neptunium 239
in scheme: Conceptschema Chemische Stoffen
notation: Np239
cas number: 13968-59-7
pubchem: 104958
iupac name: neptunium-239 @en
inchi: InChI=1S/Np/i1+2
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: Np
smiles: [Np]
inchikey: LFNLGNPSGWYGGD-NJFSPNSNSA-N

difenacoum
inchikey: NZOWVZVFSVRNOR-UHFFFAOYSA-N
pubchem: 41735
in scheme: Conceptschema Chemische Stoffen
cas number: 56073-07-5
notation: Dfncm
formula: C31H24O3
broader: CHEMONTID_0002044
iupac name: 2-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one @en
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
type: ChemicalCompound
type: Concept
type: ChemicalSubstance

natriumlaurylsulfaat
inchikey: DBMJMQXJHONAFJ-UHFFFAOYSA-M
cas number: 12738-53-3
formula: C12H25NaO4S
type: Concept
cas number: 1334-67-4
cas number: 74433-77-5
type: ChemicalSubstance
smiles: CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
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
cas number: 12765-21-8
iupac name: Sodium dodecyl sulfate @en
broader: CHEMONTID_0001185
cas number: 111726-87-5
cas number: 58640-35-0
cas number: 121481-64-9
cas number: 61711-39-5
pubchem: 9028
type: ChemicalCompound
notation: NaLySO4
cas number: 51222-39-0
in scheme: Conceptschema Chemische Stoffen
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

2,6-dimethyl-4-heptanol
type: ChemicalSubstance
inchikey: HXQPUEQDBSPXTE-UHFFFAOYSA-N
broader: CHEMONTID_0001661
cas number: 84295-44-3
notation: 26DC1y4C7ol
formula: C9H20O
type: Concept
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 108-82-7

2-chloornaftaleen
type: ChemicalCompound
iupac name: 2-CHLORONAPHTHALENE @en
inchikey: CGYGETOMCSJHJU-UHFFFAOYSA-N
smiles: C1=CC=C2C=C(C=CC2=C1)Cl
type: ChemicalSubstance
notation: 2ClNaf
type: Concept
broader: CHEMONTID_0004794
inchi: InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
formula: C10H7Cl
cas number: 91-58-7
pubchem: 7056
in scheme: Conceptschema Chemische Stoffen

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

fenthion-sulfon
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)(=O)C
inchikey: ZDHYERRNXRANLI-UHFFFAOYSA-N
broader: CHEMONTID_0004748
iupac name: dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidenephosphorane @en
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3761-42-0
pubchem: 19578
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
notation: fentosfn
formula: C10H15O5PS2
type: Concept

acetochloor
broader: CHEMONTID_0000285
type: ChemicalCompound
formula: C14H20ClNO2
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide @en
smiles: CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C
inchikey: VTNQPKFIQCLBDU-UHFFFAOYSA-N
cas number: 34256-82-1
cas number: 123113-74-6
pubchem: 1988
type: Concept
type: ChemicalSubstance
notation: actCl
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

trans-1,4-dichloor-2-buteen
inchi: InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
broader: CHEMONTID_0001516
type: ChemicalSubstance
alternative label: 1,4-dichloor-2-buteen
iupac name: ['1,4-Dichlorobut-2-ene', '(E)-1,4-dichlorobut-2-ene'] @en
inchikey: FQDIANVAWVHZIR-OWOJBTEDSA-N
cas number: 110-57-6
notation: 14DCl2C4e
in scheme: Conceptschema Chemische Stoffen
notation: t14DCl2C4e
type: Concept
formula: C4H6Cl2
cas number: 764-41-0
type: ChemicalCompound
pubchem: 642197
smiles: C(C=CCCl)Cl

som dodecylfenol-isomeren
type: Concept
formula: C18H30O
cas number: 27193-86-8
notation: sC12yFol
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004647
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
smiles: CCCCCCCCCCCCC1=CC=CC=C1O
type: ChemicalSubstance
pubchem: 171144
iupac name: 2-Dodecylphenol @en
type: ChemicalCompound
inchikey: CYEJMVLDXAUOPN-UHFFFAOYSA-N

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

3,4-dinitrotolueen
iupac name: 4-Methyl-1,2-dinitrobenzene @en
inchi: InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
inchikey: INYDMNPNDHRJQJ-UHFFFAOYSA-N
notation: 34DNO2Tol
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 11883
smiles: CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
type: Concept
broader: CHEMONTID_0003969
cas number: 610-39-9
formula: C7H6N2O4
type: ChemicalSubstance

desvenlafaxine
notation: desvlfxne
type: ChemicalCompound
inchikey: KYYIDSXMWOZKMP-UHFFFAOYSA-N
iupac name: 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenol @en
alternative label: o-desmethylvenlafaxine
pubchem: 125017
formula: C16H25NO2
cas number: 93413-62-8
type: ChemicalSubstance
broader: CHEMONTID_0002647
smiles: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O
type: Concept
in scheme: Conceptschema Chemische Stoffen
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

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

etrimfos
formula: C10H17N2O4PS
type: ChemicalSubstance
type: ChemicalCompound
iupac name: (6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidenephosphorane @en
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
inchikey: FGIWFCGDPUIBEZ-UHFFFAOYSA-N
notation: etfs
cas number: 38260-54-7
broader: CHEMONTID_0004771
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 37995
smiles: CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC

2-chlooraceetamide
notation: 2ClacAd
iupac name: 2-Chloroacetamide @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: VXIVSQZSERGHQP-UHFFFAOYSA-N
pubchem: 6580
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004527
inchi: InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
smiles: C(C(=O)N)Cl
cas number: 79-07-2
formula: C2H4ClNO

N-methylaceetamide
formula: C3H7NO
pubchem: 6582
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 1320-47-4
inchi: InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
broader: CHEMONTID_0002484
inchikey: OHLUUHNLEMFGTQ-UHFFFAOYSA-N
notation: NC1yacAd
cas number: 79-16-3
iupac name: N-Methylacetamide @en
smiles: CC(=O)NC
alternative label: n-methylaceetamide
type: ChemicalSubstance
type: Concept

nonaanzuur
type: ChemicalCompound
smiles: CCCCCCCCC(=O)O
inchikey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
inchi: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
cas number: 58253-02-4
notation: C9azr
iupac name: Nonanoic acid @en
type: Concept
type: ChemicalSubstance
formula: C9H18O2
cas number: 68937-75-7
cas number: 112-05-0
pubchem: 8158
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003086

cinchofen
type: ChemicalSubstance
formula: C16H11NO2
iupac name: 2-Phenylquinoline-4-carboxylic acid @en
cas number: 132-60-5
broader: CHEMONTID_0002348
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 8593
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)
notation: cincfn
inchikey: YTRMTPPVNRALON-UHFFFAOYSA-N
type: ChemicalCompound

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

C.I. Solvent Yellow 14
type: ChemicalSubstance
broader: CHEMONTID_0000023
notation: cisyw14
pubchem: 5858445
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-
smiles: C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32
iupac name: ['1-(phenylhydrazinylidene)naphthalen-2-one', '(1Z)-1-(phenylhydrazinylidene)naphthalen-2-one'] @en
cas number: 104407-03-6
type: ChemicalCompound
type: Concept
inchikey: ZONYAPYTDIVJGG-VLGSPTGOSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 842-07-9
alternative label: c.i. solvent yellow 14
formula: C16H12N2O

oxaalzuur
broader: CHEMONTID_0000346
inchikey: MUBZPKHOEPUJKR-UHFFFAOYSA-N
formula: C2H2O4
cas number: 216451-38-6
pubchem: 971
smiles: C(=O)(C(=O)O)O
notation: oxzr
cas number: 144-62-7
type: ChemicalSubstance
iupac name: oxalic acid @en
inchi: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
type: ChemicalCompound
cas number: 2847-15-6
in scheme: Conceptschema Chemische Stoffen
cas number: 97993-78-7
cas number: 63504-28-9
type: Concept

cinnamaldehyde
iupac name: ['(E)-3-phenylprop-2-enal', '3-phenylprop-2-enal'] @en
inchi: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
pubchem: 637511
broader: CHEMONTID_0000029
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: cinnAh
cas number: 14371-10-9
type: Concept
formula: C9H8O
smiles: C1=CC=C(C=C1)C=CC=O
type: ChemicalSubstance
inchikey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N
cas number: 104-55-2

pyrazofos
broader: CHEMONTID_0004623
cas number: 13457-18-6
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C14H20N3O5PS
inchikey: JOOMJVFZQRQWKR-UHFFFAOYSA-N
iupac name: ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate @en
pubchem: 26033
notation: pyrazfs
type: ChemicalSubstance
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

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

5h-dibenz[b,f]azepine
type: Concept
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
formula: C14H11N
type: ChemicalCompound
inchikey: LCGTWRLJTMHIQZ-UHFFFAOYSA-N
cas number: 256-96-2
smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
alternative label: 5H-dibenz[b,f]azepine
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000320
notation: 5HDbenzbfazp
pubchem: 9212
iupac name: 11H-benzo[b][1]benzazepine @en

melkzuur
type: ChemicalCompound
notation: melkzr
cas number: 1715-99-7
type: ChemicalSubstance
inchikey: JVTAAEKCZFNVCJ-UHFFFAOYSA-N
inchi: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
cas number: 50-21-5
cas number: 598-82-3
iupac name: 2-hydroxypropanoic acid @en
cas number: 152-36-3
type: Concept
cas number: 10326-41-7
in scheme: Conceptschema Chemische Stoffen
cas number: 26100-51-6
pubchem: 612
broader: CHEMONTID_0001359
formula: C3H6O3
smiles: CC(C(=O)O)O
cas number: 31587-11-8

johexol
broader: CHEMONTID_0004718
pubchem: 3730
in scheme: Conceptschema Chemische Stoffen
cas number: 66108-95-0
type: Concept
formula: C19H26I3N3O9
iupac name: 5-(acetyl-(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide @en
inchikey: NTHXOOBQLCIOLC-UHFFFAOYSA-N
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)
notation: johxl
type: ChemicalCompound
type: ChemicalSubstance

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

dipropyl-isocinchomeronaat
cas number: 136-45-8
notation: DC3yiccmrnt
in scheme: Conceptschema Chemische Stoffen
formula: C13H17NO4
iupac name: DIPROPYL PYRIDINE-2,5-DICARBOXYLATE @en
type: Concept
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
inchikey: IITCWRFYJWUUPC-UHFFFAOYSA-N
broader: CHEMONTID_0002414
smiles: CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 8693
cas number: 114308-72-4

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

2,6-dichloortolueen
notation: 26DClTol
formula: C7H6Cl2
cas number: 118-69-4
broader: CHEMONTID_0002564
type: Concept
type: ChemicalSubstance
iupac name: 1,3-dichloro-2-methylbenzene @en
pubchem: 8368
inchi: InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
inchikey: DMEDNTFWIHCBRK-UHFFFAOYSA-N
smiles: CC1=C(C=CC=C1Cl)Cl
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

flunisolide
type: ChemicalSubstance
cas number: 3385-03-3
notation: flunslde
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
broader: CHEMONTID_0003095
formula: C24H31FO6
inchikey: XSFJVAJPIHIPKU-XWCQMRHXSA-N
pubchem: 82153
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept

1,4-diethylbenzeen
type: ChemicalSubstance
inchi: InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
inchikey: DSNHSQKRULAAEI-UHFFFAOYSA-N
iupac name: 1,4-DIETHYLBENZENE @en
cas number: 105-05-5
type: Concept
type: ChemicalCompound
smiles: CCC1=CC=C(C=C1)CC
notation: 14DC2yBen
broader: CHEMONTID_0002279
pubchem: 7734
in scheme: Conceptschema Chemische Stoffen
formula: C10H14

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

1,1-dimethylethyl-2-methoxyfenol
formula: C11H16O2
cas number: 53894-31-8
smiles: CC(C)(C)C1=CC(=C(C=C1)O)OC
iupac name: 4-tert-butyl-2-methoxyphenol @en
in scheme: Conceptschema Chemische Stoffen
inchikey: SERZNTMEVJWJSA-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
pubchem: 40919
inchi: InChI=1S/C11H16O2/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5-7,12H,1-4H3
broader: CHEMONTID_0000190
type: ChemicalCompound
notation: 11DC1yC2y2C1

2-nitro-p-cresol
type: ChemicalSubstance
notation: 2NO2pcsl
pubchem: 8391
cas number: 119-33-5
broader: CHEMONTID_0000141
iupac name: 4-Methyl-2-nitrophenol @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
cas number: 68137-08-6
formula: C7H7NO3
type: Concept
inchikey: SYDNSSSQVSOXTN-UHFFFAOYSA-N
cas number: 12167-20-3
smiles: CC1=CC(=C(C=C1)O)[N+](=O)[O-]

bromuron
cas number: 3408-97-7
inchikey: GSNZNZUNAJCHDO-UHFFFAOYSA-N
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)
notation: brmrn
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 18870
type: ChemicalCompound
smiles: CN(C)C(=O)NC1=CC=C(C=C1)Br
broader: CHEMONTID_0001935
type: Concept
iupac name: 3-(4-bromophenyl)-1,1-dimethylurea @en

propachloor
inchikey: MFOUDYKPLGXPGO-UHFFFAOYSA-N
broader: CHEMONTID_0000285
formula: C11H14ClNO
type: ChemicalSubstance
notation: propCl
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
pubchem: 4931
type: Concept
alternative label: propachlor
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)N(C1=CC=CC=C1)C(=O)CCl
cas number: 1918-16-7
type: ChemicalCompound
iupac name: 2-chloro-N-phenyl-N-propan-2-ylacetamide @en
cas number: 63704-81-4

2,4-dimethylhexaan
broader: CHEMONTID_0004620
iupac name: 2,4-Dimethylhexane @en
type: ChemicalCompound
smiles: CCC(C)CC(C)C
type: ChemicalSubstance
notation: 24DC1yC6a
inchikey: HDGQICNBXPAKLR-UHFFFAOYSA-N
cas number: 90622-56-3
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3
pubchem: 11511
cas number: 589-43-5
formula: C8H18

2-nonadecanon
formula: C19H38O
notation: 2C19on
smiles: CCCCCCCCCCCCCCCCCC(=O)C
iupac name: Nonadecan-2-one @en
type: ChemicalCompound
broader: CHEMONTID_0000118
cas number: 629-66-3
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
type: ChemicalSubstance
pubchem: 69423
inchikey: IEDKVDCIEARIIU-UHFFFAOYSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen

diclofop
notation: Dcfp
formula: C15H12Cl2O4
type: Concept
inchikey: OOLBCHYXZDXLDS-UHFFFAOYSA-N
iupac name: 2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID @en
pubchem: 38687
broader: CHEMONTID_0004674
type: ChemicalCompound
type: ChemicalSubstance
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)
cas number: 75045-49-7
in scheme: Conceptschema Chemische Stoffen
cas number: 40843-25-2

distikstofoxide (n2o)
inchikey: GQPLMRYTRLFLPF-UHFFFAOYSA-N
cas number: 130835-71-1
alternative label: distikstofoxide (N2O)
iupac name: nitrous oxide @en
cas number: 175876-44-5
broader: CHEMONTID_0000553
smiles: [N-]=[N+]=O
notation: N2O
type: Concept
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II (D1, definities broeikasgassen)
cas number: 147527-07-9
type: ChemicalSubstance
formula: N2O
cas number: 10024-97-2
comment: VLAR III (D3) 'N2O'
type: ChemicalCompound
cas number: 126386-65-0
alternative label: distikstofoxide (lachgas)
pubchem: 948
inchi: InChI=1S/N2O/c1-2-3
cas number: 129451-49-6

metoxuron
notation: metxrn
type: ChemicalCompound
pubchem: 29863
type: Concept
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)
broader: CHEMONTID_0001935
formula: C10H13ClN2O2
smiles: CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl
type: ChemicalSubstance
inchikey: DSRNRYQBBJQVCW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylurea @en
cas number: 19937-59-8

fluoxetine
inchikey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N
iupac name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine @en
cas number: 57226-07-0
cas number: 54910-89-3
broader: CHEMONTID_0004551
cas number: 52341-67-0
type: ChemicalCompound
notation: fluoxtne
pubchem: 3386
type: ChemicalSubstance
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
formula: C17H18F3NO
type: Concept
in scheme: Conceptschema Chemische Stoffen

transfluthrin
pubchem: 656612
type: ChemicalCompound
inchikey: DDVNRFNDOPPVQJ-HQJQHLMTSA-N
type: ChemicalSubstance
formula: C15H12Cl2F4O2
iupac name: (2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
broader: CHEMONTID_0001097
cas number: 118712-89-3
notation: tftn
type: Concept
in scheme: Conceptschema Chemische Stoffen

2-morfoline(thio)benzothiazool
cas number: 40860-79-5
broader: CHEMONTID_0000311
inchikey: MHKLKWCYGIBEQF-UHFFFAOYSA-N
notation: 2mflntobztaz
smiles: C1COCCN1SC2=NC3=CC=CC=C3S2
type: ChemicalSubstance
pubchem: 7619
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
cas number: 31440-29-6
cas number: 108251-60-1
type: ChemicalCompound
formula: C11H12N2OS2
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 2-morpholin-4-ylsulfanyl-1,3-benzothiazole @en
cas number: 102-77-2
cas number: 35309-99-0

tetrapropylammoniumbromide
notation: T4C3yNH3Br
cas number: 65129-03-5
in scheme: Conceptschema Chemische Stoffen
cas number: 65129-05-7
cas number: 1941-30-6
inchikey: BGQMOFGZRJUORO-UHFFFAOYSA-M
type: ChemicalSubstance
broader: CHEMONTID_0004225
smiles: CCC[N+](CCC)(CCC)CCC.[Br-]
pubchem: 74745
iupac name: tetrapropylazanium bromide @en
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
formula: C12H28BrN
type: Concept
type: ChemicalCompound

coumarin
inchikey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
type: Concept
smiles: C1=CC=C2C(=C1)C=CC(=O)O2
formula: C9H6O2
pubchem: 323
cas number: 91-64-5
notation: coumrn
broader: CHEMONTID_0000145
iupac name: chromen-2-one @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchi: InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

cis-chloorfenvinfos
iupac name: ['[2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate', '[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate'] @en
type: Concept
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-
type: ChemicalCompound
notation: aClfvfs
alternative label: Alfa-chloorfenvinfos
inchikey: FSAVDKDHPDSCTO-WQLSENKSSA-N
type: ChemicalSubstance
cas number: 18708-87-7
pubchem: 5377784
formula: C12H14Cl3O4P
cas number: 135373-33-0
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564

chloorbufam
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)
notation: Clbfm
type: ChemicalCompound
formula: C11H10ClNO2
cas number: 1967-16-4
smiles: CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: but-3-yn-2-yl N-(3-chlorophenyl)carbamate @en
type: Concept
broader: CHEMONTID_0001099
type: ChemicalSubstance
pubchem: 16073
inchikey: ULBXWWGWDPVHAO-UHFFFAOYSA-N

4,4'-diaminodifenylether
type: ChemicalSubstance
inchikey: HLBLWEWZXPIGSM-UHFFFAOYSA-N
type: Concept
cas number: 101-80-4
iupac name: 4-(4-aminophenoxy)aniline @en
smiles: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N
notation: 44DAoDFyEtr
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
broader: CHEMONTID_0004155
pubchem: 7579
formula: C12H12N2O
cas number: 121509-79-3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

quizalofop-ethyl
inchikey: OSUHJPCHFDQAIT-UHFFFAOYSA-N
type: Concept
formula: C19H17ClN2O4
type: ChemicalSubstance
iupac name: ethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 76578-14-8
cas number: 89468-49-5
broader: CHEMONTID_0004677
type: ChemicalCompound
pubchem: 53518
notation: quizlfC2y
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

n-ethylperfluor-n-octaansulfonamido-azijnzuur
notation: EtPFOSAA
cas number: 1336-61-4
type: Concept
alternative label: perfluoroctaansulfonylamide(N-ethyl)azijnzuur
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
notation: EtFOSAA
in scheme: Conceptschema Chemische Stoffen
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)
alternative label: N-ethylperfluoroctaansulfonamido-azijnzuur
broader: CHEMONTID_0003960
alternative label: n-ethylperfluoroctaansulfonamidoazijnzuur
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 18134
formula: C12H8F17NO4S
inchikey: CKRXVVGETMYFIO-UHFFFAOYSA-N
alternative label: n-ethylperfluor-n-octaansulfonamido-azijnzuur (etpfosaa)
cas number: 2991-50-6

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

sulfosulfuron
type: ChemicalSubstance
notation: sulfsfrn
type: ChemicalCompound
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)
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C16H18N6O7S2
cas number: 141776-32-1
pubchem: 86426
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-(2-ethylsulfonylimidazo[3,2-a]pyridin-3-yl)sulfonylurea @en
broader: CHEMONTID_0004705
inchikey: RBSXHDIPCIWOMG-UHFFFAOYSA-N

gibberelline
type: ChemicalCompound
pubchem: 165669
cas number: 8030-53-3
broader: CHEMONTID_0004013
type: Concept
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
notation: gebbrlne
formula: C38H46O10
type: ChemicalSubstance
inchikey: VLCYCUFDXXZIOY-ZFGAUFRASA-N
in scheme: Conceptschema Chemische Stoffen
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

pentanol
smiles: CCCCCO
type: ChemicalSubstance
cas number: 71-41-0
notation: C5ol
inchikey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
inchi: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
broader: CHEMONTID_0000286
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C5H12O
iupac name: Pentan-1-ol @en
pubchem: 6276
type: Concept

5,6,7,8-tetrahydro-3-methylquinoline
inchi: InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h6-7H,2-5H2,1H3
inchikey: GMMKZUPOLVXWFF-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 120028
iupac name: 3-methyl-5,6,7,8-tetrahydroquinoline @en
notation: 5678T4H3C1yq
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001715
formula: C10H13N
cas number: 28712-62-1
smiles: CC1=CC2=C(CCCC2)N=C1
type: ChemicalCompound

2,3,4,6,7,8-hexachloordibenzofuraan
type: ChemicalSubstance
formula: C12H2Cl6O
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
pubchem: 43495
broader: CHEMONTID_0003029
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)
notation: PCDF130
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II+ bijlagen
cas number: 60851-34-5
type: ChemicalCompound
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
inchikey: XTAHLACQOVXINQ-UHFFFAOYSA-N
type: Concept
iupac name: 2,3,4,6,7,8-HEXACHLORODIBENZOFURAN @en

metosulam
cas number: 139528-85-1
broader: CHEMONTID_0004682
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 86422
iupac name: N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide @en
inchikey: VGHPMIFEKOFHHQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: metslm
formula: C14H13Cl2N5O4S

iridium 192
pubchem: 66373
notation: Ir192
in scheme: Conceptschema Chemische Stoffen
formula: Ir
broader: CHEMONTID_0000426
inchikey: GKOZUEZYRPOHIO-IGMARMGPSA-N
inchi: InChI=1S/Ir/i1+0
cas number: 14694-69-0
iupac name: iridium-192 @en
type: ChemicalCompound
smiles: [Ir]
type: Concept
type: ChemicalSubstance

spiramycine ii
cas number: 23684-35-7
inchikey: ZPCCSZFPOXBNDL-RSMXASMKSA-N
cas number: 1405-26-1
cas number: 23684-34-6
notation: spirmcII
pubchem: 5282173
cas number: 18810-02-1
cas number: 1403-58-3
formula: C45H76N2O15
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0000282
alternative label: spiramycine II
type: ChemicalSubstance
type: ChemicalCompound
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
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
cas number: 24916-51-6

tetradecaanzuur, tetradecylester
broader: CHEMONTID_0003322
iupac name: Tetradecyl tetradecanoate @en
pubchem: 18605
smiles: CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
inchikey: DZKXJUASMGQEMA-UHFFFAOYSA-N
formula: C28H56O2
type: ChemicalCompound
cas number: 3234-85-3
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: C14azrC14yEs
type: Concept
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

koper
cas number: 133353-47-6
iupac name: Copper @en
broader: CHEMONTID_0000426
cas number: 72514-83-1
inchi: InChI=1S/Cu
smiles: [Cu]
cas number: 65555-90-0
notation: Cu
cas number: 133353-46-5
in scheme: Conceptschema Chemische Stoffen
inchikey: RYGMFSIKBFXOCR-UHFFFAOYSA-N
cas number: 195161-80-9
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
pubchem: 23978
formula: Cu
cas number: 7440-50-8

1,3-dihydroxybenzeen
inchikey: GHMLBKRAJCXXBS-UHFFFAOYSA-N
broader: CHEMONTID_0000137
type: ChemicalSubstance
cas number: 26982-54-7
type: ChemicalCompound
type: Concept
notation: 13DHOxBen
smiles: C1=CC(=CC(=C1)O)O
iupac name: benzene-1,3-diol @en
cas number: 108-46-3
inchi: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
in scheme: Conceptschema Chemische Stoffen
formula: C6H6O2
pubchem: 5054

oxadixyl
inchikey: UWVQIROCRJWDKL-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 77732-09-3
smiles: CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O
type: ChemicalSubstance
notation: OaDxl
type: Concept
pubchem: 53735
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
formula: C14H18N2O4
iupac name: N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000285

benzyldimethyloctadecylammoniumchloride
notation: benzDC1yC18y
cas number: 37243-60-0
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
cas number: 37612-69-4
in scheme: Conceptschema Chemische Stoffen
inchikey: SFVFIFLLYFPGHH-UHFFFAOYSA-M
type: ChemicalSubstance
cas number: 122-19-0
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
pubchem: 31204
type: Concept
broader: CHEMONTID_0003977
formula: C27H50ClN
iupac name: benzyl-dimethyl-octadecylazanium chloride @en
type: ChemicalCompound
cas number: 60650-76-2
cas number: 89004-38-6

difenyl
type: ChemicalCompound
type: ChemicalSubstance
cas number: 56481-93-7
iupac name: Phenylbenzene @en
formula: C12H10
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
cas number: 81846-81-3
cas number: 72931-46-5
cas number: 92-52-4
broader: CHEMONTID_0000041
cas number: 68409-73-4
notation: biFy
smiles: C1=CC=C(C=C1)C2=CC=CC=C2
type: Concept
pubchem: 7095
alternative label: bifenyl
inchikey: ZUOUZKKEUPVFJK-UHFFFAOYSA-N

eprinomectin
inchikey: WPNHOHPRXXCPRA-TVXIRPTOSA-N
type: ChemicalSubstance
pubchem: 6450531
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
cas number: 159628-36-1
cas number: 123997-26-2
formula: C49H73NO14
type: Concept
notation: epnmtn
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalCompound
broader: CHEMONTID_0000147

fluorantheen (b)
broader: CHEMONTID_0000023
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
pubchem: 9154
cas number: 206-44-0
inchikey: GVEPBJHOBDJJJI-UHFFFAOYSA-N
alternative label: fluoranteen
type: ChemicalSubstance
formula: C16H10
iupac name: FLUORANTHENE @en
notation: Flu
is referenced by: LUC VI 001
cas number: 76774-50-0
alternative label: fluorantheen
smiles: C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4
type: Concept

4-nitrodifenyl
pubchem: 7114
inchi: InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
cas number: 92-93-3
type: ChemicalSubstance
iupac name: 1-Nitro-4-phenylbenzene @en
type: ChemicalCompound
notation: 4NO2DFy
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C12H9NO2
cas number: 28984-85-2
broader: CHEMONTID_0000041
inchikey: BAJQRLZAPXASRD-UHFFFAOYSA-N

fuberidazool
iupac name: 2-furan-2-yl-1H-benzimidazole @en
smiles: C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3
broader: CHEMONTID_0000294
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 3878-19-1
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)
pubchem: 19756
formula: C11H8N2O
type: ChemicalCompound
type: Concept
notation: fubrdzl
inchikey: UYJUZNLFJAWNEZ-UHFFFAOYSA-N

ertapenem
inchikey: JUZNIMUFDBIJCM-ANEDZVCMSA-N
type: ChemicalSubstance
pubchem: 150610
type: Concept
cas number: 153832-46-3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: ertpnm
broader: CHEMONTID_0002362
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
formula: C22H25N3O7S

aluminium
cas number: 91728-14-2
cas number: 7429-90-5
in scheme: Conceptschema Chemische Stoffen
cas number: 80341-19-1
cas number: 113962-66-6
broader: CHEMONTID_0000427
formula: Al
iupac name: ALUMINUM @en
type: ChemicalCompound
smiles: [Al]
pubchem: 5359268
type: ChemicalSubstance
notation: Al
inchi: InChI=1S/Al
inchikey: XAGFODPZIPBFFR-UHFFFAOYSA-N
cas number: 12766-45-9
cas number: 37202-64-5
type: Concept
cas number: 39332-62-2
cas number: 182260-45-3
cas number: 39302-71-1

2,3,3',4-tetrachloorbifenyl
type: Concept
type: ChemicalSubstance
cas number: 74338-24-2
broader: CHEMONTID_0003030
formula: C12H6Cl4
notation: PCB55
inchikey: ZKGSEEWIVLAUNH-UHFFFAOYSA-N
inchi: InChI=1S/C12H6Cl4/c13-8-3-1-2-7(6-8)9-4-5-10(14)12(16)11(9)15/h1-6H
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 1,2,3-trichloro-4-(3-chlorophenyl)benzene @en
pubchem: 63102

streptomycine
type: Concept
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
type: ChemicalCompound
cas number: 57-92-1
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
formula: C21H39N7O12
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0001675
notation: streptmcne
inchikey: UCSJYZPVAKXKNQ-HZYVHMACSA-N

iso-butylbenzeen
cas number: 538-93-2
iupac name: 2-methylpropylbenzene @en
type: ChemicalCompound
inchikey: KXUHSQYYJYAXGZ-UHFFFAOYSA-N
broader: CHEMONTID_0002811
smiles: CC(C)CC1=CC=CC=C1
inchi: InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C10H14
cas number: 28729-54-6
type: ChemicalSubstance
pubchem: 10870
notation: iC4yBen

ethylbutylactetylaminopropionaat
iupac name: ethyl 3-(acetyl-butylamino)propanoate @en
pubchem: 104150
in scheme: Conceptschema Chemische Stoffen
cas number: 52304-36-6
type: Concept
type: ChemicalCompound
notation: EBAAP
cas number: 362607-57-6
formula: C11H21NO3
broader: CHEMONTID_0001664
inchikey: VZRKEAFHFMSHCD-UHFFFAOYSA-N
smiles: CCCCN(CCC(=O)OCC)C(=O)C
type: ChemicalSubstance
inchi: InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3

dimethachloor
type: Concept
broader: CHEMONTID_0000285
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CCl
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
cas number: 55353-08-7
formula: C13H18ClNO2
inchikey: SCCDDNKJYDZXMM-UHFFFAOYSA-N
cas number: 50563-36-5
notation: DmtCl
type: ChemicalSubstance

terbium 160
inchikey: GZCRRIHWUXGPOV-OUBTZVSYSA-N
iupac name: terbium-160 @en
type: ChemicalCompound
pubchem: 161008
type: Concept
formula: Tb
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchi: InChI=1S/Tb/i1+1
cas number: 13981-29-8
smiles: [Tb]
notation: Tb160
broader: CHEMONTID_0000429

yttrium 91
in scheme: Conceptschema Chemische Stoffen
iupac name: yttrium-91 @en
type: Concept
broader: CHEMONTID_0000426
inchikey: VWQVUPCCIRVNHF-NJFSPNSNSA-N
formula: Y
pubchem: 104964
type: ChemicalSubstance
smiles: [Y]
type: ChemicalCompound
inchi: InChI=1S/Y/i1+2
notation: Y91
cas number: 14234-24-3

1,7-naftyridine
inchi: InChI=1S/C8H6N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-6H
inchikey: MXBVNILGVJVVMH-UHFFFAOYSA-N
smiles: C1=CC2=C(C=NC=C2)N=C1
broader: CHEMONTID_0001857
type: ChemicalSubstance
cas number: 253-69-0
formula: C8H6N2
notation: 17naftrdne
pubchem: 9209
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 1,7-NAPHTHYRIDINE @en
type: ChemicalCompound

perfluor-n-pentadecaanzuur
type: Concept
inchikey: BJNCSIWIMCWIMS-UHFFFAOYSA-N
type: ChemicalSubstance
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)
notation: PFPeDA
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
formula: C15HF29O2
type: ChemicalCompound
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
cas number: 141074-63-7

sulfaclozine
iupac name: 4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide @en
cas number: 27890-59-1
type: Concept
formula: C10H9ClN4O2S
pubchem: 66890
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001925
smiles: C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl
inchikey: QKLPUVXBJHRFQZ-UHFFFAOYSA-N
cas number: 102-65-8
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)
in scheme: Conceptschema Chemische Stoffen

isosorbide
pubchem: 12597
cas number: 152881-21-5
cas number: 151380-60-8
broader: CHEMONTID_0001987
notation: issbde
type: Concept
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
cas number: 652-67-5
inchikey: KLDXJTOLSGUMSJ-JGWLITMVSA-N
cas number: 50974-60-2
smiles: C1C(C2C(O1)C(CO2)O)O
type: ChemicalSubstance
cas number: 42750-75-4
iupac name: (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 49871-92-3

perfluoroctaanzuur
notation: PFOA
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid @en
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)
cas number: 65618-66-8
type: Concept
inchikey: SNGREZUHAYWORS-UHFFFAOYSA-N
formula: C8HF15O2
alternative label: perfluoroctaanzuur (pfoa)
cas number: 335-67-1
type: ChemicalCompound
cas number: 33496-48-9
type: ChemicalSubstance
broader: CHEMONTID_0003962
pubchem: 9554
alternative label: perfluor-n-octaanzuur

swep
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004714
type: ChemicalCompound
cas number: 1918-18-9
notation: swep
smiles: COC(=O)NC1=CC(=C(C=C1)Cl)Cl
iupac name: Methyl N-(3,4-dichlorophenyl)carbamate @en
inchi: InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)
pubchem: 15969
type: ChemicalSubstance
type: Concept
inchikey: WOZQBERUBLYCEG-UHFFFAOYSA-N
formula: C8H7Cl2NO2

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

buturon
pubchem: 19587
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001935
inchikey: BYYMILHAKOURNM-UHFFFAOYSA-N
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
formula: C12H13ClN2O
notation: butrn
cas number: 3766-60-7
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl
type: ChemicalCompound

dinoseb-acetaat
iupac name: (2-butan-2-yl-4,6-dinitrophenyl) acetate @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C
inchikey: RDJTWDKSYLLHRW-UHFFFAOYSA-N
pubchem: 17776
notation: Dnsactt
type: ChemicalCompound
cas number: 2813-95-8
broader: CHEMONTID_0002319
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
formula: C12H14N2O6
type: Concept

francium
iupac name: FRANCIUM @en
type: ChemicalSubstance
inchi: InChI=1S/Fr
formula: Fr
cas number: 7440-73-5
inchikey: KLMCZVJOEAUDNE-UHFFFAOYSA-N
type: Concept
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: Fr
smiles: [Fr]
pubchem: 6328145

iso-propylflamprop
iupac name: propan-2-yl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate @en
pubchem: 40520
formula: C19H19ClFNO3
broader: CHEMONTID_0004713
inchikey: IKVXBIIHQGXQRQ-UHFFFAOYSA-N
cas number: 52756-22-6
type: ChemicalCompound
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: iC3yfpp
type: Concept

4,4'-methyleenbis(n,n-dimethylaniline)
cas number: 30135-64-9
inchikey: JNRLEMMIVRBKJE-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 4-[(4-dimethylaminophenyl)methyl]-N,N-dimethylaniline @en
in scheme: Conceptschema Chemische Stoffen
notation: 44C1yebNNDC1
formula: C17H22N2
cas number: 101-61-1
smiles: CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
type: Concept
alternative label: 4,4'-methyleenbis(N,N-dimethylaniline)
pubchem: 7567
broader: CHEMONTID_0000369
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

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

2,4-bis(1-fenylethyl)fenol
cas number: 2769-94-0
iupac name: 2,4-Bis(1-phenylethyl)phenol @en
pubchem: 102877
formula: C22H22O
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: 24bis1FyC2yF
inchikey: RCFAHSGZAAFQJH-UHFFFAOYSA-N
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
type: ChemicalCompound
broader: CHEMONTID_0002651
cas number: 25640-70-4
type: ChemicalSubstance

pirlimycine
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002309
formula: C17H31ClN2O5S
type: Concept
type: ChemicalCompound
inchikey: HBJOXQRURQPDEX-MHXMMLMNSA-N
pubchem: 157385
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
cas number: 79548-73-5

fenofibrinezuur
pubchem: 64929
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: MQOBSOSZFYZQOK-UHFFFAOYSA-N
cas number: 42017-89-0
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)
type: ChemicalCompound
broader: CHEMONTID_0000120
iupac name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid @en
notation: fenfbnzr
formula: C17H15ClO4
type: ChemicalSubstance

3,3'-dichloorbenzidine sulfaat
pubchem: 62235
type: Concept
formula: C12H14Cl2N2O8S2
inchikey: PMZNABNRKYMIKT-UHFFFAOYSA-N
cas number: 64969-34-2
broader: CHEMONTID_0003956
in scheme: Conceptschema Chemische Stoffen
notation: 33DClbzdnSO4
type: ChemicalCompound
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.OS(=O)(=O)O.OS(=O)(=O)O
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)
type: ChemicalSubstance
iupac name: 4-(4-amino-3-chlorophenyl)-2-chloroaniline; sulfuric acid @en

stikstofmonoxide
broader: CHEMONTID_0000554
cas number: 14332-28-6
alternative label: stikstofmonoxide (NO)
pubchem: 945
inchi: InChI=1S/HNO/c1-2/h1H
inchikey: ODUCDPQEXGNKDN-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 90880-94-7
cas number: 51005-20-0
cas number: 51005-21-1
notation: NO
cas number: 53851-19-7
type: ChemicalCompound
cas number: 10102-43-9
is referenced by: LUC II 001
iupac name: nitroxyl @en
smiles: N=O
type: Concept
comment: VLAR II bijl. 2.5.3 'NO'
formula: HNO
in scheme: Conceptschema Chemische Stoffen
cas number: 90452-29-2
comment: VLAR II bijl. 4.4.2

2,3-butadion
pubchem: 650
cas number: 625-34-3
cas number: 431-03-8
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: QSJXEFYPDANLFS-UHFFFAOYSA-N
formula: C4H6O2
notation: 23C4aDon
broader: CHEMONTID_0001223
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
iupac name: Butane-2,3-dione @en
cas number: 151677-70-2
smiles: CC(=O)C(=O)C

tetramethrin
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
cas number: 52556-74-8
type: ChemicalCompound
cas number: 7696-12-0
cas number: 5284-41-3
notation: T4mtn
inchikey: CXBMCYHAMVGWJQ-CABCVRRESA-N
type: ChemicalSubstance
formula: C19H25NO4
type: Concept
pubchem: 24365
cas number: 28643-67-6
cas number: 1166-46-7
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
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001820

furalaxyl
type: ChemicalCompound
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
cas number: 57646-30-7
formula: C17H19NO4
type: Concept
cas number: 66063-54-5
inchikey: CIEXPHRYOLIQQD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004756
iupac name: methyl 2-[(2,6-dimethylphenyl)-(furan-2-carbonyl)amino]propanoate @en
pubchem: 42504
notation: furlxl
type: ChemicalSubstance

1-amino-2-methylanthraquinon
cas number: 82-28-0
notation: 1Ao2C1yatqnn
pubchem: 6702
formula: C15H11NO2
broader: CHEMONTID_0000151
smiles: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-amino-2-methylanthracene-9,10-dione @en
inchikey: ZLCUIOWQYBYEBG-UHFFFAOYSA-N
type: ChemicalCompound
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
type: Concept

dipicrylamine
inchikey: CBCIHIVRDWLAME-UHFFFAOYSA-N
broader: CHEMONTID_0000036
formula: C12H5N7O12
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-]
cas number: 131-73-7
notation: DpicAe
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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

1,4-dimethylnaftaleen
type: ChemicalSubstance
formula: C12H12
notation: 14DC1yNaf
smiles: CC1=CC=C(C2=CC=CC=C12)C
inchi: InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3
pubchem: 11304
type: Concept
iupac name: 1,4-Dimethylnaphthalene @en
in scheme: Conceptschema Chemische Stoffen
inchikey: APQSQLNWAIULLK-UHFFFAOYSA-N
cas number: 571-58-4
broader: CHEMONTID_0000023
type: ChemicalCompound

8:2 fluortelomeerfosfaat monoester
type: ChemicalCompound
broader: CHEMONTID_0003458
type: Concept
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)
in scheme: Conceptschema Chemische Stoffen
notation: 8:2 PAP
pubchem: 10143739
type: ChemicalSubstance
inchikey: MIABSAQIFYEDJP-UHFFFAOYSA-N
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl dihydrogen phosphate @en
cas number: 57678-03-2

2-(2-(2-methoxyethoxy)ethoxy)ethanol
inchikey: JLGLQAWTXXGVEM-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003338
cas number: 112-35-6
iupac name: 2-[2-(2-Methoxyethoxy)ethoxy]ethanol @en
inchi: InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
pubchem: 8178
in scheme: Conceptschema Chemische Stoffen
formula: C7H16O4
type: ChemicalSubstance
notation: 222C1oxC2oxC
smiles: COCCOCCOCCO

ziram
type: ChemicalSubstance
cas number: 14459-91-7
type: Concept
cas number: 137-30-4
cas number: 8059-74-3
cas number: 14460-20-9
type: ChemicalCompound
cas number: 50933-80-7
formula: C6H12N2S4Zn
cas number: 12773-04-5
cas number: 98391-07-2
cas number: 55870-88-7
smiles: CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]
pubchem: 8722
cas number: 12768-61-5
broader: CHEMONTID_0003997
notation: zirm
iupac name: zinc dimethylaminomethanedithioate @en
cas number: 111922-61-3
in scheme: Conceptschema Chemische Stoffen
cas number: 31300-71-7
inchi: InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
cas number: 8070-07-3
cas number: 19488-81-4
cas number: 17125-91-6
inchikey: DUBNHZYBDBBJHD-UHFFFAOYSA-L

Chemische stoffen die in lucht gemeten worden.
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: cyclohexanon
member: 2,3,7,8-tetrachloordibenzofuraan
member: fenantreen
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
member: n-pentaan

1,2-dichloorbenzeen
smiles: C1=CC=C(C(=C1)Cl)Cl
cas number: 95-50-1
cas number: 25321-22-6
type: Concept
broader: CHEMONTID_0002564
cas number: 24634-92-2
type: ChemicalSubstance
iupac name: 1,2-Dichlorobenzene @en
inchi: InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
in scheme: Conceptschema Chemische Stoffen
notation: 12DClBen
type: ChemicalCompound
pubchem: 7239
inchikey: RFFLAFLAYFXFSW-UHFFFAOYSA-N
is referenced by: LUC IV 011
comment: VLAREM II bijlage 4.4.2
formula: C6H4Cl2

foxim
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002279
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+
cas number: 14816-18-3
type: ChemicalCompound
iupac name: N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide @en
notation: fOxm
inchikey: ATROHALUCMTWTB-WYMLVPIESA-N
pubchem: 9570290
in scheme: Conceptschema Chemische Stoffen
smiles: CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1
formula: C12H15N2O3PS

fenazon (antipyrine)
alternative label: fenazon
inchikey: VEQOALNAAJBPNY-UHFFFAOYSA-N
broader: CHEMONTID_0002019
pubchem: 2206
cas number: 60-80-0
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
smiles: CC1=CC(=O)N(N1C)C2=CC=CC=C2
type: ChemicalCompound
notation: fenzn
iupac name: 1,5-dimethyl-2-phenylpyrazol-3-one @en
type: Concept
cas number: 5779-41-9
cas number: 123175-91-7

2-ethylhexylnitraat
in scheme: Conceptschema Chemische Stoffen
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
smiles: CCCCC(CC)CO[N+](=O)[O-]
type: ChemicalSubstance
type: ChemicalCompound
inchikey: NKRVGWFEFKCZAP-UHFFFAOYSA-N
formula: C8H17NO3
pubchem: 62823
notation: 2C2yC6yNO3
cas number: 27247-96-7
type: Concept
broader: CHEMONTID_0004091

sebuthylazine
cas number: 109829-45-0
inchikey: BZRUVKZGXNSXMB-UHFFFAOYSA-N
formula: C9H16ClN5
in scheme: Conceptschema Chemische Stoffen
iupac name: N-butan-2-yl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine @en
notation: seC4yazne
smiles: CCC(C)NC1=NC(=NC(=N1)NCC)Cl
type: Concept
pubchem: 23712
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7286-69-3
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)
broader: CHEMONTID_0004734
alternative label: sebutylazine

prothiocarb
type: ChemicalCompound
inchikey: NMFAMPYSJHIYMR-UHFFFAOYSA-N
pubchem: 29696
iupac name: 3-(ethylsulfanylcarbonylamino)propyl-dimethylazanium chloride @en
broader: CHEMONTID_0001368
notation: protocHCl
in scheme: Conceptschema Chemische Stoffen
cas number: 19622-08-3
notation: protocb
formula: C8H19ClN2OS
cas number: 19622-19-6
alternative label: prothiocarb hydrochloride
smiles: CCSC(=O)NCCC[NH+](C)C.[Cl-]
type: Concept
type: ChemicalSubstance
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

mebeverine hydrochloride
notation: mebvrnHCL
broader: CHEMONTID_0002346
inchikey: PLGQWYOULXPJRE-UHFFFAOYSA-N
cas number: 2753-45-9
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
type: Concept
in scheme: Conceptschema Chemische Stoffen
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
formula: C25H36ClNO5
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3625-06-7
pubchem: 17683

atraton
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
iupac name: N'-ethyl-6-methoxy-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
formula: C9H17N5O
type: Concept
type: ChemicalSubstance
pubchem: 15359
type: ChemicalCompound
inchikey: PXWUKZGIHQRDHL-UHFFFAOYSA-N
cas number: 1610-17-9
notation: attn
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)
smiles: CCNC1=NC(=NC(=N1)OC)NC(C)C

diethatylethyl
type: ChemicalCompound
inchikey: WFKSADNZWSKCRZ-UHFFFAOYSA-N
iupac name: ethyl 2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetate @en
type: Concept
notation: DettC2y
cas number: 38727-55-8
broader: CHEMONTID_0000394
in scheme: Conceptschema Chemische Stoffen
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
cas number: 51142-20-2
pubchem: 38090
type: ChemicalSubstance
smiles: CCC1=C(C(=CC=C1)CC)N(CC(=O)OCC)C(=O)CCl
formula: C16H22ClNO3
cas number: 52002-01-4
cas number: 62180-86-3

2,2'-dimethyl-2,2'-azodipropiononitril
cas number: 39322-24-2
cas number: 76012-28-7
inchikey: OZAIFHULBGXAKX-UHFFFAOYSA-N
pubchem: 6547
iupac name: 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile @en
formula: C8H12N4
cas number: 80748-81-8
cas number: 78-67-1
cas number: 58449-80-2
notation: 22DC1y22aDpp
broader: CHEMONTID_0000410
type: ChemicalCompound
cas number: 67035-64-7
type: Concept
inchi: InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3
cas number: 95210-41-6
in scheme: Conceptschema Chemische Stoffen
cas number: 34241-39-9
smiles: CC(C)(C#N)N=NC(C)(C)C#N
type: ChemicalSubstance

terbufos-sulfoxide
notation: terbfSO
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C9H21O3PS3/c1-6-11-13(14,12-7-2)15-8-16(10)9(3,4)5/h6-8H2,1-5H3
formula: C9H21O3PS3
inchikey: KKOYBOFPUBHPFO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: tert-butylsulfinylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
smiles: CCOP(=S)(OCC)SCS(=O)C(C)(C)C
broader: CHEMONTID_0004164
type: ChemicalCompound
cas number: 10548-10-4
pubchem: 25355

4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-on
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C(CCC1)(C)C)C=CC(=O)C
type: ChemicalCompound
inchikey: PSQYTAPXSHCGMF-BQYQJAHWSA-N
formula: C13H20O
cas number: 14901-07-6
notation: 4266TC1y1ccC
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
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+
broader: CHEMONTID_0001550
pubchem: 638014
type: Concept
type: ChemicalSubstance
cas number: 79-77-6
cas number: 35031-06-2

spiramycine III
broader: CHEMONTID_0000282
cas number: 1405-27-2
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
formula: C46H78N2O15
type: ChemicalCompound
cas number: 24916-52-7
cas number: 33299-71-7
notation: spirmcIII
cas number: 11001-07-3
pubchem: 6440708
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
cas number: 13429-99-7
cas number: 13441-33-3
in scheme: Conceptschema Chemische Stoffen
cas number: 1403-59-4
type: Concept
cas number: 13445-44-8
type: ChemicalSubstance
inchikey: HSZLKTCKAYXVBX-DCAGQSADSA-N
cas number: 23410-82-4
cas number: 203005-19-0
alternative label: spiramycine iii

amantadine
smiles: C1C2CC3CC1CC(C2)(C3)N
cas number: 768-94-5
iupac name: adamantan-1-amine @en
broader: CHEMONTID_0000469
inchikey: DKNWSYNQZKUICI-UHFFFAOYSA-N
formula: C10H17N
type: Concept
notation: amtdne
pubchem: 2130
inchi: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

tributylfosfaat
alternative label: tri-n-butylfosfaat
iupac name: ['tributoxy-hydroxyphosphanium', 'Tributyl phosphate'] @en
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
formula: C12H27O4P
notation: TC4yPO4
cas number: 126-73-8
smiles: CCCCOP(=O)(OCCCC)OCCCC
cas number: 19824-61-4
pubchem: 31357
cas number: 80094-39-9
type: ChemicalCompound
type: ChemicalSubstance
inchikey: STCOOQWBFONSKY-UHFFFAOYSA-N
type: Concept
cas number: 15158-85-7
broader: CHEMONTID_0003460
in scheme: Conceptschema Chemische Stoffen

didesethylflurazepam
type: ChemicalSubstance
iupac name: 1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one @en
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
in scheme: Conceptschema Chemische Stoffen
formula: C17H15ClFN3O
pubchem: 28647
type: ChemicalCompound
broader: CHEMONTID_0004097
inchikey: MVAUDJDXZPBWOW-UHFFFAOYSA-N
cas number: 17617-59-3
type: Concept
notation: DdC2yfrzpm

3-chlooraniline
type: ChemicalSubstance
type: ChemicalCompound
formula: C6H6ClN
iupac name: 3-Chloroaniline @en
pubchem: 7932
notation: 3ClAn
inchikey: PNPCRKVUWYDDST-UHFFFAOYSA-N
broader: CHEMONTID_0000284
type: Concept
inchi: InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
alternative label: m-chlooraniline
cas number: 108-42-9
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC(=C1)Cl)N

plifenaat
in scheme: Conceptschema Chemische Stoffen
formula: C10H7Cl5O2
type: ChemicalSubstance
iupac name: [2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate @en
notation: plifnt
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
type: Concept
broader: CHEMONTID_0001097
inchikey: FSGNOVKGEXRRHD-UHFFFAOYSA-N
pubchem: 89040
type: ChemicalCompound
cas number: 21757-82-4

perfluor-3,5,7-trioxaoctaanzuur
cas number: 39492-89-2
type: ChemicalSubstance
broader: CHEMONTID_0003000
iupac name: 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-2,2-difluoroacetic acid @en
inchikey: SJKDXZGLKADOQD-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 87185480
notation: PFO3OA
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)
formula: C5HF9O5

fenuron
cas number: 101-42-8
iupac name: 1,1-Dimethyl-3-phenylurea @en
pubchem: 7560
type: ChemicalSubstance
formula: C9H12N2O
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279
inchi: InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
smiles: CN(C)C(=O)NC1=CC=CC=C1
inchikey: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
type: ChemicalCompound
notation: fenrn
type: Concept

dibroomazijnzuur
type: ChemicalCompound
notation: DBrHAc
pubchem: 12433
iupac name: 2,2-dibromoacetic acid @en
cas number: 631-64-1
type: Concept
inchi: InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
in scheme: Conceptschema Chemische Stoffen
inchikey: SIEILFNCEFEENQ-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0003000
smiles: C(C(=O)O)(Br)Br
formula: C2H2Br2O2

cis-5-butyldihydro-4-methyl-2(3H)furanon
notation: c5C4yH4C1y23
inchikey: WNVCMFHPRIBNCW-HTQZYQBOSA-N
smiles: CCCCC1C(CC(=O)O1)C
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
alternative label: cis-5-butyldihydro-4-methyl-2(3h)furanon
pubchem: 41285
iupac name: (4R,5R)-5-butyl-4-methyloxolan-2-one @en
cas number: 55013-32-6
type: ChemicalSubstance
broader: CHEMONTID_0001245
formula: C9H16O2
type: Concept

hexachloor-biclyclo(2,2,1)-2,5-heptadieen
cas number: 28680-44-6
notation: HxClbcc22125
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002863
pubchem: 3036943
type: ChemicalCompound
inchi: InChI=1S/C7H2Cl6/c8-2-3(9)7(13)1-6(2,12)4(10)5(7)11/h1H2
smiles: C1C2(C(=C(C1(C(=C2Cl)Cl)Cl)Cl)Cl)Cl
iupac name: 1,2,3,4,5,6-hexachlorobicyclo[2.2.1]hepta-2,5-diene @en
type: Concept
formula: C7H2Cl6
inchikey: ZKRSTHSWOFIHMZ-UHFFFAOYSA-N

methotrexaat
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: mettxt
iupac name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid @en
formula: C20H22N8O5
inchikey: FBOZXECLQNJBKD-ZDUSSCGKSA-N
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
type: ChemicalCompound
broader: CHEMONTID_0004323
cas number: 59-05-2
pubchem: 126941

cefadroxil
inchikey: BOEGTKLJZSQCCD-UEKVPHQBSA-N
type: Concept
type: ChemicalCompound
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
notation: cefdxl
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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
broader: CHEMONTID_0000173
cas number: 50370-12-2

nobelium
cas number: 10028-14-5
inchikey: ORQBXQOJMQIAOY-UHFFFAOYSA-N
inchi: InChI=1S/No
formula: No
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000430
type: ChemicalCompound
pubchem: 24822
type: ChemicalSubstance
notation: No
iupac name: NOBELIUM @en
smiles: [No]

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

toxafeen
type: ChemicalCompound
iupac name: 1,2,3,4,7,7-hexachloro-6,6-bis(chloromethyl)-5-methylidenebicyclo[2.2.1]heptane @en
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
in scheme: Conceptschema Chemische Stoffen
cas number: 8001-35-2
broader: CHEMONTID_0001564
pubchem: 5284469
notation: toxafn
type: Concept
inchikey: OEJNXTAZZBRGDN-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C10H8Cl8

nitrobenzeen
cas number: 98-95-3
inchikey: LQNUZADURLCDLV-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)[N+](=O)[O-]
type: ChemicalCompound
inchi: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
in scheme: Conceptschema Chemische Stoffen
iupac name: ['Nitrobenzene', 'N-oxido-N-phenylhydroxylamine', 'N,N-dihydroxyaniline'] @en
notation: NO2Ben
cas number: 26969-40-4
broader: CHEMONTID_0000036
type: ChemicalSubstance
pubchem: 7416
formula: C6H5NO2
type: Concept

thorium 227
inchikey: ZSLUVFAKFWKJRC-FTXFMUIASA-N
smiles: [Th]
type: Concept
pubchem: 61806
broader: CHEMONTID_0000430
type: ChemicalSubstance
type: ChemicalCompound
iupac name: thorium-227 @en
inchi: InChI=1S/Th/i1-5
in scheme: Conceptschema Chemische Stoffen
notation: Th227
cas number: 15623-47-9
formula: Th

cyclopentadecaan
cas number: 295-48-7
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
type: ChemicalSubstance
notation: cycC15a
inchikey: SRONXYPFSAKOGH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: C1CCCCCCCCCCCCCC1
type: Concept
formula: C15H30
pubchem: 67525
broader: CHEMONTID_0001016

polyethyleenglycol
cas number: 37221-95-7
inchikey: LYCAIKOWRPUZTN-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 37225-26-6
type: ChemicalSubstance
cas number: 25322-68-3
cas number: 2219-51-4
notation: glycl
cas number: 71767-64-1
alternative label: ethyleenglycol
alternative label: glycol (monoethyleenglycol)
pubchem: 174
smiles: C(CO)O
comment: VLAREM II bijlage 4.4.2
inchi: InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: Ethane-1,2-diol @en
broader: CHEMONTID_0002467
formula: C2H6O2
cas number: 107-21-1

fluorbenzeen
pubchem: 10008
broader: CHEMONTID_0001100
notation: C6H5F
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 462-06-6
inchikey: PYLWMHQQBFSUBP-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: Fluorobenzene @en
inchi: InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
type: ChemicalCompound
smiles: C1=CC=C(C=C1)F
formula: C6H5F

1,2,3,4-tetrahydronaftaleen
cas number: 68412-24-8
notation: 1234T4HNaf
pubchem: 8404
inchi: InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
inchikey: CXWXQJXEFPUFDZ-UHFFFAOYSA-N
iupac name: 1,2,3,4-Tetrahydronaphthalene @en
type: ChemicalSubstance
smiles: C1CCC2=CC=CC=C2C1
type: ChemicalCompound
broader: CHEMONTID_0000048
formula: C10H12
type: Concept
cas number: 119-64-2
in scheme: Conceptschema Chemische Stoffen

microcystine-lr
type: ChemicalSubstance
type: ChemicalCompound
formula: C49H74N10O12
pubchem: 445434
notation: MC-LR
alternative label: microcystine-LR
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: ZYZCGGRZINLQBL-GWRQVWKTSA-N
cas number: 101043-37-2
broader: CHEMONTID_0002010
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

1-methoxypropylacetaat
iupac name: 1-methoxypropyl acetate @en
inchi: InChI=1S/C6H12O3/c1-4-6(8-3)9-5(2)7/h6H,4H2,1-3H3
smiles: CCC(OC)OC(=O)C
type: ChemicalSubstance
broader: CHEMONTID_0001238
type: ChemicalCompound
inchikey: ZAXXZBQODQDCOW-UHFFFAOYSA-N
pubchem: 3033863
formula: C6H12O3
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: C1oxC3yactt
cas number: 84540-57-8

pentaethyleenhexamine
smiles: C(CNCCNCCNCCNCCN)N
type: ChemicalSubstance
type: ChemicalCompound
formula: C10H28N6
type: Concept
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
notation: PeC2yHxAe
inchikey: LSHROXHEILXKHM-UHFFFAOYSA-N
pubchem: 19990
cas number: 778592-37-3
broader: CHEMONTID_0002228
in scheme: Conceptschema Chemische Stoffen
cas number: 4067-16-7

cortison
broader: CHEMONTID_0003095
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 53-06-5
pubchem: 222786
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
notation: cortsn
inchikey: MFYSYFVPBJMHGN-ZPOLXVRWSA-N
type: ChemicalSubstance
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

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

1-chloor-2,3-epoxypropaan (epichloorhydrine)
cas number: 56227-39-5
type: Concept
cas number: 106-89-8
alternative label: 1-chloor-2,3-epoxypropaan(epichloorhydrine)
smiles: C1C(O1)CCl
pubchem: 7835
cas number: 9009-12-5
cas number: 13403-37-7
notation: epClhdne
in scheme: Conceptschema Chemische Stoffen
cas number: 6806-86-6
broader: CHEMONTID_0000159
formula: C3H5ClO
comment: VLAREM II bijlage 4.4.2
cas number: 36250-81-4
alternative label: epichloorhydrine
iupac name: 2-(Chloromethyl)oxirane @en
inchi: InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
type: ChemicalSubstance
cas number: 109351-74-8
type: ChemicalCompound
inchikey: BRLQWZUYTZBJKN-UHFFFAOYSA-N

3,5-dichloorfenol
type: ChemicalSubstance
smiles: C1=C(C=C(C=C1Cl)Cl)O
inchikey: VPOMSPZBQMDLTM-UHFFFAOYSA-N
formula: C6H4Cl2O
iupac name: 3,5-Dichlorophenol @en
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
notation: 35DClFol
cas number: 591-35-5
pubchem: 11571
inchi: InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

perfluor-n-heptaanzuur (pfhpa)
notation: PFHpA
pubchem: 80210
alternative label: perfluor-n-heptaanzuur
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
cas number: 80856-39-9
cas number: 375-85-9
type: Concept
alternative label: perfluorheptaanzuur
iupac name: azane; 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid @en
cas number: 6130-43-4
broader: CHEMONTID_0003962
type: ChemicalCompound
inchikey: JVZREVRTMWNFME-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C7H4F13NO2
alternative label: perfluorheptaanzuur (pfhpa)
type: ChemicalSubstance

esprocarb
notation: espcb
type: ChemicalCompound
broader: CHEMONTID_0002279
iupac name: S-(phenylmethyl) (ethyl-(3-methylbutan-2-yl)amino)methanethioate @en
pubchem: 91740
type: Concept
inchikey: BXEHUCNTIZGSOJ-UHFFFAOYSA-N
smiles: CCN(C(C)C(C)C)C(=O)SCC1=CC=CC=C1
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
cas number: 85785-20-2
formula: C15H23NOS
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

zwavel
type: ChemicalSubstance
inchikey: NINIDFKCEFEMDL-UHFFFAOYSA-N
inchi: InChI=1S/S
in scheme: Conceptschema Chemische Stoffen
formula: S
cas number: 7704-34-9
type: ChemicalCompound
pubchem: 5362487
type: Concept
iupac name: sulfur @en
smiles: CC(C)NC1=NC(=NC(=N1)SC)NC(C)C
notation: S
broader: CHEMONTID:0000555

fenthion-oxon-sulfon
in scheme: Conceptschema Chemische Stoffen
formula: C10H15O6PS
notation: fentoOosfn
type: Concept
cas number: 14086-35-2
smiles: CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C
inchikey: VUTHWSUXEOILTN-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
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
broader: CHEMONTID_0004233
pubchem: 26449

2-ethyltolueen
notation: 2C2yTol
inchi: InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
smiles: CCC1=CC=CC=C1C
cas number: 611-14-3
in scheme: Conceptschema Chemische Stoffen
cas number: 25550-14-5
alternative label: ethyltolueen
broader: CHEMONTID_0001091
formula: C9H12
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
iupac name: 1-Ethyl-2-methylbenzene @en
inchikey: HYFLWBNQFMXCPA-UHFFFAOYSA-N
pubchem: 11903
notation: C2yTol
cas number: 25154-47-6

propanil
inchikey: LFULEKSKNZEWOE-UHFFFAOYSA-N
smiles: CCC(=O)NC1=CC(=C(C=C1)Cl)Cl
cas number: 709-98-8
type: ChemicalSubstance
type: Concept
formula: C9H9Cl2NO
broader: CHEMONTID_0000285
type: ChemicalCompound
notation: propnl
cas number: 11096-32-5
pubchem: 4933
in scheme: Conceptschema Chemische Stoffen
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
cas number: 110343-36-7

ethylamylketon
in scheme: Conceptschema Chemische Stoffen
formula: C8H16O
smiles: CCCCCC(=O)CC
inchikey: RHLVCLIPMVJYKS-UHFFFAOYSA-N
broader: CHEMONTID_0000118
iupac name: Octan-3-one @en
type: ChemicalSubstance
inchi: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
cas number: 106-68-3
pubchem: 246728
type: Concept
notation: C2yamktn
type: ChemicalCompound

quizalofop
cas number: 76578-12-6
in scheme: Conceptschema Chemische Stoffen
inchikey: ABOOPXYCKNFDNJ-UHFFFAOYSA-N
notation: quizlfp
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)
type: ChemicalCompound
pubchem: 178795
formula: C17H13ClN2O4
cas number: 95977-28-9
type: Concept
broader: CHEMONTID_0004674
type: ChemicalSubstance
iupac name: 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid @en

butralin
type: ChemicalCompound
cas number: 33629-47-9
type: ChemicalSubstance
smiles: CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]
broader: CHEMONTID_0003968
notation: butln
formula: C14H21N3O4
pubchem: 36565
in scheme: Conceptschema Chemische Stoffen
cas number: 12676-07-2
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
type: Concept
inchikey: SPNQRCTZKIBOAX-UHFFFAOYSA-N
iupac name: N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline @en

methylisocyanaat
type: ChemicalCompound
iupac name: methylimino-oxomethane @en
type: Concept
formula: C2H3NO
cas number: 30108-95-3
cas number: 624-83-9
notation: C1yicnt
in scheme: Conceptschema Chemische Stoffen
inchikey: HAMGRBXTJNITHG-UHFFFAOYSA-N
inchi: InChI=1S/C2H3NO/c1-3-2-4/h1H3
type: ChemicalSubstance
broader: CHEMONTID_0000501
pubchem: 12228
smiles: CN=C=O

dibenzo(a,i)pyreen
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
formula: C24H14
inchikey: JNTHRSHGARDABO-UHFFFAOYSA-N
broader: CHEMONTID_0000316
pubchem: 9119
cas number: 191-30-0
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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
type: ChemicalCompound
notation: DBaiP

butoxypolypropyleenglycol
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 59029-72-0
pubchem: 24752
type: ChemicalCompound
cas number: 12612-71-4
cas number: 220522-64-5
iupac name: 1-(1-butoxypropan-2-yloxy)propan-2-ol @en
cas number: 29911-28-2
inchikey: CUVLMZNMSPJDON-UHFFFAOYSA-N
cas number: 158884-53-8
cas number: 39364-15-3
cas number: 9003-13-8
cas number: 71714-72-2
formula: C10H22O3
cas number: 83931-37-7
notation: C4OxplC3yegc
cas number: 36563-43-6
broader: CHEMONTID_0001661
cas number: 30941-36-7
cas number: 102646-52-6
inchi: InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
cas number: 9007-07-2
cas number: 57904-07-1
cas number: 37335-69-6
cas number: 9009-42-1
smiles: CCCCOCC(C)OCC(C)O
cas number: 39364-14-2
type: Concept

1-hexanol
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 1C6Ol
pubchem: 8103
type: ChemicalSubstance
cas number: 220713-27-9
inchikey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
cas number: 111-27-3
formula: C6H14O
iupac name: HEXAN-1-OL @en
type: Concept
broader: CHEMONTID_0001334
smiles: CCCCCCO
inchi: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
cas number: 25917-35-5

2,2',3,3',4,5'-hexachloorbifenyl
formula: C12H4Cl6
notation: PCB130
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
pubchem: 40473
type: ChemicalCompound
broader: CHEMONTID_0003030
cas number: 52663-66-8
type: Concept
inchikey: YFSLABAYQDPWPF-UHFFFAOYSA-N
iupac name: 1,2,3-trichloro-4-(2,3,5-trichlorophenyl)benzene @en

prometryn
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)
cas number: 83653-07-0
type: ChemicalCompound
pubchem: 4929
formula: C10H19N5S
type: Concept
type: ChemicalSubstance
cas number: 7287-19-6
alternative label: prometryne
in scheme: Conceptschema Chemische Stoffen
inchikey: AAEVYOVXGOFMJO-UHFFFAOYSA-N
notation: promtne
iupac name: 6-methylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en
broader: CHEMONTID_0004735
smiles: CC(C)NC1=NC(=NC(=N1)SC)NC(C)C

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

dexamethason
type: ChemicalSubstance
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
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 5743
inchikey: UREBDLICKHMUKA-CXSFZGCWSA-N
broader: CHEMONTID_0003095
cas number: 137098-19-2
type: ChemicalCompound
cas number: 8054-59-9
cas number: 50-02-2
notation: dexmtsn
cas number: 23495-06-9
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
formula: C22H29FO5

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

2,6-dimethylheptaan
cas number: 1072-05-5
pubchem: 14069
broader: CHEMONTID_0004620
type: Concept
inchikey: KBPCCVWUMVGXGF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchi: InChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3
type: ChemicalSubstance
iupac name: 2,6-DIMETHYLHEPTANE @en
formula: C9H20
notation: 26DC1yC7a
smiles: CC(C)CCCC(C)C

1,6-dioxacyclododecaan-7,12-dion
type: Concept
inchikey: AXKZIDYFAMKWSA-UHFFFAOYSA-N
inchi: InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 13064
iupac name: 1,6-DIOXACYCLODODECANE-7,12-DIONE @en
cas number: 777-95-7
broader: CHEMONTID_0000147
smiles: C1CCC(=O)OCCCCOC(=O)C1
formula: C10H16O4
notation: 16DOxccC12a7
type: ChemicalSubstance

1,1,2,2-tetrachloor-1-fluorethaan
inchi: InChI=1S/C2HCl4F/c3-1(4)2(5,6)7/h1H
smiles: C(C(F)(Cl)Cl)(Cl)Cl
type: ChemicalCompound
inchikey: LUBCGHUOCJOIJA-UHFFFAOYSA-N
cas number: 354-14-3
notation: HCFK121
formula: C2HCl4F
broader: CHEMONTID_0001517
type: Concept
pubchem: 61105
iupac name: 1,1,2,2-Tetrachloro-1-fluoroethane @en
in scheme: Conceptschema Chemische Stoffen
cas number: 134237-32-4
type: ChemicalSubstance

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

isopropylmyristaat
type: ChemicalSubstance
type: ChemicalCompound
cas number: 110-27-0
broader: CHEMONTID_0000324
iupac name: propan-2-yl tetradecanoate @en
pubchem: 8042
formula: C17H34O2
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCC(=O)OC(C)C
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
cas number: 1405-98-7
notation: iC3ymrtt
inchikey: AXISYYRBXTVTFY-UHFFFAOYSA-N

o,p’-ddt
alternative label: 2,4'-dichloordifenyltrichloorethaan
iupac name: 1-chloro-4-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene @en
cas number: 58633-26-4
notation: 24DDT
broader: CHEMONTID_0000369
type: Concept
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
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 13089
formula: C14H9Cl5
inchikey: CVUGPAFCQJIYDT-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 789-02-6

tiocarbazil
type: ChemicalSubstance
smiles: CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1
type: ChemicalCompound
inchikey: PHSUVQBHRAWOQD-UHFFFAOYSA-N
pubchem: 37523
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
type: Concept
notation: tocbzl
formula: C16H25NOS
broader: CHEMONTID_0002279
iupac name: S-(phenylmethyl) (di(butan-2-yl)amino)methanethioate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 36756-79-3

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

desethylatrazine
smiles: CC(C)NC1=NC(=NC(=N1)N)Cl
cas number: 6190-65-4
inchikey: DFWFIQKMSFGDCQ-UHFFFAOYSA-N
broader: CHEMONTID_0004734
type: ChemicalCompound
pubchem: 22563
formula: C6H10ClN5
in scheme: Conceptschema Chemische Stoffen
notation: desC2yatzne
type: Concept
type: ChemicalSubstance
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

natriumchloride
iupac name: Sodium chloride @en
notation: NaCl
in scheme: Conceptschema Chemische Stoffen
cas number: 8028-77-1
cas number: 32343-72-9
cas number: 11062-32-1
cas number: 14762-51-7
broader: CHEMONTID_0000563
type: Concept
cas number: 14784-90-8
formula: ClNa
cas number: 7647-14-5
cas number: 11062-43-4
pubchem: 5234
inchikey: FAPWRFPIFSIZLT-UHFFFAOYSA-M
smiles: [Na+].[Cl-]
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/ClH.Na/h1H;/q;+1/p-1

hypochloorzuur
type: Concept
inchikey: QWPPOHNGKGFGJK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: HOCl
cas number: 26190-92-1
iupac name: HYPOCHLOROUS ACID @en
cas number: 14333-29-0
broader: CHEMONTID_0001057
inchi: InChI=1S/ClHO/c1-2/h2H
pubchem: 24341
formula: ClHO
smiles: OCl
cas number: 7790-92-3
type: ChemicalSubstance

trimethylfosfaat
inchi: InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
notation: TC1yPO4
broader: CHEMONTID_0003460
smiles: COP(=O)(OC)OC
type: ChemicalSubstance
type: ChemicalCompound
inchikey: WVLBCYQITXONBZ-UHFFFAOYSA-N
pubchem: 10541
in scheme: Conceptschema Chemische Stoffen
formula: C3H9O4P
cas number: 91316-44-8
cas number: 512-56-1
type: Concept
iupac name: ['hydroxy-trimethoxyphosphanium', 'Trimethyl phosphate'] @en

fipronil
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
notation: fipnl
inchikey: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
formula: C12H4Cl2F6N4OS
broader: CHEMONTID_0002019
cas number: 120068-37-3
type: ChemicalSubstance
type: Concept
pubchem: 3352
iupac name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile @en

n-butylmetacrylaat
cas number: 55126-77-7
cas number: 37226-35-0
in scheme: Conceptschema Chemische Stoffen
cas number: 122526-41-4
type: ChemicalSubstance
cas number: 97-88-1
cas number: 51568-49-1
cas number: 180254-70-0
cas number: 9003-63-8
cas number: 62169-30-6
cas number: 106152-15-2
iupac name: butyl 2-methylprop-2-enoate @en
inchi: InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3
cas number: 55922-77-5
cas number: 53801-42-6
type: ChemicalCompound
formula: C8H14O2
pubchem: 7354
cas number: 79331-93-4
cas number: 102135-84-2
type: Concept
notation: C4ymtclt
cas number: 159172-35-7
smiles: CCCCOC(=O)C(=C)C
alternative label: butylmethacrylaat
cas number: 9011-15-8
cas number: 66828-11-3
broader: CHEMONTID_0003626
inchikey: SOGAXMICEFXMKE-UHFFFAOYSA-N

polyacrylaat
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
smiles: C=CC(=O)[O-].[Na+]
cas number: 65852-60-0
cas number: 87912-58-1
cas number: 74434-55-2
formula: C3H3NaO2
cas number: 183599-07-7
cas number: 124740-94-9
type: ChemicalSubstance
cas number: 88895-33-4
iupac name: sodium prop-2-enoate @en
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: 100359-37-3
cas number: 95077-68-2
cas number: 105287-10-3
cas number: 9003-04-7
cas number: 170427-67-5
cas number: 114355-16-7
notation: polaclt
cas number: 76559-77-8
cas number: 56048-09-0
cas number: 9080-35-7
type: ChemicalCompound
cas number: 199453-47-9
cas number: 39283-05-1
cas number: 123140-08-9
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0004451
cas number: 75718-67-1
cas number: 126123-84-0
inchikey: NNMHYFLPFNGQFZ-UHFFFAOYSA-M
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
pubchem: 24013
cas number: 9003-01-4
cas number: 64441-46-9
cas number: 67017-21-4
cas number: 138961-78-1
inchi: InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1

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

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

indium 111
pubchem: 5462099
inchikey: APFVFJFRJDLVQX-AHCXROLUSA-N
notation: In111
iupac name: indium-111 @en
smiles: [In]
cas number: 15750-15-9
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: In
broader: CHEMONTID_0000427
type: ChemicalCompound
inchi: InChI=1S/In/i1-4

pyridine
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
inchi: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
type: ChemicalSubstance
type: Concept
cas number: 110-86-1
iupac name: Pyridine @en
cas number: 85404-20-2
smiles: C1=CC=NC=C1
cas number: 62301-32-0
formula: C5H5N
pubchem: 1049
notation: pyrdne
inchikey: JUJWROOIHBZHMG-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0000089
in scheme: Conceptschema Chemische Stoffen

flurtamon
in scheme: Conceptschema Chemische Stoffen
cas number: 96525-23-4
type: ChemicalCompound
broader: CHEMONTID_0004551
pubchem: 91755
type: Concept
formula: C18H14F3NO2
inchikey: NYRMIJKDBAQCHC-UHFFFAOYSA-N
notation: flrtmn
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
type: ChemicalSubstance

2-nafthyloxyazijnzuur
pubchem: 8422
type: Concept
formula: C12H10O3
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 120-23-0
notation: 2NyOxHac
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)
smiles: C1=CC=C2C=C(C=CC2=C1)OCC(=O)O
iupac name: 2-naphthalen-2-yloxyacetic acid @en
broader: CHEMONTID_0000417
inchikey: RZCJYMOBWVJQGV-UHFFFAOYSA-N
type: ChemicalCompound

2,3-dichloor-1,1,1,2,3-pentafluorpropaan
formula: C3HCl2F5
cas number: 422-48-0
pubchem: 61111
smiles: C(C(C(F)(F)F)(F)Cl)(F)Cl
notation: HCFK225ba
broader: CHEMONTID_0001517
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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
type: Concept
inchikey: YGFIGGVCQHKDOL-UHFFFAOYSA-N
type: ChemicalSubstance

didodecyldimethylammonium bromide
type: Concept
smiles: CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]
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
notation: DC12yDC1yNH4
type: ChemicalCompound
broader: CHEMONTID_0004225
type: ChemicalSubstance
alternative label: didodecyldimethylammonium
cas number: 3282-73-3
in scheme: Conceptschema Chemische Stoffen
inchikey: XRWMGCFJVKDVMD-UHFFFAOYSA-M
formula: C26H56BrN
iupac name: didodecyl-dimethylazanium bromide @en
pubchem: 18669
cas number: 13146-86-6

1-(3-chloorfenyl)piperazine
in scheme: Conceptschema Chemische Stoffen
notation: 13ClFypprzne
inchikey: VHFVKMTVMIZMIK-UHFFFAOYSA-N
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
type: Concept
broader: CHEMONTID_0001984
iupac name: 1-(3-Chlorophenyl)piperazine @en
cas number: 6640-24-0
smiles: C1CN(CCN1)C2=CC(=CC=C2)Cl
type: ChemicalCompound
alternative label: 1-(3-Chloorfenyl)piperazine
pubchem: 1355
type: ChemicalSubstance
formula: C10H13ClN2

2,2-dibenzothiazyldisulfide
iupac name: 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole @en
notation: 22DbztazDS
pubchem: 8447
type: ChemicalSubstance
type: ChemicalCompound
formula: C14H8N2S4
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: AFZSMODLJJCVPP-UHFFFAOYSA-N
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
broader: CHEMONTID_0000311
cas number: 120-78-5
cas number: 109767-80-8

n-(1-methylpropyl)-2-butaanamine
alternative label: N-(1-methylpropyl)-2-butaanamine
broader: CHEMONTID_0002228
cas number: 626-23-3
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: N-butan-2-ylbutan-2-amine @en
smiles: CCC(C)NC(C)CC
type: ChemicalCompound
inchi: InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3
type: Concept
inchikey: OBYVIBDTOCAXSN-UHFFFAOYSA-N
notation: N1C1yC3y2C4a
pubchem: 12277
formula: C8H19N

2-methyllactonitril
pubchem: 6406
iupac name: 2-Hydroxy-2-methylpropanenitrile @en
cas number: 75-86-5
inchikey: MWFMGBPGAXYFAR-UHFFFAOYSA-N
broader: CHEMONTID_0001670
formula: C4H7NO
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC(C)(C#N)O
cas number: 59182-86-4
notation: 2C1yltntl

tannine
type: Concept
pubchem: 16129778
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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
cas number: 5424-20-4
broader: CHEMONTID_0001710
notation: tannne
inchikey: LRBQNJMCXXYXIU-PPKXGCFTSA-N
formula: C76H52O46
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
type: ChemicalCompound

dicyclohexylftalaat
cas number: 55819-02-8
pubchem: 6777
cas number: 169741-16-6
notation: DccC6yFt
type: ChemicalSubstance
cas number: 84-61-7
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: dicyclohexyl benzene-1,2-dicarboxylate @en
type: ChemicalCompound
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
broader: CHEMONTID_0001350
inchikey: VOWAEIGWURALJQ-UHFFFAOYSA-N
formula: C20H26O4

koolstoftetrachloride
inchikey: VZGDMQKNWNREIO-UHFFFAOYSA-N
notation: T4ClC1a
is referenced by: LUC IV 011
alternative label: tetrachloormethaan (tetra)
pubchem: 5943
formula: CCl4
broader: CHEMONTID_0004157
type: Concept
inchi: InChI=1S/CCl4/c2-1(3,4)5
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: C(Cl)(Cl)(Cl)Cl
comment: VLAR II bijl. 4.4.2
iupac name: Tetrachloromethane @en
is referenced by: LUC IV 002
type: ChemicalSubstance
is referenced by: LUC IV 000
alternative label: tetrachloormethaan
comment: VLAR III (D3)
cas number: 56-23-5

2,3-dimethylnaftaleen
smiles: CC1=CC2=CC=CC=C2C=C1C
inchikey: WWGUMAYGTYQSGA-UHFFFAOYSA-N
cas number: 581-40-8
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
broader: CHEMONTID_0000023
type: Concept
notation: 23DC1yNaf
type: ChemicalCompound
pubchem: 11386

geraniol
cas number: 624-15-7
pubchem: 637566
smiles: CC(=CCCC(=CCO)C)C
type: ChemicalSubstance
broader: CHEMONTID_0001127
iupac name: ['(2E)-3,7-dimethylocta-2,6-dien-1-ol', '3,7-dimethylocta-2,6-dien-1-ol'] @en
inchikey: GLZPCOQZEFWAFX-JXMROGBWSA-N
formula: C10H18O
type: ChemicalCompound
cas number: 68311-14-8
cas number: 8007-13-4
cas number: 106-24-1
type: Concept
notation: gernl
in scheme: Conceptschema Chemische Stoffen
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+

4-nonylfenol
inchikey: IGFHQQFPSIBGKE-UHFFFAOYSA-N
broader: CHEMONTID_0004646
pubchem: 1752
type: ChemicalCompound
smiles: CCCCCCCCCC1=CC=C(C=C1)O
alternative label: 4-n-nonylfenol
iupac name: 4-NONYLPHENOL @en
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
notation: 4C9yFol
cas number: 29832-11-9
cas number: 68081-86-7
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
is referenced by: WAC IV A 005
type: Concept
cas number: 104-40-5
formula: C15H24O

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

clozapine
in scheme: Conceptschema Chemische Stoffen
pubchem: 2818
cas number: 5786-21-0
broader: CHEMONTID_0000072
type: Concept
type: ChemicalSubstance
inchikey: ZUXABONWMNSFBN-UHFFFAOYSA-N
notation: clozpne
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
formula: C18H19ClN4
type: ChemicalCompound

propetamfos
notation: proptfs
formula: C10H20NO4PS
cas number: 31218-83-4
pubchem: 6434101
smiles: CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
inchikey: BZNDWPRGXNILMS-CLFYSBASSA-N
type: Concept
broader: CHEMONTID_0000324
iupac name: propan-2-yl (Z)-3-(ethylamino-methoxyphosphinothioyl)oxybut-2-enoate @en
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-

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

tetrachloorvinfos (mixed isomeren)
pubchem: 5842000
cas number: 22248-79-9
broader: CHEMONTID_0000037
type: Concept
notation: cT4Clvfs
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
alternative label: cis-tetrachloorvinfos (Z-isomeer)
inchikey: UBCKGWBNUIFUST-BJMVGYQFSA-N
cas number: 961-11-5
formula: C10H9Cl4O4P
alternative label: cis-tetrachloorvinfos (z-isomeer)
alternative label: tetrachloorvinfos
type: ChemicalSubstance
iupac name: [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate @en
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+
notation: T4Clvfs

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

dichloorprop
pubchem: 8427
alternative label: dichlorprop
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)
type: ChemicalCompound
inchikey: MZHCENGPTKEIGP-UHFFFAOYSA-N
broader: CHEMONTID_0004676
smiles: CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 2-(2,4-Dichlorophenoxy)propanoic acid @en
notation: 24DP
formula: C9H8Cl2O3
cas number: 120-36-5
alternative label: 2,4-dichloorfenoxypropionzuur
cas number: 7547-66-2
type: ChemicalSubstance

nicosulfuron
notation: nicsfrn
pubchem: 73281
iupac name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide @en
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)
cas number: 111991-09-4
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C15H18N6O6S
broader: CHEMONTID_0001861
type: ChemicalCompound
inchikey: RTCOGUMHFFWOJV-UHFFFAOYSA-N
type: Concept

crotamiton
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000285
pubchem: 688020
cas number: 483-63-6
notation: crotmtn
type: Concept
inchikey: DNTGGZPQPQTDQF-XBXARRHUSA-N
iupac name: ['(E)-N-ethyl-N-(2-methylphenyl)but-2-enamide', 'N-ethyl-N-(2-methylphenyl)but-2-enamide'] @en
type: ChemicalSubstance
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+
smiles: CCN(C1=CC=CC=C1C)C(=O)C=CC
type: ChemicalCompound
formula: C13H17NO

endrin keton
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: IZHZFAQWVKBTSL-UHFFFAOYSA-N
formula: C12H8Cl6O
type: ChemicalSubstance
cas number: 7378-10-1
cas number: 53494-70-5
iupac name: 1,2,2,3,10,11-hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-one @en
broader: CHEMONTID_0001549
pubchem: 62060
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

polybuteen
smiles: CCC=C
cas number: 172345-47-0
cas number: 25038-50-0
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 106-98-9
cas number: 61788-35-0
cas number: 9003-28-5
cas number: 33004-02-3
pubchem: 7844
inchikey: VXNZUUAINFGPBY-UHFFFAOYSA-N
cas number: 25167-67-3
type: Concept
type: ChemicalSubstance
cas number: 54366-07-3
broader: CHEMONTID_0004476
notation: polC4e
iupac name: But-1-ene @en
alternative label: 1-buteen
inchi: InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
cas number: 1735-75-7
formula: C4H8

ergocalciferol
cas number: 50-14-6
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0001460
type: ChemicalSubstance
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
formula: C28H44O
inchikey: MECHNRXZTMCUDQ-VLOQVYPSSA-N
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
pubchem: 6536972
notation: ergccfrl
type: ChemicalCompound

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

2,4-d isopropyl ester
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
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
alternative label: 2,4-D isopropyl ester
iupac name: propan-2-yl 2-(2,4-dichlorophenoxy)acetate @en
pubchem: 7173
formula: C11H12Cl2O3
inchikey: WHOKDONDRZNCBC-UHFFFAOYSA-N
broader: CHEMONTID_0000417
notation: 24DiC3yEsr
cas number: 94-11-1
smiles: CC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl
type: ChemicalSubstance
type: Concept

bitertanol
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol @en
pubchem: 91656
notation: bittnl
type: ChemicalCompound
formula: C20H23N3O2
cas number: 55179-31-2
inchikey: VGPIBGGRCVEHQZ-UHFFFAOYSA-N
broader: CHEMONTID_0000041
type: Concept

tetracycline
notation: T4ccne
formula: C22H24N2O8
type: ChemicalSubstance
pubchem: 5280962
broader: CHEMONTID_0000181
type: Concept
inchikey: JYHCQVWYCGHXGP-BPPSBWQWSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 60-54-8
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
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

rimexolon
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
pubchem: 39507
type: Concept
broader: CHEMONTID_0003058
in scheme: Conceptschema Chemische Stoffen
inchikey: QTTRZHGPGKRAFB-PAIWTFDUSA-N
cas number: 49697-38-3
formula: C24H34O3
notation: rimoln
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
type: ChemicalSubstance
type: ChemicalCompound

fosfamidon
formula: C10H19ClNO5P
broader: CHEMONTID_0003459
type: ChemicalCompound
pubchem: 3032604
smiles: CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl
cas number: 23783-98-4
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
in scheme: Conceptschema Chemische Stoffen
cas number: 13171-21-6
inchikey: RGCLLPNLLBQHPF-HJWRWDBZSA-N
type: Concept
notation: cfosfmdn
notation: fosfmdn
type: ChemicalSubstance
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-
alternative label: cis-fosfamidon

1-isopropyl-3-methyl-benzeen (m-cymeen)
type: Concept
formula: C10H14
type: ChemicalCompound
cas number: 535-77-3
iupac name: 1-methyl-3-propan-2-ylbenzene @en
inchi: InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
inchikey: XCYJPXQACVEIOS-UHFFFAOYSA-N
pubchem: 10812
smiles: CC1=CC(=CC=C1)C(C)C
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 1iC3y3C1yBen
broader: CHEMONTID_0000355

1,2-dihydro-2,2,4-trimethylquinoline
pubchem: 8981
cas number: 55069-42-6
cas number: 26780-96-1
formula: C12H15N
in scheme: Conceptschema Chemische Stoffen
cas number: 52038-43-4
type: ChemicalCompound
cas number: 147-47-7
notation: 12DH224TC1yq
inchi: InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3
type: Concept
broader: CHEMONTID_0001716
smiles: CC1=CC(NC2=CC=CC=C12)(C)C
iupac name: 2,2,4-trimethyl-1H-quinoline @en
type: ChemicalSubstance
inchikey: ZNRLMGFXSPUZNR-UHFFFAOYSA-N

diundecylftalaat (vertakt en lineair)
in scheme: Conceptschema Chemische Stoffen
iupac name: diundecyl benzene-1,2-dicarboxylate @en
alternative label: diundecylftalaat
type: Concept
notation: DC11yFtvteln
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
notation: DC11yFt
pubchem: 19283
inchikey: QQVHEQUEHCEAKS-UHFFFAOYSA-N
cas number: 154766-25-3
cas number: 85507-79-5
alternative label: di-n-undecylftalaat
type: ChemicalSubstance
type: ChemicalCompound
formula: C30H50O4
broader: CHEMONTID_0001350
cas number: 3648-20-2

4,4'-dinitrostilbeen-2,2'-disulfonzuur
type: ChemicalCompound
cas number: 128-42-7
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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
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
notation: 44DNO2sb22Ds
inchikey: UETHPMGVZHBAFB-OWOJBTEDSA-N
formula: C14H10N2O10S2
type: Concept
broader: CHEMONTID_0004785
pubchem: 5282251

aziprotryn
smiles: CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0004735
iupac name: 4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine @en
type: ChemicalCompound
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)
pubchem: 3032472
notation: azptn
in scheme: Conceptschema Chemische Stoffen
inchikey: AFIIBUOYKYSPKB-UHFFFAOYSA-N
cas number: 4658-28-0
formula: C7H11N7S

isoxathion
notation: ixtton
in scheme: Conceptschema Chemische Stoffen
iupac name: diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidenephosphorane @en
cas number: 18854-01-8
type: ChemicalCompound
pubchem: 29307
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
formula: C13H16NO4PS
broader: CHEMONTID_0004623
type: Concept
smiles: CCOP(=S)(OCC)OC1=NOC(=C1)C2=CC=CC=C2
type: ChemicalSubstance
inchikey: SDMSCIWHRZJSRN-UHFFFAOYSA-N

metribuzin-desamino
type: Concept
inchikey: MIWRSUQXSCLDNV-UHFFFAOYSA-N
formula: C8H13N3OS
type: ChemicalCompound
iupac name: 6-tert-butyl-3-methylsulfanyl-2H-1,2,4-triazin-5-one @en
notation: metbzdAo
pubchem: 37028
smiles: CC(C)(C)C1=NNC(=NC1=O)SC
inchi: InChI=1S/C8H13N3OS/c1-8(2,3)5-6(12)9-7(13-4)11-10-5/h1-4H3,(H,9,11,12)
type: ChemicalSubstance
cas number: 35045-02-4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004631

gemcitabine
cas number: 95058-81-4
smiles: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0002180
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
type: Concept
pubchem: 60750
formula: C9H11F2N3O4
type: ChemicalCompound
notation: gemctbne
iupac name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one @en
inchikey: SDUQYLNIPVEERB-QPPQHZFASA-N

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

2,5-diethoxyaniline
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
type: Concept
inchikey: XPKFTIYOZUJAGA-UHFFFAOYSA-N
notation: 25DC2oxAn
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: CCOC1=CC(=C(C=C1)OCC)N
broader: CHEMONTID_0004670
cas number: 94-85-9
pubchem: 66756
iupac name: 2,5-Diethoxyaniline @en
type: ChemicalSubstance

5-methyl-o-anisidine
smiles: CC1=CC(=C(C=C1)OC)N
broader: CHEMONTID_0004670
formula: C8H11NO
type: Concept
inchikey: WXWCDTXEKCVRRO-UHFFFAOYSA-N
notation: 5C1yoansdne
inchi: InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
type: ChemicalSubstance
pubchem: 8445
iupac name: 2-Methoxy-5-methylaniline @en
in scheme: Conceptschema Chemische Stoffen
cas number: 120-71-8
type: ChemicalCompound

fytol
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: fytl
cas number: 5016-81-9
type: ChemicalSubstance
pubchem: 5280435
cas number: 7541-49-3
type: ChemicalCompound
broader: CHEMONTID_0001357
formula: C20H40O
smiles: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C
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
inchikey: BOTWFXYSPFMFNR-PYDDKJGSSA-N
cas number: 150-86-7

1-methyl-1h-imidazool-2-carbaldehyde
iupac name: 1-methylimidazole-2-carbaldehyde @en
formula: C5H6N2O
cas number: 13750-81-7
alternative label: 1-methyl-1H-imidazool-2-carbaldehyde
type: ChemicalSubstance
type: ChemicalCompound
notation: 1C1y1Himdz2c
smiles: CN1C=CN=C1C=O
broader: CHEMONTID_0003213
inchikey: UEBFLTZXUXZPJO-UHFFFAOYSA-N
pubchem: 139575
inchi: InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3
type: Concept
in scheme: Conceptschema Chemische Stoffen

tebutam
notation: tebtm
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
broader: CHEMONTID_0002279
cas number: 35256-85-0
iupac name: 2,2-dimethyl-N-(phenylmethyl)-N-propan-2-ylpropanamide @en
formula: C15H23NO
pubchem: 92299
inchikey: RJKCKKDSSSRYCB-UHFFFAOYSA-N
type: ChemicalCompound
smiles: CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C
type: ChemicalSubstance

9-butyldocosaan
formula: C26H54
type: ChemicalSubstance
type: Concept
pubchem: 291309
type: ChemicalCompound
broader: CHEMONTID_0004620
notation: 9C4yC22a
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCC(CCCC)CCCCCCCC
inchikey: OIHDCDZZRDGEIB-UHFFFAOYSA-N
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
cas number: 55282-14-9

decylfenol
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
pubchem: 3032831
broader: CHEMONTID_0004647
iupac name: 2-decylphenol @en
type: ChemicalCompound
type: Concept
smiles: CCCCCCCCCCC1=CC=CC=C1O
inchikey: FDIPWBUDOCPIMH-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 27157-66-0

codeine
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 76-57-3
broader: CHEMONTID_0000058
notation: codine
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
inchikey: OROGSEYTTFOCAN-DNJOTXNNSA-N
pubchem: 5284371
type: ChemicalCompound
type: Concept

plutonium
iupac name: PLUTONIUM @en
cas number: 7440-07-5
inchi: InChI=1S/Pu
formula: Pu
pubchem: 23940
in scheme: Conceptschema Chemische Stoffen
smiles: [Pu]
notation: Pu
type: ChemicalCompound
cas number: 22541-44-2
broader: CHEMONTID_0000430
type: Concept
type: ChemicalSubstance
cas number: 22541-69-1
inchikey: OYEHPCDNVJXUIW-UHFFFAOYSA-N

polonium
pubchem: 6328143
formula: Po
type: ChemicalSubstance
cas number: 56797-55-8
type: Concept
notation: Po
smiles: [Po]
inchi: InChI=1S/Po
in scheme: Conceptschema Chemische Stoffen
cas number: 7440-08-6
broader: CHEMONTID_0000431
inchikey: HZEBHPIOVYHPMT-UHFFFAOYSA-N
iupac name: POLONIUM @en
type: ChemicalCompound

2,2',3,3',5,5',6-heptachloorbifenyl
in scheme: Conceptschema Chemische Stoffen
pubchem: 40474
formula: C12H3Cl7
type: ChemicalCompound
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
inchikey: WCIBKXHMIXUQHK-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 52663-67-9
type: Concept
iupac name: 1,2,4,5-tetrachloro-3-(2,3,5-trichlorophenyl)benzene @en
broader: CHEMONTID_0003030
notation: PCB178

2,2',3,3',4,5',6-heptachloorbifenyl
cas number: 52663-70-4
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
inchikey: CXOYNJAHPUASHN-UHFFFAOYSA-N
iupac name: 1,2,4,5-tetrachloro-3-(2,3,4-trichlorophenyl)benzene @en
type: ChemicalCompound
formula: C12H3Cl7
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
type: Concept
notation: PCB177
type: ChemicalSubstance
pubchem: 40477

2-acetylpyrrol
notation: 2actprl
cas number: 1072-83-9
smiles: CC(=O)C1=CC=CN1
formula: C6H7NO
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: IGJQUJNPMOYEJY-UHFFFAOYSA-N
pubchem: 14079
type: Concept
iupac name: 1-(1H-Pyrrol-2-yl)ethanone @en
type: ChemicalCompound
inchi: InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
broader: CHEMONTID_0003671

quinclorac
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)
type: ChemicalSubstance
cas number: 113875-40-4
inchikey: FFSSWMQPCJRCRV-UHFFFAOYSA-N
type: Concept
pubchem: 91739
type: ChemicalCompound
formula: C10H5Cl2NO2
broader: CHEMONTID_0002552
notation: quincrc
iupac name: 3,7-Dichloroquinoline-8-carboxylic acid @en
smiles: C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl
in scheme: Conceptschema Chemische Stoffen
cas number: 84087-01-4

5-hydroxythiabendazole
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)
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol @en
formula: C10H7N3OS
notation: 5HOxtabdzle
type: ChemicalSubstance
cas number: 948-71-0
smiles: C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3
broader: CHEMONTID_0000294
type: ChemicalCompound
type: Concept
pubchem: 108227
inchikey: VNENJHUOPQAPAT-UHFFFAOYSA-N

1-butyl 2-octylbenzeen-1,2-dicarboxylaat
broader: CHEMONTID_0001350
formula: C20H30O4
in scheme: Conceptschema Chemische Stoffen
pubchem: 66540
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
type: Concept
cas number: 84-78-6
inchikey: MURWRBWZIMXKGC-UHFFFAOYSA-N
iupac name: O2-butyl O1-octyl benzene-1,2-dicarboxylate @en
smiles: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
type: ChemicalSubstance
type: ChemicalCompound
notation: 1C4y2C8yBenz

di-isodecylftalaat (mix van isomeren)
in scheme: Conceptschema Chemische Stoffen
cas number: 105009-98-1
alternative label: C10-rijk di-C9-11-vertakt alkylftalaat
cas number: 148384-02-5
broader: CHEMONTID_0001350
type: Concept
type: ChemicalCompound
cas number: 68515-49-1
cas number: 119394-45-5
cas number: 26761-40-0
inchikey: ZVFDTKUVRCTHQE-UHFFFAOYSA-N
cas number: 89-16-7
type: ChemicalSubstance
alternative label: diisodecylftalaat
iupac name: bis(8-methylnonyl) benzene-1,2-dicarboxylate @en
pubchem: 33599
notation: C10D911akFt
cas number: 1341-39-5
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
formula: C28H46O4
notation: DiC10yFt

saccharose
cas number: 86101-30-6
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
cas number: 100405-08-1
cas number: 25702-74-3
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
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
pubchem: 5988
cas number: 146187-04-4
inchikey: CZMRCDWAGMRECN-UGDNZRGBSA-N
cas number: 51909-69-4
notation: saccrse
broader: CHEMONTID_0002207
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
type: ChemicalSubstance
cas number: 47185-09-1
formula: C12H22O11
cas number: 151756-02-4
type: Concept

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

cefobid
type: ChemicalCompound
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
cas number: 62893-19-0
inchikey: NCFTXMQPRQZFMZ-WERGMSTESA-M
type: Concept
broader: CHEMONTID_0001189
pubchem: 44186
type: ChemicalSubstance
cas number: 62893-20-3
formula: C25H26N9NaO8S2
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
in scheme: Conceptschema Chemische Stoffen

fenothrin
broader: CHEMONTID_0001461
cas number: 53528-32-8
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
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 4767
notation: fentn
inchikey: SBNFWQZLDJGRLK-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 26002-80-2
formula: C23H26O3
cas number: 73170-79-3

1,3-diethyl-1,3-difenylureum
cas number: 85-98-3
inchikey: PZIMIYVOZBTARW-UHFFFAOYSA-N
smiles: CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2
pubchem: 6828
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
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001935
type: ChemicalSubstance
iupac name: 1,3-diethyl-1,3-di(phenyl)urea @en
type: ChemicalCompound
notation: 13DC2y13Dfyu
type: Concept
formula: C17H20N2O

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

naftaleen-1,3,6-trisulfonaat,natriumzout
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
notation: Naf136TsfntN
broader: CHEMONTID_0003601
inchikey: BERQWQSQOIEUMA-UHFFFAOYSA-M
type: ChemicalCompound
iupac name: sodium 3,6-disulfonaphthalene-1-sulfonate @en
pubchem: 88066
formula: C10H7NaO9S3
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
cas number: 19437-42-4

5-methyl-1H-benzotriazool
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)
pubchem: 8705
iupac name: 5-methyl-2H-benzotriazole @en
type: ChemicalSubstance
cas number: 136-85-6
notation: 5C1y1Hbztazl
cas number: 49636-02-4
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: LRUDIIUSNGCQKF-UHFFFAOYSA-N
broader: CHEMONTID_0000315
smiles: CC1=CC2=NNN=C2C=C1
type: ChemicalCompound

fenamifos-sulfoxide
in scheme: Conceptschema Chemische Stoffen
cas number: 31972-43-7
type: ChemicalCompound
inchikey: LUQMWGMGWJEGAT-UHFFFAOYSA-N
type: Concept
formula: C13H22NO4PS
broader: CHEMONTID_0004632
notation: fenamfSO
type: ChemicalSubstance
pubchem: 36027
smiles: CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)C)C
cas number: 124793-11-9
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

1-eicosanol
type: ChemicalSubstance
notation: 1C20ol
type: Concept
broader: CHEMONTID_0002951
formula: C20H42O
inchikey: BTFJIXJJCSYFAL-UHFFFAOYSA-N
cas number: 28679-05-2
pubchem: 12404
smiles: CCCCCCCCCCCCCCCCCCCCO
in scheme: Conceptschema Chemische Stoffen
cas number: 629-96-9
iupac name: Icosan-1-ol @en
type: ChemicalCompound

ioxynil
broader: CHEMONTID_0001530
cas number: 1689-83-4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 4-Hydroxy-3,5-diiodobenzonitrile @en
inchi: InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
formula: C7H3I2NO
pubchem: 15530
inchikey: NRXQIUSYPAHGNM-UHFFFAOYSA-N
type: Concept
smiles: C1=C(C=C(C(=C1I)O)I)C#N
notation: iOxnl

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

captafol
cas number: 2425-06-1
cas number: 2939-80-2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001820
iupac name: 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione @en
notation: captfl
inchikey: JHRWWRDRBPCWTF-UHFFFAOYSA-N
formula: C10H9Cl4NO2S
type: ChemicalSubstance
cas number: 61913-12-0
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
smiles: C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl
pubchem: 17038
cas number: 30017-05-1

2-nitrotolueen
notation: 2NO2Tol
inchikey: PLAZTCDQAHEYBI-UHFFFAOYSA-N
iupac name: 1-Methyl-2-nitrobenzene @en
smiles: CC1=CC=CC=C1[N+](=O)[O-]
type: ChemicalSubstance
cas number: 57158-05-1
inchi: InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
cas number: 88-72-2
pubchem: 6944
type: ChemicalCompound
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
formula: C7H7NO2
type: Concept

decaanzuur
cas number: 334-48-5
inchi: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
notation: C10azr
type: ChemicalCompound
type: Concept
iupac name: Decanoic acid @en
formula: C10H20O2
broader: CHEMONTID_0003086
type: ChemicalSubstance
cas number: 52627-73-3
smiles: CCCCCCCCCC(=O)O
inchikey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
pubchem: 2969
in scheme: Conceptschema Chemische Stoffen

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

2,2',4,4',5-pentachloorbifenyl
type: ChemicalSubstance
pubchem: 38013
type: ChemicalCompound
notation: PCB99
iupac name: 1,2,4-trichloro-5-(2,4-dichlorophenyl)benzene @en
type: Concept
inchikey: LMQJBFRGXHMNOX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0003030

nitrosopiperidine
type: ChemicalSubstance
notation: NOpprdne
formula: C5H10N2O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2
iupac name: 1-Nitrosopiperidine @en
cas number: 100-75-4
smiles: C1CCN(CC1)N=O
pubchem: 7526
broader: CHEMONTID_0002442
type: Concept
cas number: 68374-62-9
type: ChemicalCompound
inchikey: UWSDONTXWQOZFN-UHFFFAOYSA-N

2,3,6-trichloorfenol
inchi: InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
formula: C6H3Cl3O
smiles: C1=CC(=C(C(=C1Cl)O)Cl)Cl
pubchem: 13618
broader: CHEMONTID_0002771
type: ChemicalSubstance
type: Concept
inchikey: XGCHAIDDPMFRLJ-UHFFFAOYSA-N
cas number: 933-75-5
in scheme: Conceptschema Chemische Stoffen
notation: 236TClFol
iupac name: 2,3,6-TRICHLOROPHENOL @en
type: ChemicalCompound

dipropylnitrosamine
pubchem: 12130
broader: CHEMONTID_0004777
smiles: CCCN(CCC)N=O
type: Concept
cas number: 621-64-7
formula: C6H14N2O
notation: DC3yNOAe
type: ChemicalSubstance
type: ChemicalCompound
inchikey: YLKFDHTUAUWZPQ-UHFFFAOYSA-N
inchi: InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-dipropylnitrous amide @en

fullereen c60
notation: fullrnC60
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
cas number: 99685-96-8
alternative label: fullereen C60
pubchem: 123591
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000518
type: ChemicalSubstance
formula: C60
inchikey: XMWRBQBLMFGWIX-UHFFFAOYSA-N

ozon
smiles: [O-][O+]=O
formula: O3
type: ChemicalCompound
inchikey: CBENFWSGALASAD-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/O3/c1-3-2
cas number: 74087-86-8
notation: ozn
iupac name: OZONE @en
pubchem: 24823
broader: CHEMONTID_0000554
cas number: 10028-15-6
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

n-pentadecaan
broader: CHEMONTID_0002500
type: Concept
formula: C15H32
inchikey: YCOZIPAWZNQLMR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 12391
notation: NC15a
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
smiles: CCCCCCCCCCCCCCC
type: ChemicalSubstance
cas number: 629-62-9

isoforon-nitril
iupac name: 1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile @en
type: Concept
inchi: InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 78948-79-5
cas number: 144975-27-9
cas number: 7027-11-4
pubchem: 99068
inchikey: JJDFVIDVSCYKDS-UHFFFAOYSA-N
broader: CHEMONTID_0003487
smiles: CC1(CC(=O)CC(C1)(C)C#N)C
notation: ifrntl
formula: C10H15NO

dimethyltetrasulfide
formula: C2H6S4
inchikey: NPNIZCVKXVRCHF-UHFFFAOYSA-N
smiles: CSSSSC
broader: CHEMONTID_0003260
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3
cas number: 5756-24-1
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 79828
type: Concept
cas number: 85931-55-1
notation: DC1yT4S
iupac name: methyldisulfanyldisulfanylmethane @en

oxadiazon
inchikey: CHNUNORXWHYHNE-UHFFFAOYSA-N
formula: C15H18Cl2N2O3
type: Concept
notation: OaDazn
pubchem: 29732
type: ChemicalSubstance
iupac name: 5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
type: ChemicalCompound
cas number: 19666-30-9

furmecyclox
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
inchikey: QTDRLOKFLJJHTG-UHFFFAOYSA-N
type: Concept
smiles: CC1=CC(=C(O1)C)C(=O)N(C2CCCCC2)OC
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: furmccx
broader: CHEMONTID_0004759
cas number: 60568-05-0
formula: C14H21NO3
type: ChemicalSubstance
pubchem: 43359

difenylmethaan
notation: DFyC1a
inchi: InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
formula: C13H12
type: Concept
broader: CHEMONTID_0000369
type: ChemicalCompound
smiles: C1=CC=C(C=C1)CC2=CC=CC=C2
pubchem: 7580
cas number: 101-81-5
inchikey: CZZYITDELCSZES-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: phenylmethylbenzene @en
in scheme: Conceptschema Chemische Stoffen

lincomycine
type: ChemicalCompound
inchikey: LFZGYTBWUHCAKF-DCNJEFSFSA-N
pubchem: 71476
cas number: 154-21-2
type: ChemicalSubstance
notation: lincmcne
formula: C18H37ClN2O7S
cas number: 7179-49-9
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004322
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
type: Concept

methyldifenylfosfineoxide
cas number: 2129-89-7
formula: C13H13OP
iupac name: (methyl-phenylphosphoryl)benzene @en
notation: C1yDFyPO
type: ChemicalSubstance
inchikey: PEGCITODQASXKH-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 75041
smiles: CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
inchi: InChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
type: Concept
broader: CHEMONTID_0001814

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

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

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

fenfuram
cas number: 68445-15-8
broader: CHEMONTID_0002279
formula: C12H11NO2
notation: fenfrm
cas number: 24691-80-3
type: Concept
inchikey: JFSPBVWPKOEZCB-UHFFFAOYSA-N
type: ChemicalCompound
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)
type: ChemicalSubstance
iupac name: 2-methyl-N-phenylfuran-3-carboxamide @en
pubchem: 90590
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=CO1)C(=O)NC2=CC=CC=C2

cloquintoceet-mexyl
in scheme: Conceptschema Chemische Stoffen
iupac name: heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate @en
pubchem: 93528
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0000417
inchikey: COYBRKAVBMYYSF-UHFFFAOYSA-N
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
cas number: 99607-70-2
type: Concept
formula: C18H22ClNO3
notation: cloqtcmxl

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

jodipamide
iupac name: 3-[[6-[(3-carboxy-2,4,6-triiodophenyl)amino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid @en
pubchem: 3739
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004361
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)
notation: jodpAd
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: FFINMCNLQNTKLU-UHFFFAOYSA-N
cas number: 606-17-7

2,4-dimethylquinoline
cas number: 1198-37-4
type: ChemicalSubstance
inchikey: ZTNANFDSJRRZRJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001253
pubchem: 14536
smiles: CC1=CC(=NC2=CC=CC=C12)C
iupac name: 2,4-Dimethylquinoline @en
inchi: InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3
formula: C11H11N
type: ChemicalCompound
type: Concept
notation: 24DC1yqnlne

tolbutamide
broader: CHEMONTID_0000031
formula: C12H18N2O3S
type: ChemicalSubstance
inchikey: JLRGJRBPOGGCBT-UHFFFAOYSA-N
pubchem: 5505
cas number: 64-77-7
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)
type: ChemicalCompound
notation: tolbAd
cas number: 100735-34-0
type: Concept
iupac name: 1-butyl-3-(4-methylphenyl)sulfonylurea @en
smiles: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
in scheme: Conceptschema Chemische Stoffen

2-ethylhexylglycidylether
formula: C11H22O2
cas number: 2461-15-6
cas number: 145928-91-2
inchikey: BBBUAWSVILPJLL-UHFFFAOYSA-N
pubchem: 17162
type: ChemicalCompound
notation: 2C2yC6ygcdEt
cas number: 98913-53-2
cas number: 102640-36-8
inchi: InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3
type: Concept
smiles: CCCCC(CC)COCC1CO1
iupac name: 2-(2-ethylhexoxymethyl)oxirane @en
broader: CHEMONTID_0000159
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

tri(2-chloorethyl)fosfaat
cas number: 115-96-8
alternative label: tris-(2-chloorethyl)-fosfaat
pubchem: 8295
inchikey: HQUQLFOMPYWACS-UHFFFAOYSA-N
cas number: 68411-66-5
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003460
smiles: C(CCl)OP(=O)(OCCCl)OCCCl
type: ChemicalSubstance
cas number: 21343-84-0
inchi: InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
notation: T2ClC2yPO4
formula: C6H12Cl3O4P
type: ChemicalCompound
iupac name: ['Tris(2-chloroethyl) phosphate', 'tris(2-chloroethoxy)-hydroxyphosphanium'] @en
type: Concept

hydroxyzine
type: ChemicalCompound
iupac name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol @en
notation: Hoxzne
pubchem: 3658
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
formula: C21H27ClN2O2
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: ZQDWXGKKHFNSQK-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 68-88-2
broader: CHEMONTID_0000369

glyfosaat-isopropylammonium
cas number: 96639-11-1
inchikey: ZEKANFGSDXODPD-UHFFFAOYSA-N
iupac name: 2-(phosphonomethylamino)acetic acid; propan-2-amine @en
cas number: 96638-41-4
cas number: 38641-94-0
formula: C6H17N2O5P
cas number: 39226-77-2
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 38078
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
cas number: 258263-91-1
notation: glyfsiC3yNH4
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 106805-61-2
broader: CHEMONTID_0000060
smiles: CC(C)N.C(C(=O)O)NCP(=O)(O)O

trans-permetryn
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
alternative label: trans-permethrin
pubchem: 43859
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
type: Concept
broader: CHEMONTID_0001461
formula: C21H20Cl2O3
notation: tpermtn
cas number: 61949-77-7
inchikey: RLLPVAHGXHCWKJ-MJGOQNOKSA-N
iupac name: [3-(phenoxy)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
type: ChemicalSubstance

koolstofmonoxide
smiles: [C-]#[O+]
type: ChemicalSubstance
is referenced by: LUC II 001
alternative label: koolstofmonoxide (CO)
cas number: 18421-60-8
cas number: 192819-80-0
iupac name: carbon monoxide @en
inchi: InChI=1S/CO/c1-2
alternative label: koolmonoxide
type: ChemicalCompound
notation: CO
cas number: 167416-30-0
cas number: 162342-48-5
type: Concept
broader: CHEMONTID_0000434
cas number: 630-08-0
comment: VLAR III (D3, diverse art) 'CO'
inchikey: UGFAIRIUMAVXCW-UHFFFAOYSA-N
pubchem: 281
formula: CO
comment: VLAR II (D2) 'koolmonoxide'
cas number: 153929-54-5
cas number: 82063-46-5
comment: VLAR bijl. 2.5.3. diverse plaatsen 'koolmonoxide'
cas number: 155399-52-3
comment: VLAR II bijl. 4.4.2 'koolstofmonoxide'
in scheme: Conceptschema Chemische Stoffen

broompropylaat
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
inchikey: FOANIXZHAMJWOI-UHFFFAOYSA-N
type: Concept
notation: Brpplt
formula: C17H16Br2O3
type: ChemicalSubstance
type: ChemicalCompound
cas number: 18181-80-1
iupac name: propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate @en
pubchem: 28936
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
cas number: 39394-17-7

naftaleen-1,3,5-trisulfonzuur
inchikey: INMHJULHWVWVFN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0003601
iupac name: naphthalene-1,3,5-trisulfonic acid @en
formula: C10H8O9S3
cas number: 6654-64-4
pubchem: 81165
notation: Naf135Tsfzr
type: Concept
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)
type: ChemicalSubstance

benzylamine
inchikey: WGQKYBSKWIADBV-UHFFFAOYSA-N
formula: C7H9N
cas number: 100-46-9
type: Concept
broader: CHEMONTID_0000185
pubchem: 7504
notation: benzAe
type: ChemicalSubstance
smiles: C1=CC=C(C=C1)CN
type: ChemicalCompound
inchi: InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
iupac name: phenylmethanamine @en
in scheme: Conceptschema Chemische Stoffen

6-o-monoacetylmorfine
type: ChemicalCompound
cas number: 2784-73-8
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
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
broader: CHEMONTID_0000058
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 6oMactmfne
type: Concept
pubchem: 5462507
inchikey: JJGYGPZNTOPXGV-SSTWWWIQSA-N

chloortetracycline hydrochloride
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
broader: CHEMONTID_0000181
type: ChemicalSubstance
alternative label: chloortetracycline
in scheme: Conceptschema Chemische Stoffen
cas number: 57-62-5
notation: ClT4ccne
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
type: Concept
cas number: 64-72-2
inchikey: RRXOSDMYCQSQHB-MRYPCDLHSA-N
notation: ClT4ccnHCl
pubchem: 5282486
formula: C22H24Cl2N2O8
type: ChemicalCompound

pyridaat
notation: pyrdt
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 55512-33-9
broader: CHEMONTID_0004147
iupac name: (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate @en
formula: C19H23ClN2O2S
pubchem: 41463
type: ChemicalCompound
inchikey: JTZCTMAVMHRNTR-UHFFFAOYSA-N

pentanal (n-valeraldehyde)
broader: CHEMONTID_0002434
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCC=O
type: Concept
inchikey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
notation: C5al
pubchem: 8063
cas number: 110-62-3
inchi: InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
formula: C5H10O
type: ChemicalSubstance
type: ChemicalCompound
iupac name: Pentanal @en

flufenoxuron
notation: flufnxrn
cas number: 101463-69-8
iupac name: N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004513
inchikey: RYLHNOVXKPXDIP-UHFFFAOYSA-N
formula: C21H11ClF6N2O3
type: Concept
type: ChemicalCompound
pubchem: 91766
type: ChemicalSubstance

strontium 85
iupac name: strontium-85 @en
cas number: 13967-73-2
in scheme: Conceptschema Chemische Stoffen
formula: Sr
inchi: InChI=1S/Sr/i1-3
type: ChemicalSubstance
notation: Sr85
broader: CHEMONTID_0000428
type: Concept
pubchem: 5464271
smiles: [Sr]
inchikey: CIOAGBVUUVVLOB-OIOBTWANSA-N
type: ChemicalCompound

1-hydroxyethylideen-1,1-difosfonzuur
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)
type: ChemicalCompound
type: ChemicalSubstance
cas number: 66216-98-6
inchikey: DBVJJBKOTRCVKF-UHFFFAOYSA-N
cas number: 100511-44-2
formula: C2H8O7P2
cas number: 86159-18-4
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 129130-42-3
cas number: 2809-21-4
notation: HEDP
smiles: CC(O)(P(=O)(O)O)P(=O)(O)O
cas number: 106908-76-3
cas number: 51888-66-5
cas number: 85985-26-8
pubchem: 3305
broader: CHEMONTID_0000327
iupac name: ['(1-hydroxy-1-phosphonoethyl)phosphonic acid', 'trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium'] @en

2-fenylamino-ethanol
iupac name: 2-(Phenylamino)ethanol @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003924
type: Concept
formula: C8H11NO
smiles: C1=CC=C(C=C1)NCCO
inchi: InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
notation: 2FyAoC2ol
type: ChemicalCompound
pubchem: 31235
type: ChemicalSubstance
cas number: 122-98-5
inchikey: MWGATWIBSKHFMR-UHFFFAOYSA-N

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

2-methyl-1-propaanthiol
type: ChemicalCompound
cas number: 513-44-0
broader: CHEMONTID_0001212
inchi: InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
inchikey: BDFAOUQQXJIZDG-UHFFFAOYSA-N
notation: 2C1y1C3atol
pubchem: 10558
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C4H10S
type: ChemicalSubstance
iupac name: 2-Methylpropane-1-thiol @en
smiles: CC(C)CS

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

acetylsulfamethoxazol
pubchem: 65280
cas number: 21312-10-7
inchikey: GXPIUNZCALHVBA-UHFFFAOYSA-N
broader: CHEMONTID_0000031
iupac name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide @en
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)
formula: C12H13N3O4S
notation: actsfmtozl
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept

sorbinezuur
cas number: 22500-92-1
type: ChemicalSubstance
broader: CHEMONTID_0003086
inchikey: WSWCOQWTEOXDQX-MQQKCMAXSA-N
inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
type: ChemicalCompound
cas number: 91751-55-2
iupac name: ['Hexa-2,4-dienoic acid', '(4E)-hexa-2,4-dienoic acid'] @en
pubchem: 643460
notation: sorbnzr
in scheme: Conceptschema Chemische Stoffen
cas number: 110-44-1
cas number: 5309-56-8
formula: C6H8O2
type: Concept
smiles: CC=CC=CC(=O)O

4-formylaminoantipyrine
inchikey: WSJBSKRPKADYRQ-UHFFFAOYSA-N
cas number: 1672-58-8
type: Concept
type: ChemicalCompound
notation: 4formAoatprn
broader: CHEMONTID_0002019
pubchem: 72666
formula: C12H13N3O2
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O
iupac name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamide @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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)

1,1,2,2-tetrachloor-1,2-difluorethaan
notation: CFK112
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 76-12-0
type: ChemicalCompound
broader: CHEMONTID_0004521
inchikey: UGCSPKPEHQEOSR-UHFFFAOYSA-N
inchi: InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8
formula: C2Cl4F2
iupac name: 1,1,2,2-Tetrachloro-1,2-difluoroethane @en
pubchem: 6427
smiles: C(C(F)(Cl)Cl)(F)(Cl)Cl
type: Concept

fluazolaat
type: ChemicalCompound
cas number: 174514-07-9
type: ChemicalSubstance
type: Concept
pubchem: 3083545
in scheme: Conceptschema Chemische Stoffen
notation: fluazlt
iupac name: propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate @en
formula: C15H12BrClF4N2O2
inchikey: FKLQIONHGSFYJY-UHFFFAOYSA-N
broader: CHEMONTID_0002019

3-chloor-2-methyl-1-propeen
cas number: 563-47-3
broader: CHEMONTID_0001516
notation: 3Cl2C1y1C3e
type: ChemicalSubstance
type: Concept
iupac name: 3-Chloro-2-methylprop-1-ene @en
smiles: CC(=C)CCl
inchi: InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
pubchem: 11241
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C4H7Cl
inchikey: OHXAOPZTJOUYKM-UHFFFAOYSA-N

chloorprothixene
iupac name: (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine @en
inchikey: WSPOMRSOLSGNFJ-AUWJEWJLSA-N
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-
pubchem: 667467
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
broader: CHEMONTID_0000199
type: ChemicalCompound
formula: C18H18ClNS
cas number: 113-59-7
notation: Clptxne

hydropreen
cas number: 41205-09-8
notation: Hpn
type: Concept
broader: CHEMONTID_0001550
iupac name: ['ethyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate', 'Ethyl 3,7,11-trimethyldodeca-2,4-dienoate'] @en
cas number: 36557-30-9
cas number: 36804-82-7
in scheme: Conceptschema Chemische Stoffen
inchikey: FYQGBXGJFWXIPP-UEVLXMDPSA-N
smiles: CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C
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+
cas number: 38473-62-0
pubchem: 5372477
cas number: 41096-46-2
formula: C17H30O2
type: ChemicalCompound
type: ChemicalSubstance

nitropyrrolidine
type: Concept
cas number: 930-55-2
smiles: C1CCN(C1)N=O
notation: NOprldne
type: ChemicalSubstance
inchikey: WNYADZVDBIBLJJ-UHFFFAOYSA-N
formula: C4H8N2O
broader: CHEMONTID_0000218
pubchem: 13591
iupac name: 1-Nitrosopyrrolidine @en
in scheme: Conceptschema Chemische Stoffen
cas number: 68374-63-0
cas number: 35884-45-8
inchi: InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
type: ChemicalCompound

isobutanol
inchikey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
cas number: 68989-27-5
pubchem: 6560
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
iupac name: 2-Methylpropan-1-ol @en
is referenced by: LUC IV 009
type: ChemicalSubstance
is referenced by: LUC IV 000
notation: 2C1yC3ol
type: Concept
alternative label: 2-methylpropanol (iso-butanol)
inchi: InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
broader: CHEMONTID_0000286
formula: C4H10O
is referenced by: LUC IV 012
cas number: 78-83-1
smiles: CC(C)CO

3,3'-dimethylbenzidine
iupac name: 4-(4-amino-3-methylphenyl)-2-methylaniline @en
notation: 33DC1ybzdne
type: Concept
smiles: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
type: ChemicalSubstance
type: ChemicalCompound
formula: C14H16N2
cas number: 119-93-7
inchikey: NUIURNJTPRWVAP-UHFFFAOYSA-N
pubchem: 8413
broader: CHEMONTID_0003956
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
in scheme: Conceptschema Chemische Stoffen

climbazole
type: Concept
type: ChemicalCompound
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
inchikey: OWEGWHBOCFMBLP-UHFFFAOYSA-N
cas number: 38083-17-9
broader: CHEMONTID_0002341
pubchem: 37907
type: ChemicalSubstance
notation: climbzle
formula: C15H17ClN2O2
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one @en

2,3-dichloorfenylisocyanaat
pubchem: 33050
iupac name: 1,2-Dichloro-3-isocyanatobenzene @en
formula: C7H3Cl2NO
type: ChemicalSubstance
inchi: InChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0002564
smiles: C1=CC(=C(C(=C1)Cl)Cl)N=C=O
cas number: 41195-90-8
notation: 23DClFyiCN
inchikey: FYWJWWMKCARWQG-UHFFFAOYSA-N
type: Concept
cas number: 25550-53-2

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

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

benzylbutylftalaat
inchikey: IRIAEXORFWYRCZ-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate @en
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001350
alternative label: butylbenzylftalaat
cas number: 58128-78-2
pubchem: 2347
in scheme: Conceptschema Chemische Stoffen
notation: benzC4yFt
cas number: 85-68-7
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
formula: C19H20O4
smiles: CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

aclonifen
type: ChemicalSubstance
smiles: C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl
cas number: 74070-46-5
broader: CHEMONTID_0004155
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
type: ChemicalCompound
type: Concept
pubchem: 92389
formula: C12H9ClN2O3
in scheme: Conceptschema Chemische Stoffen
inchikey: DDBMQDADIHOWIC-UHFFFAOYSA-N
iupac name: 2-chloro-6-nitro-3-(phenoxy)aniline @en
notation: acnfn

ethyldipropylthiocarbamaat
smiles: CCCN(CCC)C(=O)SCC
in scheme: Conceptschema Chemische Stoffen
notation: EPTC
inchikey: GUVLYNGULCJVDO-UHFFFAOYSA-N
cas number: 759-94-4
pubchem: 12968
inchi: InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3
type: ChemicalCompound
formula: C9H19NOS
type: ChemicalSubstance
broader: CHEMONTID_0001368
type: Concept
iupac name: S-ethyl (dipropylamino)methanethioate @en

isopropylanthranilamide
smiles: CC(C)NC(=O)C1=CC=CC=C1N
iupac name: 2-amino-N-propan-2-ylbenzamide @en
pubchem: 94411
notation: iC3yantnlAd
formula: C10H14N2O
in scheme: Conceptschema Chemische Stoffen
cas number: 30391-89-0
inchikey: FWQYJOPJMIEKHZ-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
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)
broader: CHEMONTID_0004413

5-cholestene
type: ChemicalSubstance
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
type: ChemicalCompound
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
cas number: 570-74-1
type: Concept
pubchem: 11300
inchikey: DTGDZMYNKLTSKC-UHFFFAOYSA-N
formula: C27H46
broader: CHEMONTID_0003566
notation: 5choletne
in scheme: Conceptschema Chemische Stoffen

beflubutamide
pubchem: 6451159
notation: befbtAd
iupac name: 2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(phenylmethyl)butanamide @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004551
type: ChemicalCompound
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)
formula: C18H17F4NO2
cas number: 113614-08-7
inchikey: FFQPZWRNXKPNPX-UHFFFAOYSA-N
type: Concept

benzoylchloride
formula: C7H5ClO
type: ChemicalSubstance
notation: benzyCl
cas number: 98-88-4
type: ChemicalCompound
inchikey: PASDCCFISLVPSO-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
broader: CHEMONTID_0000176
iupac name: BENZOYL CHLORIDE @en
pubchem: 7412
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)C(=O)Cl

cis-4,7,10,13,16,19-docosahexaeenzuur
type: ChemicalCompound
notation: cC22aHxzr
iupac name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid @en
cas number: 6217-54-5
type: Concept
pubchem: 445580
formula: C22H32O2
smiles: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
type: ChemicalSubstance
cas number: 25377-50-8
inchikey: MBMBGCFOFBJSGT-KUBAVDMBSA-N
broader: CHEMONTID_0002950
in scheme: Conceptschema Chemische Stoffen

4,4'-diaminostilbeen-2,2'-disulfonzuur
pubchem: 5284378
in scheme: Conceptschema Chemische Stoffen
cas number: 65941-98-2
notation: 44DAosb22Dsf
type: Concept
cas number: 81-11-8
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0004785
inchikey: REJHVSOVQBJEBF-OWOJBTEDSA-N
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
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+

dimethylftalaat
iupac name: dimethyl benzene-1,2-dicarboxylate @en
cas number: 131-11-3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001350
smiles: COC(=O)C1=CC=CC=C1C(=O)OC
notation: DC1yFt
formula: C10H10O4
inchikey: NIQCNGHVCWTJSM-UHFFFAOYSA-N
cas number: 64441-70-9
pubchem: 8554
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3

1-pentaanthiol
in scheme: Conceptschema Chemische Stoffen
iupac name: pentane-1-thiol @en
type: ChemicalCompound
broader: CHEMONTID_0001212
formula: C5H12S
notation: 1C5atol
inchikey: ZRKMQKLGEQPLNS-UHFFFAOYSA-N
pubchem: 8067
inchi: InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
cas number: 110-66-7
type: Concept
smiles: CCCCCS
type: ChemicalSubstance

1-(3-chloorallyl)-3,5,7-triaza-1-azoniaadamantaanchloride
broader: CHEMONTID_0002798
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride @en
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+;
cas number: 60789-82-4
cas number: 4080-31-3
pubchem: 6433396
notation: 13Clal357Taz
inchikey: UKHVLWKBNNSRRR-TYYBGVCCSA-M
formula: C9H16Cl2N4
smiles: C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-]
cas number: 103638-29-5
type: ChemicalCompound
type: ChemicalSubstance

perfluoroctaansulfonaat, kaliumzout
type: ChemicalCompound
pubchem: 76041
inchikey: WFRUBUQWJYMMRQ-UHFFFAOYSA-M
formula: C8F17KO3S
cas number: 117925-64-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003960
cas number: 2795-39-3
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
type: ChemicalSubstance
cas number: 59112-13-9
notation: PFOS_K
cas number: 62010-27-9
type: Concept
cas number: 69458-54-4
iupac name: potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate @en

undecylbenzoaat
pubchem: 229159
type: Concept
iupac name: Undecyl benzoate @en
notation: C11ybzat
broader: CHEMONTID_0001350
formula: C18H28O2
smiles: CCCCCCCCCCCOC(=O)C1=CC=CC=C1
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: YEHGKFOTJWYCBN-UHFFFAOYSA-N
cas number: 6316-30-9
type: ChemicalCompound

benzo(ghi)fluorantheen
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: YEIHPPOCKIHUQJ-UHFFFAOYSA-N
broader: CHEMONTID_0000025
type: ChemicalSubstance
cas number: 203-12-3
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
formula: C18H10
notation: BghiF
type: Concept

sulfurylfluoride
pubchem: 17607
inchi: InChI=1S/F2O2S/c1-5(2,3)4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: OBTWBSRJZRCYQV-UHFFFAOYSA-N
cas number: 2699-79-8
type: ChemicalSubstance
broader: CHEMONTID_0000550
type: Concept
iupac name: Sulfuryl difluoride @en
smiles: O=S(=O)(F)F
notation: sulfrF
formula: F2O2S

N-methylperfluoroctaansulfonamido-azijnzuur
inchikey: QNDHIRFIMVNHBN-UHFFFAOYSA-N
notation: MePFOSAA
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 2355-31-9
type: ChemicalSubstance
broader: CHEMONTID_0003960
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)
pubchem: 22286931
formula: C11H6F17NO4S
notation: NmeFOSAA
type: Concept
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

tetraethyleenpentamine
pubchem: 8197
type: ChemicalCompound
cas number: 112-57-2
cas number: 115254-44-9
notation: T4C2yePeAe
type: Concept
iupac name: N'-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine @en
in scheme: Conceptschema Chemische Stoffen
formula: C8H23N5
type: ChemicalSubstance
smiles: C(CNCCNCCNCCN)N
inchi: InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
inchikey: FAGUFWYHJQFNRV-UHFFFAOYSA-N
broader: CHEMONTID_0002228

2,6-dichloorbifenyl
pubchem: 36342
inchikey: IYZWUWBAFUBNCH-UHFFFAOYSA-N
notation: PCB10
type: ChemicalSubstance
iupac name: 1,3-dichloro-2-phenylbenzene @en
type: Concept
cas number: 33146-45-1
smiles: C1=CC=C(C=C1)C2=C(C=CC=C2Cl)Cl
inchi: InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H
formula: C12H8Cl2
type: ChemicalCompound
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen

2-propyl-1-heptanol
broader: CHEMONTID_0001334
cas number: 10042-59-8
type: ChemicalCompound
pubchem: 24847
formula: C10H22O
smiles: CCCCCC(CCC)CO
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: YLQLIQIAXYRMDL-UHFFFAOYSA-N
notation: 2C3y1C7ol
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
type: ChemicalSubstance

11-decyltetracosaan
type: ChemicalSubstance
cas number: 55429-84-0
inchikey: BVMGLUHWZZEDRX-UHFFFAOYSA-N
broader: CHEMONTID_0004620
notation: 11C10yC24a
iupac name: 11-decyltetracosane @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
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
pubchem: 294707
smiles: CCCCCCCCCCCCCC(CCCCCCCCCC)CCCCCCCCCC
formula: C34H70

4,4'-methyleendifenyldiisocyanaat
type: ChemicalCompound
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: 77090-48-3
cas number: 26447-40-5
cas number: 142690-07-1
notation: 44C1yeDFyDiC
type: Concept
type: ChemicalSubstance
cas number: 101-68-8
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
cas number: 201528-77-0
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
pubchem: 7570
iupac name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene @en
smiles: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
formula: C15H10N2O2
cas number: 57460-66-9
cas number: 88001-94-9
cas number: 53633-14-0
cas number: 153986-89-1
inchikey: UPMLOUAZCHDJJD-UHFFFAOYSA-N
cas number: 28515-38-0

alachloorethaansulfonzuur
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)
in scheme: Conceptschema Chemische Stoffen
notation: alClC2asfz
broader: CHEMONTID_0000285
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2-[(2,6-diethylphenyl)-(methoxymethyl)amino]-2-oxoethanesulfonic acid @en
cas number: 142363-53-9
formula: C14H21NO5S
pubchem: 115236
type: Concept
inchikey: UTCJUUGCHWHUNI-UHFFFAOYSA-N

2-(2-(2-butoxyethoxy)ethoxy)ethanol
type: ChemicalSubstance
smiles: CCCCOCCOCCOCCO
notation: 222C4oxC2oxC
inchi: InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-[2-(2-Butoxyethoxy)ethoxy]ethanol @en
inchikey: COBPKKZHLDDMTB-UHFFFAOYSA-N
formula: C10H22O4
cas number: 143-22-6
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003338
pubchem: 8923

desmetryn
smiles: CC(C)NC1=NC(=NC(=N1)NC)SC
notation: desmtn
broader: CHEMONTID_0004735
inchikey: HCRWJJJUKUVORR-UHFFFAOYSA-N
type: Concept
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)
type: ChemicalCompound
pubchem: 13904
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C8H15N5S
cas number: 1014-69-3
iupac name: N'-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en

maleinehydrazide
smiles: C1=CC(=O)NNC1=O
cas number: 92335-53-0
type: Concept
cas number: 5425-79-6
formula: C4H4N2O2
iupac name: 1,2-Dihydropyridazine-3,6-dione @en
broader: CHEMONTID_0000208
type: ChemicalSubstance
type: ChemicalCompound
notation: malinhdzde
inchi: InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)
cas number: 123-33-1
cas number: 10071-13-3
inchikey: BGRDGMRNKXEXQD-UHFFFAOYSA-N
pubchem: 21954
cas number: 48100-18-1
in scheme: Conceptschema Chemische Stoffen
cas number: 220787-04-2
cas number: 66988-32-7

chloorethaan
inchikey: HRYZWHHZPQKTII-UHFFFAOYSA-N
cas number: 68411-72-3
cas number: 16520-13-1
cas number: 68583-57-3
formula: C2H5Cl
type: ChemicalCompound
inchi: InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
type: Concept
type: ChemicalSubstance
cas number: 75-00-3
notation: ClC2a
iupac name: Chloroethane @en
in scheme: Conceptschema Chemische Stoffen
smiles: CCCl
broader: CHEMONTID_0001516
pubchem: 6337
cas number: 68909-11-5

2,2,5,5,-tetramethyl-tetrahydrofuran
formula: C8H16O
cas number: 15045-43-9
type: ChemicalCompound
type: ChemicalSubstance
notation: 2255T4C4yT4H
broader: CHEMONTID_0002648
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 27010
iupac name: 2,2,5,5-tetramethyloxolane @en
inchi: InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3
inchikey: BBLDTXFLAHKYFJ-UHFFFAOYSA-N
smiles: CC1(CCC(O1)(C)C)C

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

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

flucloxacilline
notation: flucaclne
cas number: 5250-39-5
type: ChemicalSubstance
broader: CHEMONTID_0004830
inchikey: UIOFUWFRIANQPC-JKIFEVAISA-N
formula: C19H17ClFN3O5S
type: ChemicalCompound
type: Concept
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
in scheme: Conceptschema Chemische Stoffen

1,2,3,7,8-pentachloordibenzodioxine (pecdd)
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
type: Concept
type: ChemicalSubstance
formula: C12H3Cl5O2
in scheme: Conceptschema Chemische Stoffen
notation: PCDD54
comment: VLAR II+ bijlagen
alternative label: 1,2,3,7,8-pentachloordibenzodioxine
is referenced by: LUC VI 002
iupac name: 1,2,3,7,8-pentachlorooxanthrene @en
inchikey: FSPZPQQWDODWAU-UHFFFAOYSA-N
alternative label: 1,2,3,7,8-pentachloordibenzo-p-dioxine
alternative label: 1,2,3,7,8-pentachloordibenzo-para-dioxine
broader: CHEMONTID_0000420
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
type: ChemicalCompound
pubchem: 38439
cas number: 40321-76-4

fenoxaprop-ethyl
cas number: 82110-72-3
formula: C18H16ClNO5
iupac name: ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate @en
type: ChemicalSubstance
broader: CHEMONTID_0004677
pubchem: 47938
inchikey: PQKBPHSEKWERTG-UHFFFAOYSA-N
type: ChemicalCompound
notation: fenOapC2y
cas number: 87714-45-2
cas number: 66441-23-4
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
type: Concept
in scheme: Conceptschema Chemische Stoffen

(1-butyloctyl)-benzeen
formula: C18H30
broader: CHEMONTID_0002279
notation: 1C4yC8yBen
pubchem: 17630
type: ChemicalSubstance
cas number: 2719-63-3
type: ChemicalCompound
smiles: CCCCCCCC(CCCC)C1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
inchikey: NPAWGLOPXKCTCV-UHFFFAOYSA-N
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
type: Concept

natriumcarbonaat
pubchem: 10340
inchi: InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
cas number: 1332-57-6
cas number: 497-19-8
type: ChemicalSubstance
formula: CNa2O3
broader: CHEMONTID_0001521
iupac name: Disodium carbonate @en
smiles: C(=O)([O-])[O-].[Na+].[Na+]
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: CDBYLPFSWZWCQE-UHFFFAOYSA-L
notation: Na2CO3

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

ioxynil octanoaat
pubchem: 19730
type: Concept
broader: CHEMONTID_0002319
inchikey: QBEXFUOWUYCXNI-UHFFFAOYSA-N
formula: C15H17I2NO2
notation: ioxnOcnat
type: ChemicalSubstance
cas number: 3861-47-0
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I
iupac name: (4-cyano-2,6-diiodophenyl) octanoate @en
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

germanium
broader: CHEMONTID_0000431
cas number: 129827-75-4
inchikey: GNPVGFCGXDBREM-UHFFFAOYSA-N
formula: Ge
type: ChemicalCompound
inchi: InChI=1S/Ge
type: ChemicalSubstance
pubchem: 6326954
notation: Ge
smiles: [Ge]
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: GERMANIUM @en
cas number: 7440-56-4

butocarboximsulfon
type: Concept
type: ChemicalSubstance
cas number: 34681-23-7
inchikey: CTJBHIROCMPUKL-WEVVVXLNSA-N
broader: CHEMONTID_0000505
notation: butcbOxmsfn
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+
type: ChemicalCompound
iupac name: (3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate @en
smiles: CC(C(=NOC(=O)NC)C)S(=O)(=O)C
pubchem: 9571009
in scheme: Conceptschema Chemische Stoffen
formula: C7H14N2O4S

3-broomanisol
cas number: 2398-37-0
formula: C7H7BrO
in scheme: Conceptschema Chemische Stoffen
smiles: COC1=CC(=CC=C1)Br
broader: CHEMONTID_0000138
pubchem: 16971
iupac name: 1-Bromo-3-methoxybenzene @en
inchi: InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
type: ChemicalCompound
notation: 3Bransl
type: Concept
type: ChemicalSubstance
inchikey: PLDWAJLZAAHOGG-UHFFFAOYSA-N

broommethaan
iupac name: Bromomethane @en
pubchem: 6323
inchi: InChI=1S/CH3Br/c1-2/h1H3
in scheme: Conceptschema Chemische Stoffen
notation: BrC1a
type: Concept
inchikey: GZUXJHMPEANEGY-UHFFFAOYSA-N
smiles: CBr
cas number: 74-83-9
type: ChemicalSubstance
broader: CHEMONTID_0004157
formula: CH3Br
type: ChemicalCompound

2,2',3,5',6-pentachloorbifenyl
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
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
inchikey: GXNNLIMMEXHBKV-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 38379-99-6
broader: CHEMONTID_0003030
notation: PCB95
pubchem: 38012

doxorubicine
pubchem: 31703
in scheme: Conceptschema Chemische Stoffen
cas number: 23214-92-8
cas number: 23257-17-2
cas number: 29042-30-6
notation: doxrbcne
type: ChemicalCompound
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
broader: CHEMONTID_0002106
inchikey: AOJJSUZBOXZQNB-TZSSRYMLSA-N
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
cas number: 25311-50-6
type: Concept
cas number: 24385-08-8
formula: C27H29NO11
type: ChemicalSubstance

2,3,4,7,8-pentachloordibenzofuraan
type: ChemicalSubstance
cas number: 57117-31-4
pubchem: 42128
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003029
alternative label: 2,3,4,7,8-pentachloordibenzofuraan (pecdf)
notation: PCDF114
iupac name: 2,3,4,7,8-PENTACHLORODIBENZOFURAN @en
is referenced by: LUC VI 002
formula: C12H3Cl5O
type: Concept
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
inchikey: OGBQILNBLMPPDP-UHFFFAOYSA-N
comment: VLAR II+ bijlagen
type: ChemicalCompound
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
alternative label: 2,3,4,7,8-pentachloordibenzofuran

acesulfame k
notation: acsfm
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
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
smiles: CC1=CC(=O)N=S(=O)(O1)[O-].[K+]
formula: C4H4KNO4S
inchikey: JLEKLYQXZHJOTQ-UHFFFAOYSA-M
cas number: 55589-62-3
alternative label: acesulfaam
broader: CHEMONTID_0000265
cas number: 33665-90-6
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
type: ChemicalCompound
notation: acsfmeK
alternative label: acesulfame K

hexachloorfeen
cas number: 8054-98-6
broader: CHEMONTID_0000369
type: ChemicalCompound
iupac name: 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol @en
pubchem: 3598
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
cas number: 139411-96-4
inchikey: ACGUYXCXAPNIKK-UHFFFAOYSA-N
cas number: 70-30-4
notation: HxClfn
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

methyl-metsulfuron
inchikey: RSMUVYRMZCOLBH-UHFFFAOYSA-N
cas number: 74223-64-6
in scheme: Conceptschema Chemische Stoffen
formula: C14H15N5O6S
cas number: 82197-07-7
notation: C1ymsfrn
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001350
pubchem: 52999
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

cinosulfuron
notation: cinsfrn
formula: C15H19N5O7S
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
inchikey: WMLPCIHUFDKWJU-UHFFFAOYSA-N
cas number: 94593-91-6
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
broader: CHEMONTID_0000031
type: Concept

diclazuril
notation: diczrl
type: ChemicalSubstance
formula: C17H9Cl3N4O2
type: ChemicalCompound
pubchem: 456389
inchikey: ZSZFUDFOPOMEET-UHFFFAOYSA-N
iupac name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile @en
broader: CHEMONTID_0001527
in scheme: Conceptschema Chemische Stoffen
cas number: 101831-37-2
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)
type: Concept

ortho-xyleen
iupac name: 1,2-Dimethylbenzene @en
type: ChemicalSubstance
type: Concept
alternative label: 1,2-Dimethylbenzeen
smiles: CC1=CC=CC=C1C
is referenced by: LUC IV 000
comment: VLAR II bijl. 4.4.2 'xylenen'
is referenced by: LUC IV 001
cas number: 95-47-6
notation: 12xyln
inchikey: CTQNGGLPUBDAKN-UHFFFAOYSA-N
formula: C8H10
alternative label: 1,2-xyleen
type: ChemicalCompound
alternative label: o-xyleen
is referenced by: LUC IV 011
cas number: 68411-84-7
broader: CHEMONTID_0004210
inchi: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
pubchem: 7237
in scheme: Conceptschema Chemische Stoffen

chloorpropylaat
broader: CHEMONTID_0000369
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
notation: ClC3yat
formula: C17H16Cl2O3
iupac name: propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate @en
cas number: 5836-10-2
type: Concept
inchikey: AXGUBXVWZBFQGA-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 22094
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

acrylaldehyde
broader: CHEMONTID_0002436
cas number: 107-02-8
in scheme: Conceptschema Chemische Stoffen
smiles: C=CC=O
iupac name: prop-2-enal @en
type: ChemicalCompound
alternative label: acroleïne
notation: acAh
cas number: 25068-14-8
type: ChemicalSubstance
cas number: 25314-61-8
pubchem: 7847
inchi: InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
inchikey: HGINCPLSRVDWNT-UHFFFAOYSA-N
formula: C3H4O
type: Concept

titaantetrachloride
type: ChemicalSubstance
cas number: 11130-18-0
type: Concept
iupac name: ['titanium(+4) cation tetrachloride', 'Tetrachlorotitanium'] @en
type: ChemicalCompound
cas number: 7550-45-0
inchi: InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4
formula: Cl4Ti
notation: TiT4Cl
pubchem: 24193
cas number: 44246-22-2
cas number: 15612-71-2
broader: CHEMONTID_0000588
inchikey: XJDNKRIXUMDJCW-UHFFFAOYSA-J
cas number: 7705-07-9
in scheme: Conceptschema Chemische Stoffen
smiles: Cl[Ti](Cl)(Cl)Cl

levonorgestrel
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C21H28O2
cas number: 6533-00-2
cas number: 797-62-6
cas number: 4222-79-1
broader: CHEMONTID_0003570
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
type: Concept
cas number: 121714-72-5
notation: levngsl
inchikey: WWYNJERNGUHSAO-XUDSTZEESA-N
cas number: 797-63-7
smiles: CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
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
pubchem: 13109

europium 155
iupac name: europium-155 @en
type: ChemicalCompound
broader: CHEMONTID_0000429
inchikey: OGPBJKLSAFTDLK-AKLPVKDBSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: Eu155
type: ChemicalSubstance
smiles: [Eu]
formula: Eu
inchi: InChI=1S/Eu/i1+3
cas number: 14391-16-3
pubchem: 105088

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

sulfinol d
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0000233
pubchem: 190009
type: ChemicalSubstance
type: Concept
iupac name: 1-(2-hydroxypropylamino)propan-2-ol; thiolane 1,1-dioxide; hydrate @en
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
notation: sulfnD
inchikey: JCVAWLVWQDNEGS-UHFFFAOYSA-N
alternative label: sulfinol D
smiles: CC(CNCC(C)O)O.C1CCS(=O)(=O)C1.O
cas number: 63665-16-7
formula: C10H25NO5S

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

thiacloprid
formula: C10H9ClN4S
type: ChemicalSubstance
broader: CHEMONTID_0004532
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
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
type: Concept
notation: thiacpd
type: ChemicalCompound
cas number: 111988-49-9
inchikey: HOKKPVIRMVDYPB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

clofibraat
notation: clofbt
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
type: ChemicalCompound
type: ChemicalSubstance
iupac name: Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate @en
smiles: CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
cas number: 637-07-0
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000417
pubchem: 2796
type: Concept
inchikey: KNHUKKLJHYUCFP-UHFFFAOYSA-N

dibroommethaan
pubchem: 3024
broader: CHEMONTID_0004157
cas number: 74-95-3
formula: CH2Br2
smiles: C(Br)Br
cas number: 4371-77-1
type: Concept
iupac name: Dibromomethane @en
inchikey: FJBFPHVGVWTDIP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: DBrC1a
type: ChemicalSubstance
inchi: InChI=1S/CH2Br2/c2-1-3/h1H2
type: ChemicalCompound

warfarin
type: ChemicalSubstance
cas number: 81-81-2
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
type: ChemicalCompound
pubchem: 6691
inchikey: QTXVAVXCBMYBJW-UHFFFAOYSA-N
type: Concept
iupac name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one @en
cas number: 56573-89-8
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001633
formula: C19H16O4
notation: warfrn
cas number: 5543-56-6
cas number: 5543-57-7

chloorbromuron
type: ChemicalCompound
smiles: CN(C(=O)NC1=CC(=C(C=C1)Br)Cl)OC
broader: CHEMONTID_0001935
inchikey: NLYNUTMZTCLNOO-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 13360-45-7
pubchem: 25912
formula: C9H10BrClN2O2
notation: Clbmrn
iupac name: 3-(4-Bromo-3-chlorophenyl)-1-methoxy-1-methylurea @en

thiamfenicol
iupac name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide @en
pubchem: 27200
cas number: 15318-45-3
cas number: 90-91-5
cas number: 32430-04-9
cas number: 3785-14-6
type: Concept
inchikey: OTVAEFIXJLOWRX-NXEZZACHSA-N
broader: CHEMONTID_0004233
type: ChemicalCompound
cas number: 14786-51-7
type: ChemicalSubstance
formula: C12H15Cl2NO5S
in scheme: Conceptschema Chemische Stoffen

broompyrolaat
type: ChemicalCompound
type: Concept
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
broader: CHEMONTID_0002279
inchikey: VPNYRYCIDCJBOM-UHFFFAOYSA-M
alternative label: pyrolaat
type: ChemicalSubstance
iupac name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide @en
notation: pyrlt
notation: Brprlt
formula: C19H28BrNO3
pubchem: 11693
cas number: 596-51-0
cas number: 53808-86-9
in scheme: Conceptschema Chemische Stoffen

carvon
notation: carvn
iupac name: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one @en
type: Concept
type: ChemicalSubstance
formula: C10H14O
in scheme: Conceptschema Chemische Stoffen
pubchem: 7439
inchikey: ULDHMXUKGWMISQ-UHFFFAOYSA-N
cas number: 99-49-0
type: ChemicalCompound
smiles: CC1=CCC(CC1=O)C(=C)C
broader: CHEMONTID_0001401
cas number: 22327-39-5
inchi: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3

fenoxycarb
type: ChemicalSubstance
cas number: 79127-80-3
inchikey: HJUFTIJOISQSKQ-UHFFFAOYSA-N
notation: fenOxcb
cas number: 72490-01-8
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004155
type: Concept
smiles: CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2
pubchem: 51605
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)
type: ChemicalCompound
iupac name: ethyl N-[2-[4-(phenoxy)phenoxy]ethyl]carbamate @en

oseltamivir
type: ChemicalSubstance
inchikey: VSZGPKBBMSAYNT-RRFJBIMHSA-N
type: Concept
cas number: 196618-13-0
pubchem: 65028
iupac name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate @en
smiles: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC
in scheme: Conceptschema Chemische Stoffen
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
notation: ostmvr
type: ChemicalCompound
broader: CHEMONTID_0001880
formula: C16H28N2O4

mestranol
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
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
inchikey: IMSSROKUHAOUJS-MJCUULBUSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0001466
formula: C21H26O2
cas number: 43085-54-7
type: Concept
cas number: 72-33-3
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
notation: mesnl
pubchem: 6291
cas number: 53445-46-8
type: ChemicalSubstance

metoprololtartraat
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
cas number: 71307-49-8
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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
broader: CHEMONTID_0000139
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
type: ChemicalCompound
pubchem: 441308
type: Concept
cas number: 55250-54-9
cas number: 60168-92-5
cas number: 74220-04-5
cas number: 56392-17-7
formula: C34H56N2O12

antimoon
is referenced by: LUC III 010
smiles: [Sb]#[Sb]
broader: CHEMONTID_0000431
alternative label: Antimoon (Sb)
notation: Sb
type: Concept
pubchem: 23967
inchi: InChI=1S/2Sb
is referenced by: LUC I 002
in scheme: Conceptschema Chemische Stoffen
cas number: 7440-36-0
inchikey: WUOBERCRSABHOT-UHFFFAOYSA-N
definition: antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)
iupac name: stibanylidynestibane @en
formula: Sb2
comment: VLAR III (D3, diverse art) 'Sb'
comment: VLAR III (D3) 'antimoon'
cas number: 73063-67-9
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'
type: ChemicalCompound
type: ChemicalSubstance
cas number: 117011-47-9
comment: VLAR III (D3) 'antimoon en antimoonverbindingen, uitgedrukt in Antimoon (Sb)'

demeton-o-methyl
formula: C6H15O3PS2
pubchem: 13346
type: ChemicalCompound
type: ChemicalSubstance
inchikey: ZVZQKNVMDKSGGF-UHFFFAOYSA-N
cas number: 867-27-6
smiles: CCSCCOP(=S)(OC)OC
inchi: InChI=1S/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3
type: Concept
broader: CHEMONTID_0003384
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-ethylsulfanylethoxy-dimethoxy-sulfanylidenephosphorane @en

emamectin
cas number: 119791-41-2
pubchem: 6440017
broader: CHEMONTID_0000147
formula: C97H146O26
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
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: WQYWHGOKYSMVFW-ZOKDRQBOSA-N
type: ChemicalSubstance
type: Concept
notation: emmtn

coumatetralyl
inchikey: KIGBUEKEZHTCDR-UHFFFAOYSA-N
type: Concept
formula: C19H16O3
broader: CHEMONTID_0000145
pubchem: 22095
notation: coumttll
cas number: 5836-29-3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: 2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one @en
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
type: ChemicalCompound

5-chloor-2-methyl-2H-isothiazool-3-on
cas number: 26172-55-4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001030
notation: 5Cl2C1y2Hita
formula: C4H5Cl2NOS
pubchem: 117809
cas number: 26530-03-0
smiles: CN1C(=O)C=C(S1)Cl.Cl
type: ChemicalSubstance
cas number: 116680-96-7
type: ChemicalCompound
inchi: InChI=1S/C4H4ClNOS.ClH/c1-6-4(7)2-3(5)8-6;/h2H,1H3;1H
type: Concept
iupac name: 5-chloro-2-methyl-1,2-thiazol-3-one hydrochloride @en
inchikey: RGVYUPIYFIVQDS-UHFFFAOYSA-N
alternative label: 5-chloor-2-methyl-2h-isothiazool-3-on

2,2',3,3',4,5,6'-heptachloorbifenyl
type: ChemicalSubstance
notation: PCB174
type: Concept
iupac name: 1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenyl)benzene @en
broader: CHEMONTID_0003030
inchikey: ZDLMBNHYTPHDLF-UHFFFAOYSA-N
cas number: 38411-25-5
in scheme: Conceptschema Chemische Stoffen
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
formula: C12H3Cl7
type: ChemicalCompound
pubchem: 38025

fenmedifam
inchikey: IDOWTHOLJBTAFI-UHFFFAOYSA-N
notation: fenmdfm
formula: C16H16N2O4
pubchem: 24744
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13684-63-4
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)
broader: CHEMONTID_0004714
in scheme: Conceptschema Chemische Stoffen
iupac name: [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate @en
type: Concept

fonofos
type: ChemicalSubstance
notation: fonfs
broader: CHEMONTID_0002279
type: ChemicalCompound
type: Concept
iupac name: ethoxy-ethyl-phenylsulfanyl-sulfanylidenephosphorane @en
inchikey: KVGLBTYUCJYMND-UHFFFAOYSA-N
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
pubchem: 13676
cas number: 944-22-9
smiles: CCOP(=S)(CC)SC1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
cas number: 66767-39-3
formula: C10H15OPS2

fluazinam
type: Concept
notation: fluaznm
cas number: 79622-59-6
pubchem: 91731
type: ChemicalSubstance
formula: C13H4Cl2F6N4O4
cas number: 113015-31-9
in scheme: Conceptschema Chemische Stoffen
inchikey: UZCGKGPEKUCDTF-UHFFFAOYSA-N
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
iupac name: 3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine @en
type: ChemicalCompound
broader: CHEMONTID_0004551

methoprotryn
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)
type: Concept
broader: CHEMONTID_0004735
notation: metptn
smiles: CC(C)NC1=NC(=NC(=N1)NCCCOC)SC
pubchem: 13290
formula: C11H21N5OS
in scheme: Conceptschema Chemische Stoffen
inchikey: DDUIUBPJPOKOMV-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
iupac name: N'-(3-methoxypropyl)-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
cas number: 841-06-5

neburon
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)
notation: nebrn
type: ChemicalCompound
inchikey: CCGPUGMWYLICGL-UHFFFAOYSA-N
broader: CHEMONTID_0001935
type: Concept
type: ChemicalSubstance
smiles: CCCCN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
cas number: 555-37-3
pubchem: 11145
iupac name: 1-Butyl-3-(3,4-dichlorophenyl)-1-methylurea @en
in scheme: Conceptschema Chemische Stoffen
formula: C12H16Cl2N2O

isoforon
smiles: CC1=CC(=O)CC(C1)(C)C
formula: C9H14O
inchi: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
broader: CHEMONTID_0004325
type: ChemicalCompound
iupac name: 3,5,5-trimethylcyclohex-2-en-1-one @en
notation: ifrn
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 6544
inchikey: HJOVHMDZYOCNQW-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 78-59-1

maleïnezuur
formula: C4H4O4
cas number: 6915-18-0
smiles: C(=CC(=O)O)C(=O)O
inchikey: VZCYOOQTPOCHFL-OWOJBTEDSA-N
in scheme: Conceptschema Chemische Stoffen
notation: malinzr
broader: CHEMONTID_0000346
pubchem: 444972
type: Concept
cas number: 110-17-8
iupac name: But-2-enedioic acid @en
cas number: 623158-97-4
type: ChemicalSubstance
inchi: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
type: ChemicalCompound
cas number: 110-16-7

chloridazon (pyrazon)
alternative label: chloridazon
broader: CHEMONTID_0000208
in scheme: Conceptschema Chemische Stoffen
formula: C10H8ClN3O
type: Concept
inchikey: WYKYKTKDBLFHCY-UHFFFAOYSA-N
iupac name: 5-amino-4-chloro-2-phenylpyridazin-3-one @en
cas number: 1698-60-8
type: ChemicalSubstance
smiles: C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl
cas number: 58858-18-7
type: ChemicalCompound
notation: Clidzn
pubchem: 15546
inchi: InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2

C.I. Solvent Orange 7
alternative label: c.i. solvent orange 7
in scheme: Conceptschema Chemische Stoffen
inchikey: YPXOPAFVVHXQDP-ZZEZOPTASA-N
iupac name: ['1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one', '(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one'] @en
notation: cisoe7
cas number: 3118-97-6
pubchem: 5809936
type: ChemicalCompound
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-
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000023

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

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

heptachloor
in scheme: Conceptschema Chemische Stoffen
formula: C10H5Cl7
type: ChemicalSubstance
notation: HpCl
pubchem: 3589
cas number: 76-44-8
cas number: 37229-06-4
broader: CHEMONTID_0002863
inchikey: FRCCEHPWNOQAEU-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 23720-59-4
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
type: Concept
iupac name: 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene @en

arsenaat
inchikey: DJHGAFSJWGLOIV-UHFFFAOYSA-K
type: Concept
cas number: 25537-06-8
iupac name: arsorate @en
type: ChemicalCompound
inchi: InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3
smiles: [O-][As](=O)([O-])[O-]
pubchem: 27401
broader: CHEMONTID_0001474
cas number: 15584-04-0
in scheme: Conceptschema Chemische Stoffen
cas number: 11126-32-2
formula: AsO4-3
notation: AsO4
type: ChemicalSubstance

1-nonadeceen
iupac name: Nonadec-1-ene @en
type: ChemicalSubstance
broader: CHEMONTID_0004476
formula: C19H38
smiles: CCCCCCCCCCCCCCCCCC=C
type: Concept
cas number: 18435-45-5
cas number: 27400-77-7
pubchem: 29075
notation: 1C19e
inchikey: NHLUYCJZUXOUBX-UHFFFAOYSA-N
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

indeno(1,2,3-c,d)pyreen
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0001851
alternative label: indeno(1,2,3-cd)pyreen
cas number: 193-39-5
cas number: 348085-46-1
pubchem: 9131
comment: VLAR II (D2)
formula: C22H12
type: ChemicalCompound
type: ChemicalSubstance
notation: InP
inchikey: SXQBHARYMNFBPS-UHFFFAOYSA-N
alternative label: indeno(1,2,3-cd)pyreen (b)
type: Concept
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
is referenced by: LUC VI 001

4:2 fluortelomeersulfonzuur
pubchem: 20734543
cas number: 757124-72-4
in scheme: Conceptschema Chemische Stoffen
inchikey: TXGIGTRUEITPSC-UHFFFAOYSA-N
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)
formula: C6H5F9O3S
iupac name: 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonic acid @en
type: ChemicalCompound
notation: 4:2 FTS
type: ChemicalSubstance
broader: CHEMONTID_0001179
type: Concept

norflurazon
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
formula: C12H9ClF3N3O
cas number: 27314-13-2
broader: CHEMONTID_0004551
type: ChemicalSubstance
pubchem: 33775
iupac name: 4-chloro-5-methylamino-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: NVGOPFQZYCNLDU-UHFFFAOYSA-N
notation: norfrzn

2,2',4,4',5-pentabroomdifenylether (bde99)
alternative label: 2,2',4,4',5-pentabroomdifenylether
type: Concept
alternative label: bde 99
cas number: 32534-81-9
inchikey: WHPVYXDFIXRKLN-UHFFFAOYSA-N
alternative label: pentabroomdifenylether
in scheme: Conceptschema Chemische Stoffen
formula: C12H5Br5O
cas number: 60348-60-9
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001845
cas number: 132405-96-0
iupac name: 1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene @en
cas number: 134206-43-2
pubchem: 36159
notation: PBDE99
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

diethyleentriamine
cas number: 111-40-0
cas number: 54018-92-7
smiles: C(CNCCN)N
broader: CHEMONTID_0002228
cas number: 26915-78-6
cas number: 94700-17-1
cas number: 73989-30-7
inchikey: RPNUMPOLZDHAAY-UHFFFAOYSA-N
cas number: 8076-55-9
formula: C4H13N3
type: ChemicalSubstance
cas number: 53303-76-7
pubchem: 8111
iupac name: N-(2-aminoethyl)ethane-1,2-diamine @en
in scheme: Conceptschema Chemische Stoffen
notation: DC2yeTAe
cas number: 98824-35-2
type: Concept
inchi: InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
type: ChemicalCompound
cas number: 59135-90-9

7-aminoflunitrazepam
type: ChemicalCompound
formula: C16H14FN3O
in scheme: Conceptschema Chemische Stoffen
pubchem: 92294
cas number: 34084-50-9
broader: CHEMONTID_0004097
iupac name: 7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one @en
type: ChemicalSubstance
notation: 7Aofntzpm
inchikey: LTCDLGUFORGHGY-UHFFFAOYSA-N
type: Concept
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

quinomethionaat
cas number: 113535-72-1
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C10H6N2OS2
cas number: 2439-01-2
type: ChemicalCompound
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
broader: CHEMONTID_0000486
cas number: 85188-88-1
type: Concept
smiles: CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3
pubchem: 17109
notation: quinmtont
inchikey: FBQQHUGEACOBDN-UHFFFAOYSA-N

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

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

levamisol
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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
inchikey: LAZPBGZRMVRFKY-HNCPQSOCSA-N
cas number: 24593-45-1
cas number: 74191-78-9
cas number: 14769-73-4
formula: C11H13ClN2S
pubchem: 27944
notation: levmsl
type: Concept
iupac name: (6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride @en
broader: CHEMONTID_0000756
cas number: 39170-95-1
cas number: 16595-80-5
smiles: C1CSC2=NC(CN21)C3=CC=CC=C3.Cl

1,1,1-trichloortolueen
type: ChemicalSubstance
pubchem: 7367
formula: C7H5Cl3
cas number: 61878-57-7
cas number: 26601-65-0
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
cas number: 98-07-7
notation: 111TClTol
inchikey: XEMRAKSQROQPBR-UHFFFAOYSA-N
broader: CHEMONTID_0002279
cas number: 30583-33-6
iupac name: Trichloromethylbenzene @en
smiles: C1=CC=C(C=C1)C(Cl)(Cl)Cl

fenylhydrazine
broader: CHEMONTID_0000113
smiles: C1=CC=C(C=C1)NN.Cl
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 60962
type: Concept
inchi: InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H
cas number: 100-63-0
cas number: 27140-08-5
cas number: 59-88-1
inchikey: JOVOSQBPPZZESK-UHFFFAOYSA-N
formula: C6H9ClN2
type: ChemicalSubstance
iupac name: PHENYLHYDRAZINE HYDROCHLORIDE @en
notation: Fyhdzne

trioctyltin (kation)
broader: CHEMONTID_0004072
in scheme: Conceptschema Chemische Stoffen
notation: TC8ySn
type: Concept
type: ChemicalSubstance
formula: C24H51Sn
smiles: CCCCCCCC[Sn](CCCCCCCC)CCCCCCCC
pubchem: 5360423
inchikey: XMHKTINRBAKEDS-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 869-59-0
iupac name: Tri-n-octyltin Hydride @en
inchi: InChI=1S/3C8H17.Sn/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3;

fenazaquin
cas number: 120928-09-8
notation: fenzqn
iupac name: 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline @en
type: ChemicalCompound
broader: CHEMONTID_0000485
inchikey: DMYHGDXADUDKCQ-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C20H22N2O
pubchem: 86356
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

dinobuton
cas number: 62655-72-5
broader: CHEMONTID_0000036
formula: C14H18N2O7
iupac name: (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate @en
cas number: 61840-20-8
in scheme: Conceptschema Chemische Stoffen
inchikey: HDWLUGYOLUHEMN-UHFFFAOYSA-N
type: ChemicalSubstance
notation: Dnbtn
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
type: Concept
pubchem: 13783
cas number: 973-21-7
type: ChemicalCompound
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C

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

bifenazaat
cas number: 149877-41-8
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)
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C17H20N2O3
pubchem: 176879
inchikey: VHLKTXFWDRXILV-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0000041
notation: bifnzt
iupac name: propan-2-yl N-[(2-methoxy-5-phenylphenyl)amino]carbamate @en
type: Concept

hexazinon
cas number: 51235-04-2
iupac name: 3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4-dione @en
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
pubchem: 39965
type: ChemicalCompound
smiles: CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C
notation: Hxznn
type: Concept
formula: C12H20N4O2
type: ChemicalSubstance
inchikey: CAWXEEYDBZRFPE-UHFFFAOYSA-N
broader: CHEMONTID_0003901
in scheme: Conceptschema Chemische Stoffen

indaan
iupac name: 2,3-Dihydro-1H-indene @en
smiles: C1CC2=CC=CC=C2C1
inchi: InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
formula: C9H10
cas number: 496-11-7
cas number: 56573-11-6
broader: CHEMONTID_0000027
inchikey: PQNFLJBBNBOBRQ-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
notation: inda
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 10326

2,4-dichloor-6-nitroaniline
type: Concept
notation: 24DCl6NO2An
broader: CHEMONTID_0000036
smiles: C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)Cl
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 2,4-Dichloro-6-nitroaniline @en
formula: C6H4Cl2N2O2
inchikey: IZEZAMILKKYOPW-UHFFFAOYSA-N
pubchem: 75893
inchi: InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
cas number: 2683-43-4

1-methyl-2-(1-methylethyl)-benzeen (o-cymeen)
pubchem: 10703
inchikey: WWRCMNKATXZARA-UHFFFAOYSA-N
cas number: 25155-15-1
formula: C10H14
cas number: 52857-36-0
type: ChemicalCompound
inchi: InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
smiles: CC1=CC=CC=C1C(C)C
cas number: 527-84-4
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000355
cas number: 8023-69-6
iupac name: 1-methyl-2-propan-2-ylbenzene @en
notation: 1C1y21C1yC2y
in scheme: Conceptschema Chemische Stoffen
cas number: 1329-98-2
cas number: 40356-70-5

cefaclor
formula: C15H14ClN3O4S
type: ChemicalSubstance
inchikey: QYIYFLOTGYLRGG-GPCCPHFNSA-N
notation: cefcr
pubchem: 51039
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
broader: CHEMONTID_0001189
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 53994-73-3

p-terfenyl
inchikey: XJKSTNDFUHDPQJ-UHFFFAOYSA-N
cas number: 75831-65-1
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C18H14
broader: CHEMONTID_0002126
type: ChemicalSubstance
cas number: 26140-60-3
iupac name: 1,4-di(phenyl)benzene @en
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
type: ChemicalCompound
cas number: 92-94-4
cas number: 94363-13-0
notation: pTFy
pubchem: 7115
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3

kasugamycine
cas number: 6980-18-3
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
in scheme: Conceptschema Chemische Stoffen
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
inchikey: ZDRBJJNXJOSCLR-YZKQBBCCSA-N
type: Concept
broader: CHEMONTID_0001675
pubchem: 88045
cas number: 19408-46-9
type: ChemicalSubstance
notation: kasgmcne
type: ChemicalCompound

butafenacil
broader: CHEMONTID_0001350
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
formula: C20H18ClF3N2O6
pubchem: 11826859
cas number: 134605-64-4
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
type: Concept
notation: butfncl
inchikey: JEDYYFXHPAIBGR-UHFFFAOYSA-N

di-isohexylftalaat
formula: C20H30O4
cas number: 146-50-9
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 8970
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
inchikey: ALEROMXYYSQFLX-UHFFFAOYSA-N
smiles: CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C
type: Concept
alternative label: di-isohexylftalaat (mix van isomeren)
broader: CHEMONTID_0001350
cas number: 71850-09-4
cas number: 68515-50-4

2,2,6,6-tetrachloorcyclohexanon
type: Concept
pubchem: 77407
formula: C6H6Cl4O
type: ChemicalCompound
inchi: InChI=1S/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H2
cas number: 3776-30-5
in scheme: Conceptschema Chemische Stoffen
smiles: C1CC(C(=O)C(C1)(Cl)Cl)(Cl)Cl
iupac name: 2,2,6,6-Tetrachlorocyclohexan-1-one @en
notation: 2266T4ClccC6
broader: CHEMONTID_0004809
type: ChemicalSubstance
inchikey: QCAHVKJGHYVLIS-UHFFFAOYSA-N

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

ijzer (tweewaardig)
cas number: 15438-31-0
iupac name: iron(+2) cation @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: [Fe+2]
broader: CHEMONTID_0000426
formula: Fe+2
notation: FeII
type: ChemicalSubstance
inchikey: CWYNVVGOOAEACU-UHFFFAOYSA-N
pubchem: 27284
inchi: InChI=1S/Fe/q+2
type: Concept

propaquizafop
type: Concept
pubchem: 86122
broader: CHEMONTID_0004677
type: ChemicalSubstance
formula: C22H22ClN3O5
notation: propqzfp
iupac name: 2-(propan-2-ylideneamino)oxyethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate @en
cas number: 111479-05-1
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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
inchikey: FROBCXTULYFHEJ-UHFFFAOYSA-N

methcathinon
smiles: CC(C(=O)C1=CC=CC=C1)NC
broader: CHEMONTID_0004298
pubchem: 1576
iupac name: 2-methylamino-1-phenylpropan-1-one @en
notation: metcinn
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
formula: C10H13NO
type: Concept
cas number: 28521-94-0
inchikey: LPLLVINFLBSFRP-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 5650-44-2

1,2,3,4,7,9-hexachloordibenzofuraan
notation: PCDF119
iupac name: 1,2,3,4,7,9-HEXACHLORODIBENZOFURAN @en
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
broader: CHEMONTID_0003029
type: ChemicalCompound
pubchem: 56262
cas number: 91538-84-0
type: Concept
inchikey: BKIXWRBZCQEZAQ-UHFFFAOYSA-N

promethium
notation: Pm
pubchem: 23944
inchikey: VQMWBBYLQSCNPO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: Pm
iupac name: PROMETHIUM @en
type: Concept
cas number: 22541-16-8
type: ChemicalCompound
broader: CHEMONTID_0000429
smiles: [Pm]
type: ChemicalSubstance
cas number: 7440-12-2
inchi: InChI=1S/Pm

1,2,3,4,6,7,8,9-octachloordibenzofuraan
alternative label: octachloordibenzofuraan
type: Concept
formula: C12Cl8O
alternative label: octachloordibenzofuraan (ocdf)
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
comment: VLAR II+ bijlagen
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
notation: PCDF135
iupac name: 1,2,3,4,6,7,8,9-Octachlorodibenzofuran @en
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
alternative label: octachloordibenzofuran
cas number: 39001-02-0
pubchem: 38200
inchikey: RHIROFAGUQOFLU-UHFFFAOYSA-N
type: ChemicalSubstance
is referenced by: LUC VI 002

budesonide
inchikey: VOVIALXJUBGFJZ-VXKMTNQYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 51333-22-3
notation: budsnde
broader: CHEMONTID_0003095
formula: C25H34O6
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
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
cas number: 51372-29-3
type: ChemicalCompound
type: Concept
pubchem: 40000
type: ChemicalSubstance

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

chlooracetonitril
broader: CHEMONTID_0000362
type: ChemicalSubstance
smiles: C(C#N)Cl
cas number: 107-14-2
iupac name: 2-Chloroacetonitrile @en
formula: C2H2ClN
inchi: InChI=1S/C2H2ClN/c3-1-2-4/h1H2
in scheme: Conceptschema Chemische Stoffen
inchikey: RENMDAKOXSCIGH-UHFFFAOYSA-N
cas number: 1867-10-3
notation: Clactntl
type: Concept
type: ChemicalCompound
pubchem: 7856

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

n-acetyl-3,4-methyleendioxyamfetamine
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)
inchikey: RSXXYTIHSOOFBG-UHFFFAOYSA-N
pubchem: 297310
notation: Nact34C1yeDO
in scheme: Conceptschema Chemische Stoffen
alternative label: N-acetyl-3,4-methyleendioxyamfetamine
formula: C12H15NO3
iupac name: N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]acetamide @en
smiles: CC(CC1=CC2=C(C=C1)OCO2)NC(=O)C
type: ChemicalCompound
broader: CHEMONTID_0000296
type: Concept
type: ChemicalSubstance
cas number: 36209-71-9

5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2-benzofuranon
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
broader: CHEMONTID_0000301
smiles: CC1(CCCC2(C1=CC(=O)O2)C)C
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 19432-05-4
iupac name: 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one @en
cas number: 15356-74-8
inchikey: IMKHDCBNRDRUEB-UHFFFAOYSA-N
notation: 5677aT4H447a
type: Concept
type: ChemicalSubstance
pubchem: 27209
cas number: 17092-92-1

buprofezin
pubchem: 50367
cas number: 69327-76-0
type: Concept
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
type: ChemicalSubstance
inchikey: PRLVTUNWOQKEAI-UHFFFAOYSA-N
iupac name: 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one @en
notation: bupfzn
type: ChemicalCompound
formula: C16H23N3OS
broader: CHEMONTID_0003094
in scheme: Conceptschema Chemische Stoffen

capectiabine
in scheme: Conceptschema Chemische Stoffen
formula: C15H22FN3O6
cas number: 154361-50-9
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
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: captabne
broader: CHEMONTID_0004502
inchikey: GAGWJHPBXLXJQN-UORFTKCHSA-N
cas number: 158798-73-3
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

triacontaan
notation: C30a
type: ChemicalSubstance
inchikey: JXTPJDDICSTXJX-UHFFFAOYSA-N
type: Concept
cas number: 638-68-6
type: ChemicalCompound
broader: CHEMONTID_0002500
pubchem: 12535
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
formula: C30H62
in scheme: Conceptschema Chemische Stoffen
iupac name: TRIACONTANE @en

1-dodecanol
type: ChemicalSubstance
cas number: 68551-07-5
inchi: InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
smiles: CCCCCCCCCCCCO
cas number: 8032-09-5
inchikey: LQZZUXJYWNFBMV-UHFFFAOYSA-N
notation: 1C12ol
in scheme: Conceptschema Chemische Stoffen
formula: C12H26O
cas number: 112-53-8
pubchem: 8193
broader: CHEMONTID_0001334
type: Concept
cas number: 68855-55-0
cas number: 8032-10-8
cas number: 8032-08-4
cas number: 8014-32-2
iupac name: dodecan-1-ol @en
type: ChemicalCompound
cas number: 1322-35-6

amoxicilline
inchikey: MQXQVCLAUDMCEF-CWLIKTDRSA-N
formula: C16H25N3O8S
cas number: 26787-78-0
type: Concept
cas number: 61336-70-7
broader: CHEMONTID_0000174
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
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
notation: amxclne
type: ChemicalCompound
pubchem: 62883

hydramethylnon
type: ChemicalSubstance
formula: C25H24F6N4
in scheme: Conceptschema Chemische Stoffen
inchikey: IQVNEKKDSLOHHK-FNCQTZNRSA-N
cas number: 67485-29-4
notation: hydC1ynn
type: Concept
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+
broader: CHEMONTID_0004551
cas number: 70829-12-8
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
type: ChemicalCompound

etofibraat
broader: CHEMONTID_0000417
iupac name: 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate hydrochloride @en
type: Concept
pubchem: 3017044
type: ChemicalCompound
cas number: 56775-91-8
formula: C18H19Cl2NO5
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
inchikey: SMQMWHHMXSBKEP-UHFFFAOYSA-N
cas number: 31637-97-5
notation: etfbt

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

2,3,4,5-tetrachloornitrobenzeen
type: ChemicalCompound
iupac name: 1,2,3,4-Tetrachloro-5-nitrobenzene @en
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-]
inchi: InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0000036
type: Concept
inchikey: MTBYTWZDRVOMBR-UHFFFAOYSA-N
pubchem: 13428
cas number: 879-39-0
formula: C6HCl4NO2

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

2,4-dichloorbenzoezuur
notation: 24DClbenzzr
type: ChemicalCompound
cas number: 50-84-0
iupac name: 2,4-Dichlorobenzoic acid @en
formula: C7H4Cl2O2
smiles: C1=CC(=C(C=C1Cl)Cl)C(=O)O
pubchem: 5787
type: ChemicalSubstance
inchikey: ATCRIUVQKHMXSH-UHFFFAOYSA-N
broader: CHEMONTID_0002611
type: Concept
inchi: InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
in scheme: Conceptschema Chemische Stoffen

desacetycefapirine
cas number: 38115-21-8
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000173
formula: C15H15N3O5S2
type: ChemicalCompound
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
inchikey: IOFHZPVEQXTSQW-BXUZGUMPSA-N
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
type: ChemicalSubstance
pubchem: 162287

benzoximaat
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
pubchem: 34475
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
formula: C18H18ClNO5
cas number: 29104-30-1
inchikey: HOERQTQCTISLFR-UHFFFAOYSA-N
notation: benzxmt
iupac name: [(3-chloro-2,6-dimethoxybenzoyl)-ethylamino] benzoate @en
broader: CHEMONTID_0004111
in scheme: Conceptschema Chemische Stoffen

sulfadiazine
type: Concept
broader: CHEMONTID_0001925
smiles: C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
type: ChemicalSubstance
type: ChemicalCompound
formula: C10H10N4O2S
iupac name: 4-amino-N-pyrimidin-2-ylbenzenesulfonamide @en
cas number: 68-35-9
in scheme: Conceptschema Chemische Stoffen
notation: sulfdazne
inchikey: SEEPANYCNGTZFQ-UHFFFAOYSA-N
cas number: 141582-64-1
pubchem: 5215
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)

2-chloor-5-methylaniline
notation: 2Cl5C1yAn
in scheme: Conceptschema Chemische Stoffen
cas number: 95-81-8
inchi: InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
pubchem: 66770
formula: C7H8ClN
smiles: CC1=CC(=C(C=C1)Cl)N
inchikey: HPSCXFOQUFPEPE-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0003964
type: ChemicalCompound
iupac name: 2-Chloro-5-methylaniline @en

broomtrifluormethaan
formula: CBrF3
cas number: 75-63-8
notation: halon1301
pubchem: 6384
type: ChemicalSubstance
smiles: C(F)(F)(F)Br
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: bromo-trifluoromethane @en
cas number: 62395-25-9
broader: CHEMONTID_0004157
type: ChemicalCompound
inchi: InChI=1S/CBrF3/c2-1(3,4)5
inchikey: RJCQBQGAPKAMLL-UHFFFAOYSA-N

tetraethyleenglycoldimethylether
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: COCCOCCOCCOCCOC
inchikey: ZUHZGEOKBKGPSW-UHFFFAOYSA-N
cas number: 70992-84-6
pubchem: 8925
notation: TEGDME
type: ChemicalSubstance
type: Concept
cas number: 143-24-8
inchi: InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3
formula: C10H22O5
iupac name: 1-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethane @en
broader: CHEMONTID_0001167

2,3,3',4,4',5'-hexachloorbifenyl
inchikey: YTWXDQVNPCIEOX-UHFFFAOYSA-N
type: ChemicalCompound
is referenced by: LUC VI 002
formula: C12H4Cl6
type: Concept
cas number: 69782-90-7
alternative label: PCB 157
alternative label: pcb 157
comment: VLAR III (D3) 'dioxineachtige PCB's'
notation: PCB157
in scheme: Conceptschema Chemische Stoffen
alternative label: 2,3,3',4,4',5'-hexachloorbifenyl (pcb157)
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
pubchem: 50891
broader: CHEMONTID_0003030
type: ChemicalSubstance
iupac name: 1,2,3-trichloro-5-(2,3,4-trichlorophenyl)benzene @en

ibuprofen
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 3672
broader: CHEMONTID_0002551
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)
notation: ibpfn
smiles: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
cas number: 58560-75-1
type: Concept
cas number: 15687-27-1
inchikey: HEFNNWSXXWATRW-UHFFFAOYSA-N
formula: C13H18O2
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-[4-(2-methylpropyl)phenyl]propanoic acid @en

diuron
cas number: 330-54-1
in scheme: Conceptschema Chemische Stoffen
cas number: 56449-18-4
iupac name: 3-(3,4-Dichlorophenyl)-1,1-dimethylurea @en
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)
type: ChemicalCompound
pubchem: 3120
smiles: CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
broader: CHEMONTID_0001935
cas number: 127641-75-2
cas number: 150825-44-8
formula: C9H10Cl2N2O
inchikey: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 201749-62-4
cas number: 102962-29-8
notation: Durn
type: Concept

natriumpentachloorfenaat
cas number: 131-52-2
inchikey: HCJLVWUMMKIQIM-UHFFFAOYSA-M
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]
inchi: InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1
broader: CHEMONTID_0001099
type: ChemicalSubstance
pubchem: 8568
formula: C6Cl5NaO
notation: NaPeClfnt
iupac name: sodium 2,3,4,5,6-pentachlorophenolate @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

1,1-dichloor-1,2,2,3,3-pentafluorpropaan
iupac name: 1,1-DICHLORO-1,2,2,3,3-PENTAFLUOROPROPANE @en
pubchem: 61627
type: Concept
inchikey: JXMGZLBGSDLPKN-UHFFFAOYSA-N
broader: CHEMONTID_0001517
notation: HCFK225cc
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 13474-88-9
smiles: C(C(C(F)(Cl)Cl)(F)F)(F)F
formula: C3HCl2F5
inchi: InChI=1S/C3HCl2F5/c4-3(5,10)2(8,9)1(6)7/h1H
type: ChemicalCompound

clothianidine
pubchem: 213027
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)
in scheme: Conceptschema Chemische Stoffen
cas number: 205510-92-5
type: Concept
notation: clotandne
formula: C6H8ClN5O2S
cas number: 210880-92-5
inchikey: PGOOBECODWQEAB-UHFFFAOYSA-N
smiles: CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]
iupac name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine @en
type: ChemicalCompound
type: ChemicalSubstance
cas number: 205510-53-8
broader: CHEMONTID_0002635

dimethylbenzylamine
type: ChemicalCompound
broader: CHEMONTID_0000185
smiles: CN(C)CC1=CC=CC=C1
cas number: 103-83-3
cas number: 59125-51-8
pubchem: 7681
iupac name: N,N-dimethyl-1-phenylmethanamine @en
in scheme: Conceptschema Chemische Stoffen
cas number: 28262-13-7
inchi: InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
inchikey: XXBDWLFCJWSEKW-UHFFFAOYSA-N
formula: C9H13N
notation: DC1ybenzAe
type: Concept
type: ChemicalSubstance

metiram
type: ChemicalCompound
iupac name: zinc [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en
notation: metrm
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
smiles: C(CN=C(S)[S-])N=C(S)[S-].[Zn+2]
broader: CHEMONTID_0004306
cas number: 9006-42-2
notation: zinb
alternative label: zineb
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: AMHNZOICSMBGDH-UHFFFAOYSA-L
pubchem: 8873
cas number: 12122-67-7
formula: C4H6N2S4Zn
type: Concept

triflusulfuron-methyl
type: Concept
iupac name: methyl 2-[[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate @en
pubchem: 92434
broader: CHEMONTID_0004706
type: ChemicalCompound
formula: C17H19F3N6O6S
inchikey: IMEVJVISCHQJRM-UHFFFAOYSA-N
cas number: 126535-15-7
notation: TfsfrnC1y
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

endrin aldehyde
formula: C12H8Cl6O
alternative label: endrinaldehyde
type: ChemicalCompound
type: Concept
pubchem: 522524
inchikey: HCTWZIFNBBCVGM-UHFFFAOYSA-N
broader: CHEMONTID_0001549
notation: endAh
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
type: ChemicalSubstance
cas number: 7421-93-4
iupac name: 3,4,5,6,6,7-hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undecane-10-carbaldehyde @en
in scheme: Conceptschema Chemische Stoffen

radium 225
cas number: 13981-53-8
type: ChemicalSubstance
type: ChemicalCompound
formula: Ra
broader: CHEMONTID_0000428
pubchem: 6336607
smiles: [Ra]
iupac name: radium-225 @en
notation: Ra225
inchikey: HCWPIIXVSYCSAN-BJUDXGSMSA-N
inchi: InChI=1S/Ra/i1-1
type: Concept
in scheme: Conceptschema Chemische Stoffen

platina
smiles: [Pt]
cas number: 21547-63-7
pubchem: 23939
formula: Pt
inchikey: BASFCYQUMIYNBI-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
cas number: 7440-06-4
broader: CHEMONTID_0000426
type: ChemicalSubstance
inchi: InChI=1S/Pt
notation: Pt
comment: VLAREM II bijlage 4.4.2
alternative label: platina (Pt)
iupac name: PLATINUM @en
definition: Platina en zijn verbindingen, uitgedrukt als Pt
in scheme: Conceptschema Chemische Stoffen

5-beta-cholestan-3-beta-ol
pubchem: 221122
cas number: 360-68-9
broader: CHEMONTID_0001469
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
formula: C27H48O
type: ChemicalSubstance
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
in scheme: Conceptschema Chemische Stoffen
inchikey: QYIXCDOBOSTCEI-NWKZBHTNSA-N
notation: 5acholet3bol
type: ChemicalCompound
type: Concept

acetylhexamethyltetrahydronaftaleen
iupac name: 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone @en
notation: AHTN
alternative label: tonalide
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
cas number: 131433-13-1
type: Concept
cas number: 21145-77-7
notation: ATHN
type: ChemicalSubstance
inchikey: DNRJTBAOUJJKDY-UHFFFAOYSA-N
formula: C18H26O
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000048
pubchem: 89440
cas number: 1506-02-1

natriumthiosulfaat
cas number: 10102-17-7
pubchem: 61475
smiles: O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+]
type: ChemicalCompound
inchi: InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2
notation: NatoSO4
inchikey: PODWXQQNRWNDGD-UHFFFAOYSA-L
cas number: 7772-98-7
type: Concept
broader: CHEMONTID_0000668
formula: H10Na2O8S2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: disodium;dioxido-oxo-sulfanylidene-lambda6-sulfane;pentahydrate @en

einsteinium
inchikey: CKBRQZNRCSJHFT-UHFFFAOYSA-N
iupac name: EINSTEINIUM @en
type: ChemicalSubstance
notation: Es
cas number: 7429-92-7
inchi: InChI=1S/Es
pubchem: 23913
type: Concept
type: ChemicalCompound
formula: Es
broader: CHEMONTID_0000430
smiles: [Es]
in scheme: Conceptschema Chemische Stoffen

fosmet
cas number: 732-11-6
cas number: 5104-30-3
smiles: COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 12901
type: ChemicalCompound
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
broader: CHEMONTID_0004749
notation: fosmt
inchikey: LMNZTLDVJIUSHT-UHFFFAOYSA-N

fenacitine
smiles: CCOC1=CC=C(C=C1)NC(=O)C
type: Concept
pubchem: 4754
cas number: 62-44-2
iupac name: N-(4-Ethoxyphenyl)acetamide @en
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001846
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)
notation: fenctne
inchikey: CPJSUEIXXCENMM-UHFFFAOYSA-N

propionaldehyde
type: ChemicalSubstance
inchikey: NBBJYMSMWIIQGU-UHFFFAOYSA-N
inchi: InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
cas number: 123-38-6
type: Concept
type: ChemicalCompound
pubchem: 527
comment: VLAREM II bijlage 4.4.2
in scheme: Conceptschema Chemische Stoffen
iupac name: propanal @en
formula: C3H6O
broader: CHEMONTID_0002434
smiles: CCC=O
notation: C3al
alternative label: propanal

cadusafos
cas number: 95465-99-9
formula: C10H23O2PS2
smiles: CCC(C)SP(=O)(OCC)SC(C)CC
type: ChemicalCompound
cas number: 103735-82-6
in scheme: Conceptschema Chemische Stoffen
pubchem: 91752
iupac name: 2-(butan-2-ylsulfanyl-ethoxyphosphoryl)sulfanylbutane @en
type: ChemicalSubstance
broader: CHEMONTID_0001438
notation: cadsfs
inchikey: KXRPCFINVWWFHQ-UHFFFAOYSA-N
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
type: Concept

diethylstilboestrol
cas number: 8030-34-0
inchikey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
cas number: 8049-42-1
in scheme: Conceptschema Chemische Stoffen
cas number: 56-53-1
notation: DC2ysbsl
iupac name: ['4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol', '4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol'] @en
cas number: 22610-99-7
type: ChemicalSubstance
smiles: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
cas number: 8053-00-7
pubchem: 448537
type: ChemicalCompound
cas number: 6898-97-1
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+
broader: CHEMONTID_0000253
formula: C18H20O2
cas number: 8026-45-7
type: Concept
cas number: 8028-09-9

chloorhexidinegluconaat
cas number: 14007-07-9
cas number: 18472-51-0
cas number: 12068-31-4
broader: CHEMONTID_0000215
pubchem: 29089
cas number: 124973-71-3
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
cas number: 151498-43-0
in scheme: Conceptschema Chemische Stoffen
cas number: 40330-16-3
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
type: ChemicalSubstance
cas number: 60404-86-6
cas number: 60042-57-1
cas number: 51365-13-0
type: ChemicalCompound
formula: C34H54Cl2N10O14
type: Concept
notation: clhxdngcnt
cas number: 82432-16-4
cas number: 105791-72-8
inchikey: YZIYKJHYYHPJIB-UUPCJSQJSA-N
cas number: 52387-19-6
cas number: 150621-85-5
cas number: 52196-45-9
cas number: 23289-58-9
cas number: 21293-24-3

prosulfuron
pubchem: 91751
type: Concept
cas number: 94125-34-5
notation: prosfrn
type: ChemicalSubstance
broader: CHEMONTID_0000031
formula: C15H16F3N5O4S
inchikey: LTUNNEGNEKBSEH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea @en

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

metalaxyl metaboliet cga 62826
broader: CHEMONTID_0004148
type: ChemicalCompound
alternative label: metalaxyl metaboliet CGA 62826
inchikey: ZRIKZVLHMGYCIR-NSHDSACASA-N
cas number: 87764-37-2
iupac name: (2S)-2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoic acid @en
notation: mlxlMC62826
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
formula: C14H19NO4
type: Concept
pubchem: 159151
smiles: CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)COC

benzo(c)fluoreen
inchikey: FRIJWEQBTIZQMD-UHFFFAOYSA-N
cas number: 205-12-9
type: ChemicalCompound
notation: BcFle
broader: CHEMONTID_0000020
pubchem: 9150
cas number: 61089-87-0
smiles: C1C2=C(C3=CC=CC=C31)C4=CC=CC=C4C=C2
formula: C17H12
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
cas number: 30777-20-9
iupac name: 7H-Benzo[c]fluorene @en
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

2-chloor-6-methylfenol
cas number: 87-64-9
inchikey: YPNZJHFXFVLXSE-UHFFFAOYSA-N
iupac name: 2-Chloro-6-methylphenol @en
inchi: InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
formula: C7H7ClO
notation: 2Cl6C1yFol
broader: CHEMONTID_0001274
pubchem: 6898
type: ChemicalSubstance
type: Concept
smiles: CC1=C(C(=CC=C1)Cl)O
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

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

2,2',3,3',4,6,6'-heptachloorbifenyl
formula: C12H3Cl7
cas number: 52663-65-7
type: ChemicalCompound
type: Concept
inchikey: HGMYRFJAJNYBRX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
notation: PCB176
iupac name: 1,2,3,5-tetrachloro-4-(2,3,6-trichlorophenyl)benzene @en
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
broader: CHEMONTID_0003030
pubchem: 63097

metalaxyl
type: Concept
pubchem: 42586
smiles: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC
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
cas number: 102256-63-3
type: ChemicalSubstance
formula: C15H21NO4
type: ChemicalCompound
cas number: 57837-19-1
notation: mlxl
inchikey: ZQEIXNIJLIKNTD-UHFFFAOYSA-N
iupac name: methyl 2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000394

nonylfenoltetraethoxylaat
inchikey: XXSIKMDLPWYFIJ-UHFFFAOYSA-N
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
cas number: 27176-97-2
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCO
broader: CHEMONTID_0003338
pubchem: 176452
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C23H40O5
type: ChemicalCompound
notation: NPEO4

propargiet
inchikey: ZYHMJXZULPZUED-UHFFFAOYSA-N
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
pubchem: 4936
cas number: 60098-53-5
iupac name: [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite @en
cas number: 2312-35-8
type: Concept
smiles: CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C
notation: propgt
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
type: ChemicalCompound
type: ChemicalSubstance
formula: C19H26O4S

benalaxyl
cas number: 71626-11-4
broader: CHEMONTID_0000394
type: ChemicalSubstance
type: Concept
pubchem: 51369
type: ChemicalCompound
notation: benlxl
inchikey: CJPQIRJHIZUAQP-UHFFFAOYSA-N
iupac name: methyl 2-[(2,6-dimethylphenyl)-(2-phenylacetyl)amino]propanoate @en
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
in scheme: Conceptschema Chemische Stoffen

cyanofenfos
cas number: 34460-46-3
iupac name: 4-(ethoxy-phenylphosphinothioyl)oxybenzonitrile @en
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
type: ChemicalSubstance
cas number: 13067-93-1
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)C#N
type: Concept
notation: cyanffs
cas number: 62421-62-9
inchikey: LRNJHZNPJSPMGK-UHFFFAOYSA-N
pubchem: 25669
formula: C15H14NO2PS
cas number: 62421-63-0
cas number: 62421-61-8
broader: CHEMONTID_0004767

trans-1,2-dichloorpropeen
cas number: 7069-38-7
in scheme: Conceptschema Chemische Stoffen
inchikey: PPKPKFIWDXDAGC-NSCUHMNNSA-N
pubchem: 5366870
inchi: InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2+
smiles: CC(=CCl)Cl
notation: t12DClC3e
iupac name: ['1,2-dichloroprop-1-ene', '(E)-1,2-dichloroprop-1-ene'] @en
formula: C3H4Cl2
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002863
type: Concept

monoethanolamine
smiles: C(CO)N
pubchem: 700
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 141-43-5
iupac name: 2-aminoethanol @en
formula: C2H7NO
cas number: 9007-33-4
notation: MC2olAe
inchi: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
inchikey: HZAXFHJVJLSVMW-UHFFFAOYSA-N
type: Concept
broader: CHEMONTID_0001897
type: ChemicalSubstance

irbesartan
type: Concept
broader: CHEMONTID_0000041
notation: irbstan
formula: C25H28N6O
in scheme: Conceptschema Chemische Stoffen
cas number: 138402-11-6
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
inchikey: YOSHYTLCDANDAN-UHFFFAOYSA-N
type: ChemicalSubstance
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)
pubchem: 3749
type: ChemicalCompound

tributoxyethylfosfaat
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
pubchem: 6540
notation: tris2C4oxC2y
alternative label: tris(2-butoxyethyl)fosfaat
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C18H39O7P
cas number: 119166-98-2
cas number: 31227-66-4
iupac name: Tris(2-butoxyethyl) phosphate @en
broader: CHEMONTID_0003460
cas number: 19040-50-7
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
inchikey: WTLBZVNBAKMVDP-UHFFFAOYSA-N
cas number: 78-51-3

2-methyloctadecaan
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
type: Concept
cas number: 1560-88-9
broader: CHEMONTID_0004620
type: ChemicalCompound
notation: 2C1yC18a
in scheme: Conceptschema Chemische Stoffen
formula: C19H40
inchikey: KVQVGSDBGJXNGV-UHFFFAOYSA-N
type: ChemicalSubstance
smiles: CCCCCCCCCCCCCCCCC(C)C
pubchem: 15264
iupac name: 2-METHYLOCTADECANE @en

tetryl (ce)
type: ChemicalCompound
alternative label: tetryl (CE)
pubchem: 10178
formula: C7H5N5O8
iupac name: N-methyl-N-(2,4,6-trinitrophenyl)nitramide @en
smiles: CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: tetl
inchikey: AGUIVNYEYSCPNI-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 479-45-8
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

1-methyl-4-(4-methylbenzeensulfonyl) benzeen
type: ChemicalSubstance
cas number: 599-66-6
type: ChemicalCompound
iupac name: 1-methyl-4-(4-methylphenyl)sulfonylbenzene @en
inchikey: WEAYCYAIVOIUMG-UHFFFAOYSA-N
broader: CHEMONTID_0003276
formula: C14H14O2S
pubchem: 69030
smiles: CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C
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
notation: 1C1y44C1yBen
in scheme: Conceptschema Chemische Stoffen
type: Concept

2,3,5,6-tetrachloorfenol
iupac name: 2,3,5,6-TETRACHLOROPHENOL @en
type: Concept
inchi: InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
inchikey: KEWNKZNZRIAIAK-UHFFFAOYSA-N
broader: CHEMONTID_0002771
cas number: 935-95-5
smiles: C1=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl
pubchem: 13636
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 2356T4ClFol
formula: C6H2Cl4O

2,4-D propyleen glycol butyl ether ester
notation: 24DC3yegC4yE
cas number: 1320-18-9
type: ChemicalSubstance
pubchem: 15997
alternative label: 2,4-d propyleen glycol butyl ether ester
broader: CHEMONTID_0000417
type: ChemicalCompound
iupac name: 3-butoxypropyl 2-(2,4-dichlorophenoxy)acetate @en
cas number: 1928-45-6
inchikey: KZWPFFFDRDASOU-UHFFFAOYSA-N
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
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCOCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
formula: C15H20Cl2O4

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

chloorprofam
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: CC(C)OC(=O)NC1=CC(=CC=C1)Cl
formula: C10H12ClNO2
iupac name: propan-2-yl N-(3-chlorophenyl)carbamate @en
cas number: 11097-02-2
notation: Clpfm
alternative label: chlorpropham
cas number: 101-21-3
pubchem: 2728
type: ChemicalCompound
type: Concept
inchikey: CWJSHJJYOPWUGX-UHFFFAOYSA-N
broader: CHEMONTID_0004714
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)

di-isopropylftalaat
iupac name: dipropan-2-yl benzene-1,2-dicarboxylate @en
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
type: ChemicalSubstance
formula: C14H18O4
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 11799
notation: DiC3yFt
alternative label: diisopropylftalaat
inchikey: QWDBCIAVABMJPP-UHFFFAOYSA-N
smiles: CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C
type: ChemicalCompound
cas number: 605-45-8
broader: CHEMONTID_0001350

bifenox
cas number: 42576-02-3
broader: CHEMONTID_0004155
type: Concept
iupac name: Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate @en
type: ChemicalSubstance
notation: bfnx
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
formula: C14H9Cl2NO5
in scheme: Conceptschema Chemische Stoffen
inchikey: SUSRORUBZHMPCO-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 39230

cis-13-Docosenamide
notation: c13C22eAd
smiles: CCCCCCCCC=CCCCCCCCCCCCC(=O)N
iupac name: (Z)-Docos-13-enamide @en
formula: C22H43NO
inchikey: UAUDZVJPLUQNMU-KTKRTIGZSA-N
cas number: 112-84-5
cas number: 116749-29-2
cas number: 80399-99-1
in scheme: Conceptschema Chemische Stoffen
alternative label: cis-13-docosenamide
broader: CHEMONTID_0000331
pubchem: 5365371
type: ChemicalCompound
cas number: 93050-58-9
type: Concept
type: ChemicalSubstance

triapentenol
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000099
notation: Taptnl
inchikey: CNFMJLVJDNGPHR-UKTHLTGXSA-N
type: ChemicalSubstance
cas number: 76608-88-3
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+
formula: C15H25N3O
smiles: CC(C)(C)C(C(=CC1CCCCC1)N2C=NC=N2)O
pubchem: 6437842
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

methylethylnitrosamine
inchi: InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3
type: ChemicalCompound
type: ChemicalSubstance
cas number: 10595-95-6
pubchem: 25418
iupac name: N-ethyl-N-methylnitrous amide @en
inchikey: RTDCJKARQCRONF-UHFFFAOYSA-N
formula: C3H8N2O
type: Concept
broader: CHEMONTID_0004777
in scheme: Conceptschema Chemische Stoffen
notation: C1yC2yNOAe
smiles: CCN(C)N=O

indolylazijnzuur
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 802
type: Concept
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)
notation: indlHAc
cas number: 54692-39-6
cas number: 87-51-4
formula: C10H9NO2
type: ChemicalCompound
iupac name: 2-(1H-indol-3-yl)acetic acid @en
smiles: C1=CC=C2C(=C1)C(=CN2)CC(=O)O
inchikey: SEOVTRFCIGRIMH-UHFFFAOYSA-N
broader: CHEMONTID_0001252
cas number: 6305-45-9

trifenylfosfineoxide
inchikey: FIQMHBFVRAXMOP-UHFFFAOYSA-N
formula: C18H15OP
cas number: 791-28-6
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
cas number: 47027-44-1
iupac name: ['hydroxy-tri(phenyl)phosphanium', 'di(phenyl)phosphorylbenzene'] @en
notation: TPPO
broader: CHEMONTID_0001814
pubchem: 13097
type: Concept
type: ChemicalCompound

tebufenozide
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)
type: ChemicalSubstance
iupac name: N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 142583-69-5
type: Concept
notation: tebfnzde
pubchem: 91773
inchikey: QYPNKSZPJQQLRK-UHFFFAOYSA-N
cas number: 112410-23-8
formula: C22H28N2O2
broader: CHEMONTID_0000176

flurenol
inchikey: GXAMYUGOODKVRM-UHFFFAOYSA-N
formula: C14H10O3
type: ChemicalCompound
broader: CHEMONTID_0000020
in scheme: Conceptschema Chemische Stoffen
pubchem: 10087
type: ChemicalSubstance
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)
notation: flurnl
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)O)O
type: Concept
iupac name: 9-Hydroxyfluorene-9-carboxylic acid @en
cas number: 467-69-6

koolstof 14
type: ChemicalCompound
inchi: InChI=1S/CH4/h1H4/i1+2
iupac name: Carbane-14 @en
smiles: C
pubchem: 26873
type: Concept
formula: CH4
broader: CHEMONTID_0002500
inchikey: VNWKTOKETHGBQD-NJFSPNSNSA-N
notation: C14
type: ChemicalSubstance
cas number: 14762-75-5
in scheme: Conceptschema Chemische Stoffen

alfa,alfa'-dihydroxy-1,3-diisopropylbenzeen
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
notation: aaDHOxDiC3yB
type: Concept
broader: CHEMONTID_0002811
cas number: 1999-85-5
smiles: CC(C)(C1=CC(=CC=C1)C(C)(C)O)O
inchikey: UGPWRRVOLLMHSC-UHFFFAOYSA-N
pubchem: 74816
formula: C12H18O2
iupac name: 2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

2-methylbutaan
type: Concept
cas number: 68923-44-4
smiles: CCC(C)C
type: ChemicalSubstance
inchi: InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
formula: C5H12
in scheme: Conceptschema Chemische Stoffen
cas number: 78-78-4
iupac name: 2-Methylbutane @en
inchikey: QWTDNUCVQCZILF-UHFFFAOYSA-N
cas number: 70024-92-9
cas number: 68513-65-5
type: ChemicalCompound
broader: CHEMONTID_0004620
pubchem: 6556
notation: 2C1yC4a
cas number: 92046-46-3

cholest-3-een
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
pubchem: 140131
type: ChemicalCompound
broader: CHEMONTID_0003566
notation: chol3en
type: Concept
type: ChemicalSubstance
cas number: 16732-84-6
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
inchikey: SFBMPHLOQAKIBY-HXHCRBPZSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C27H46

2,3,4,4-tetrachloorbifenyl
formula: C12H6Cl4
pubchem: 36185
broader: CHEMONTID_0003030
type: Concept
inchi: InChI=1S/C12H6Cl4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H
type: ChemicalCompound
iupac name: 1,2-dichloro-4-(2,4-dichlorophenyl)benzene @en
inchikey: RKLLTEAEZIJBAU-UHFFFAOYSA-N
cas number: 32598-10-0
notation: PCB66
type: ChemicalSubstance
smiles: C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen

natriumcyanide
pubchem: 8929
type: ChemicalSubstance
broader: CHEMONTID_0000525
cas number: 25596-52-5
inchi: InChI=1S/CN.Na/c1-2;/q-1;+1
cas number: 143-33-9
type: Concept
notation: NaCN
formula: CNNa
cas number: 13998-03-3
smiles: [C-]#N.[Na+]
in scheme: Conceptschema Chemische Stoffen
inchikey: MNWBNISUBARLIT-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: Sodium cyanide @en

acrinathrin
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+
type: Concept
cas number: 103833-18-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 6242405
notation: acntn
type: ChemicalSubstance
broader: CHEMONTID_0001461
inchikey: YLFSVIMMRPNPFK-VAWYXSNFSA-N
type: ChemicalCompound
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

spinosynA
type: ChemicalCompound
alternative label: spinosyna
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
formula: C41H65NO10
cas number: 131929-60-7
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: SRJQTHAZUNRMPR-UYQKXTDMSA-N
broader: CHEMONTID_0000282
notation: spinsnA
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
type: ChemicalSubstance
pubchem: 443059

1-broom-3-chloor-5,5-dimethylhidantoïne
smiles: CC1(C(=O)N(C(=O)N1Br)Cl)C
type: ChemicalSubstance
pubchem: 61828
notation: BCDMH
type: ChemicalCompound
broader: CHEMONTID_0002273
iupac name: 1-BROMO-3-CHLORO-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE @en
type: Concept
cas number: 16079-88-2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3
formula: C5H6BrClN2O2
inchikey: PIEXCQIOSMOEOU-UHFFFAOYSA-N

2,4-dichloorfenoxybutaanzuur
alternative label: 2,4-dichloorfenoxyboterzuur
notation: 24DB
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O
iupac name: 4-(2,4-Dichlorophenoxy)butanoic acid @en
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)
inchikey: YIVXMZJTEQBPQO-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 1489
cas number: 94-82-6
type: ChemicalCompound
formula: C10H10Cl2O3
type: Concept
alternative label: (2,4-dichloorfenoxy)boterzuur (2,4-db)

Conceptschema Chemische Stoffen
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.
belongs to: codelijst-chemische stof
type: ConceptScheme

2,3,3',4,4',5,5 '-heptachlorobifenyl
type: Concept
broader: CHEMONTID_0003030
alternative label: PCB 189
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 39635-31-9
inchikey: XUAWBXBYHDRROL-UHFFFAOYSA-N
is referenced by: LUC VI 002
alternative label: pcb 189
iupac name: 1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene @en
type: ChemicalCompound
comment: VLAR III (D3) 'dioxineachtige PCB's'
pubchem: 38306
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
alternative label: 2,3,3',4,4',5,5'-heptachloorbifenyl (pcb189)
formula: C12H3Cl7
notation: PCB189

2,2'-bibenzothiazool
type: ChemicalCompound
iupac name: 2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole @en
type: ChemicalSubstance
cas number: 4271-09-4
formula: C14H8N2S2
pubchem: 350151
notation: 22bibenztazl
in scheme: Conceptschema Chemische Stoffen
inchikey: YJVXQQKAUCYQIP-UHFFFAOYSA-N
broader: CHEMONTID_0000311
smiles: C1=CC=C2C(=C1)N=C(S2)C3=NC4=CC=CC=C4S3
type: Concept
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

2-acrylamido-2-methylpropaansulfonzuur
cas number: 115137-50-3
cas number: 15214-89-8
inchikey: FWFUWXVFYKCSQA-UHFFFAOYSA-M
broader: CHEMONTID_0001179
smiles: CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[Na+]
type: ChemicalCompound
cas number: 86848-82-0
pubchem: 3034154
cas number: 113996-54-6
type: ChemicalSubstance
cas number: 171063-24-4
in scheme: Conceptschema Chemische Stoffen
cas number: 5165-97-9
formula: C7H12NNaO4S
cas number: 112666-19-0
cas number: 95243-13-3
cas number: 152634-06-5
type: Concept
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
cas number: 76701-57-0
iupac name: sodium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate @en
cas number: 192388-82-2
notation: 2acamd2C1yC3
cas number: 129701-88-8

trifluormethaan
broader: CHEMONTID_0004160
pubchem: 6373
formula: CHF3
smiles: C(F)(F)F
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 185009-29-4
type: ChemicalCompound
type: ChemicalSubstance
cas number: 75-46-7
inchi: InChI=1S/CHF3/c2-1(3)4/h1H
inchikey: XPDWGBQVDMORPB-UHFFFAOYSA-N
notation: HFK23
iupac name: Fluoroform @en

carbosulfan
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004189
pubchem: 41384
notation: carbsfn
formula: C20H32N2O3S
iupac name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate @en
type: ChemicalCompound
cas number: 73468-61-8
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
inchikey: JLQUFIHWVLZVTJ-UHFFFAOYSA-N
type: Concept
cas number: 55285-14-8

9-hexadeceenzuur
type: Concept
cas number: 10030-73-6
inchikey: SECPZKHBENQXJG-BQYQJAHWSA-N
cas number: 2091-29-4
iupac name: ['(E)-hexadec-9-enoic acid', 'hexadec-9-enoic acid'] @en
type: ChemicalSubstance
pubchem: 5282745
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+
formula: C16H30O2
smiles: CCCCCCC=CCCCCCCCC(=O)O
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 9C16ezr
broader: CHEMONTID_0002949

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

isobutylacrylaat
pubchem: 7819
type: ChemicalCompound
formula: C7H12O2
inchikey: CFVWNXQPGQOHRJ-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0004452
smiles: CC(C)COC(=O)C=C
inchi: InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
notation: iC4yaclt
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 106-63-8
iupac name: 2-methylpropyl prop-2-enoate @en

orbencarb
type: Concept
iupac name: S-[(2-chlorophenyl)methyl] diethylaminomethanethioate @en
in scheme: Conceptschema Chemische Stoffen
inchikey: LLLFASISUZUJEQ-UHFFFAOYSA-N
cas number: 34622-58-7
type: ChemicalCompound
formula: C12H16ClNOS
notation: orbcb
broader: CHEMONTID_0001099
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
smiles: CCN(CC)C(=O)SCC1=CC=CC=C1Cl
type: ChemicalSubstance
pubchem: 36867

1-noneen
inchi: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
type: ChemicalSubstance
cas number: 68855-57-2
type: Concept
smiles: CCCCCCCC=C
broader: CHEMONTID_0004476
cas number: 124-11-8
pubchem: 31285
is referenced by: LUC IV 011
type: ChemicalCompound
iupac name: non-1-ene @en
inchikey: JRZJOMJEPLMPRA-UHFFFAOYSA-N
cas number: 68526-55-6
notation: 1C9e
in scheme: Conceptschema Chemische Stoffen
formula: C9H18

californium 251
broader: CHEMONTID_0000430
in scheme: Conceptschema Chemische Stoffen
formula: Cf
iupac name: californium-251 @en
inchikey: HGLDOAKPQXAFKI-IGMARMGPSA-N
smiles: [Cf]
cas number: 15765-19-2
type: ChemicalCompound
inchi: InChI=1S/Cf/i1+0
type: ChemicalSubstance
pubchem: 167416
type: Concept
notation: Cf251

2,6-dichloornitrobenzeen
type: ChemicalSubstance
broader: CHEMONTID_0000036
cas number: 601-88-7
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
inchikey: VITSNECNFNNVQB-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound
pubchem: 11759
formula: C6H3Cl2NO2
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl

cetirizine
cas number: 83881-51-0
inchikey: ZKLPARSLTMPFCP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
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)
broader: CHEMONTID_0000369
type: ChemicalCompound
pubchem: 2678
formula: C21H25ClN2O3
type: Concept
notation: cetrzne
type: ChemicalSubstance
iupac name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid @en

2-chloorbifenyl
smiles: C1=CC=C(C=C1)C2=CC=CC=C2Cl
type: Concept
iupac name: 1-chloro-2-phenylbenzene @en
formula: C12H9Cl
inchi: InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: LAXBNTIAOJWAOP-UHFFFAOYSA-N
pubchem: 249266
type: ChemicalCompound
notation: PCB1
cas number: 27323-18-8
broader: CHEMONTID_0000500
cas number: 2051-60-7

chloorcyclohexaan
formula: C6H11Cl
smiles: C1CCC(CC1)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: Chlorocyclohexane @en
type: ChemicalCompound
cas number: 542-18-7
notation: ClccC6a
inchikey: UNFUYWDGSFDHCW-UHFFFAOYSA-N
pubchem: 10952
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0004485
inchi: InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2

famoxadone
type: ChemicalCompound
cas number: 131807-57-3
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
broader: CHEMONTID_0004155
inchikey: PCCSBWNGDMYFCW-UHFFFAOYSA-N
formula: C22H18N2O4
pubchem: 213032
type: ChemicalSubstance
notation: famxdne
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 5-methyl-5-[4-(phenoxy)phenyl]-3-(phenylamino)-1,3-oxazolidine-2,4-dione @en

3,7,11,15-tetramethyl-1hexadecanol
inchikey: AJAKLDUGVSKVDG-UHFFFAOYSA-N
broader: CHEMONTID_0001357
cas number: 645-72-7
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)CCO
pubchem: 102459
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,7,11,15-Tetramethylhexadecan-1-ol @en
type: Concept
notation: 371115T4C1y1
type: ChemicalCompound
type: ChemicalSubstance
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

titaandioxide
cas number: 39360-64-0
cas number: 37230-94-7
cas number: 221548-98-7
cas number: 39320-58-6
notation: TiO2
cas number: 195740-11-5
cas number: 37230-96-9
cas number: 12789-63-8
inchi: InChI=1S/2O.Ti
formula: O2Ti
type: ChemicalCompound
cas number: 39379-02-7
cas number: 101239-53-6
cas number: 55068-84-3
type: Concept
broader: CHEMONTID_0000538
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
iupac name: dioxotitanium @en
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
smiles: O=[Ti]=O
cas number: 224963-00-2
cas number: 37230-95-8
type: ChemicalSubstance
pubchem: 26042
cas number: 185323-71-1
inchikey: GWEVSGVZZGPLCZ-UHFFFAOYSA-N
cas number: 12767-65-6
cas number: 12036-20-3
in scheme: Conceptschema Chemische Stoffen
is referenced by: WAC III B 002
cas number: 188357-79-1
cas number: 116788-85-3
cas number: 12000-59-8

tris(tribroomneopentyl)fosfaat
type: ChemicalCompound
broader: CHEMONTID_0003460
pubchem: 3015044
type: Concept
iupac name: tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate @en
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
type: ChemicalSubstance
cas number: 19186-97-1
notation: trisTBrnoC5y
in scheme: Conceptschema Chemische Stoffen
inchikey: BHYQWBKCXBXPKM-UHFFFAOYSA-N
cas number: 134376-16-2
cas number: 36483-58-6

2,2’-iminodiethanol
iupac name: 2-(2-Hydroxyethylamino)ethanol @en
inchikey: ZBCBWPMODOFKDW-UHFFFAOYSA-N
cas number: 8033-73-6
notation: DC2olAe
type: ChemicalSubstance
pubchem: 8113
cas number: 61791-46-6
alternative label: diethanolamine
in scheme: Conceptschema Chemische Stoffen
cas number: 61791-44-4
comment: VLAREM II bijlage 4.4.2
broader: CHEMONTID_0001897
inchi: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
cas number: 111-42-2
formula: C4H11NO2
type: ChemicalCompound
smiles: C(CO)NCCO
type: Concept

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

etoxazool
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
notation: etxzl
cas number: 153233-91-1
inchikey: IXSZQYVWNJNRAL-UHFFFAOYSA-N
pubchem: 153974
broader: CHEMONTID_0002811
iupac name: 4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole @en
formula: C21H23F2NO2

dimethylsulfoxide
cas number: 8070-53-9
formula: C2H6OS
cas number: 67-68-5
iupac name: Methylsulfinylmethane @en
type: ChemicalCompound
inchi: InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
type: Concept
cas number: 164071-41-4
notation: DC1ySO
inchikey: IAZDPXIOMUYVGZ-UHFFFAOYSA-N
smiles: CS(=O)C
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 679
broader: CHEMONTID_0000491

2,2',4,5'-tetrachloorbifenyl
inchi: InChI=1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 110866-20-1
type: ChemicalCompound
inchikey: ZWPVHELAQPIZHO-UHFFFAOYSA-N
cas number: 41464-40-8
notation: PCB49
smiles: C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2)Cl)Cl
broader: CHEMONTID_0003030
alternative label: 2,2',4,5'-tetrachloorbifenyl (pcb49)
formula: C12H6Cl4
pubchem: 38876
iupac name: 2,4-dichloro-1-(2,5-dichlorophenyl)benzene @en
type: Concept

4-cyaan-1,2,3,4-tetrahydro-1-naftaleenacetonitril
broader: CHEMONTID_0000048
type: ChemicalSubstance
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
cas number: 57964-40-6
inchikey: JRUGFHHEKLYFPC-UHFFFAOYSA-N
notation: 4CN1234T4HNa
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
iupac name: 4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile @en
pubchem: 154380
smiles: C1CC(C2=CC=CC=C2C1CCC#N)C#N

4-amino-2,6-dinitrotolueen
cas number: 19406-51-0
pubchem: 29574
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C7H7N3O4
type: Concept
iupac name: 4-methyl-3,5-dinitroaniline @en
inchi: InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3
smiles: CC1=C(C=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-]
broader: CHEMONTID_0003969
type: ChemicalSubstance
notation: 4Ao26DNO2Tol
inchikey: KQRJATLINVYHEZ-UHFFFAOYSA-N

1-propeen
broader: CHEMONTID_0004476
type: ChemicalSubstance
cas number: 115-07-1
pubchem: 8252
inchi: InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
smiles: CC=C
cas number: 33004-01-2
in scheme: Conceptschema Chemische Stoffen
cas number: 676-63-1
notation: 1C3e
inchikey: QQONPFPTGQHPMA-UHFFFAOYSA-N
formula: C3H6
iupac name: prop-1-ene @en
type: Concept
type: ChemicalCompound

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

diazacholesterol-dihydrochloride
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
type: ChemicalCompound
type: Concept
cas number: 1249-84-9
type: ChemicalSubstance
pubchem: 14729
inchikey: BZFBDUQOBQHBSZ-BJRTZXQSSA-N
formula: C25H46Cl2N2O
broader: CHEMONTID_0003053
in scheme: Conceptschema Chemische Stoffen
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
notation: DazclsrDHCl

1,2-dimethoxyethaan
type: ChemicalCompound
cas number: 173201-80-4
iupac name: 1,2-Dimethoxyethane @en
inchikey: XTHFKEDIFFGKHM-UHFFFAOYSA-N
cas number: 110-71-4
formula: C4H10O2
notation: 12DC1oxC2a
smiles: COCCOC
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 8071
inchi: InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
cas number: 24991-55-7
broader: CHEMONTID_0001167

heptachloornorborneen
type: ChemicalCompound
inchikey: PXTADLCAVHRXCA-UHFFFAOYSA-N
broader: CHEMONTID_0002863
iupac name: 1,2,4,5,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene @en
smiles: C1=C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl
type: Concept
notation: HpClnbnn
formula: C7H3Cl7
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h1,3-4H
pubchem: 34308
type: ChemicalSubstance
cas number: 28680-45-7

quinalfos
notation: quinfs
inchikey: JYQUHIFYBATCCY-UHFFFAOYSA-N
pubchem: 26124
cas number: 54511-12-5
cas number: 13593-03-8
formula: C12H15N2O3PS
in scheme: Conceptschema Chemische Stoffen
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
smiles: CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1
type: Concept
cas number: 37331-41-2
broader: CHEMONTID_0000486
iupac name: diethoxy-quinoxalin-2-yloxy-sulfanylidenephosphorane @en
type: ChemicalSubstance
type: ChemicalCompound

2,3,3'-trichloorbifenyl
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: C1=CC(=CC(=C1)Cl)C2=C(C(=CC=C2)Cl)Cl
broader: CHEMONTID_0003030
inchi: InChI=1S/C12H7Cl3/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H
type: ChemicalSubstance
formula: C12H7Cl3
iupac name: 1,2-dichloro-3-(3-chlorophenyl)benzene @en
inchikey: SXHLTVKPNQVZGL-UHFFFAOYSA-N
cas number: 38444-84-7
type: ChemicalCompound
notation: PCB20
pubchem: 38034

sucralose
inchikey: BAQAVOSOZGMPRM-QBMZZYIRSA-N
broader: CHEMONTID_0002204
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
cas number: 56038-13-2
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
formula: C12H19Cl3O8
type: Concept
type: ChemicalCompound
notation: suclse
in scheme: Conceptschema Chemische Stoffen
pubchem: 71485
type: ChemicalSubstance

butyl ftalyl butyl glycolaat
broader: CHEMONTID_0001350
cas number: 85-70-1
iupac name: O2-(2-butoxy-2-oxoethyl) O1-butyl benzene-1,2-dicarboxylate @en
in scheme: Conceptschema Chemische Stoffen
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
smiles: CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC
type: Concept
type: ChemicalCompound
pubchem: 6819
type: ChemicalSubstance
notation: C4yFtyC4ygcl
inchikey: GOJCZVPJCKEBQV-UHFFFAOYSA-N

diethylzuur pyrofosfaat
smiles: CCOP(=O)(O)OP(=O)(O)OCC
in scheme: Conceptschema Chemische Stoffen
formula: C4H12O7P2
cas number: 1707-71-7
iupac name: (ethoxy-hydroxyphosphoryl) ethyl hydrogen phosphate @en
broader: CHEMONTID_0001804
pubchem: 117947
type: ChemicalSubstance
type: Concept
notation: DC2yzrprPO4
cas number: 27194-63-4
type: ChemicalCompound
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)
inchikey: RUZMUTWCUZLWQU-UHFFFAOYSA-N

tribroometheen
type: ChemicalSubstance
smiles: C(=C(Br)Br)Br
formula: C2HBr3
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 11712
inchikey: OZVJKTHTULCNHB-UHFFFAOYSA-N
broader: CHEMONTID_0002864
iupac name: 1,1,2-tribromoethene @en
notation: TBrC2e
cas number: 598-16-3
inchi: InChI=1S/C2HBr3/c3-1-2(4)5/h1H
type: ChemicalCompound

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

2,3,3',4,5,6-hexachloorbifenyl
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
cas number: 74472-44-9
formula: C12H4Cl6
pubchem: 63079
iupac name: 1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)benzene @en
broader: CHEMONTID_0003030
type: ChemicalCompound
inchikey: ZAGRQXMWMRUYRB-UHFFFAOYSA-N
type: Concept
cas number: 41411-62-5
notation: PCB160

ureum
formula: CH4N2O
cas number: 173144-80-4
inchi: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
broader: CHEMONTID_0000517
inchikey: XSQUKJJJFZCRTK-UHFFFAOYSA-N
cas number: 57-13-6
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 174693-33-5
is referenced by: WAC IV A 003
notation: urum
iupac name: UREA @en
pubchem: 1176
cas number: 30535-50-3
cas number: 37955-36-5
cas number: 173994-65-5
smiles: C(=O)(N)N
type: ChemicalCompound
cas number: 175276-38-7
cas number: 4744-36-9

feofytine a
inchikey: DQVGVYRSVYCJRR-HTLTWAQSSA-N
pubchem: 5351507
broader: CHEMONTID_0000716
type: Concept
in scheme: Conceptschema Chemische Stoffen
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?
type: ChemicalSubstance
cas number: 603-17-8
formula: C55H74N4O5
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
type: ChemicalCompound

butachloor
smiles: CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: butCl
broader: CHEMONTID_0000285
cas number: 23184-66-9
iupac name: N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide @en
formula: C17H26ClNO2
pubchem: 31677
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
inchikey: HKPHPIREJKHECO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

2,2-dichloorpropionzuur
broader: CHEMONTID_0003000
iupac name: 2,2-Dichloropropanoic acid @en
cas number: 75-99-0
smiles: CC(C(=O)O)(Cl)Cl
pubchem: 6418
type: ChemicalCompound
inchi: InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)
type: ChemicalSubstance
formula: C3H4Cl2O2
inchikey: NDUPDOJHUQKPAG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 22DClppozr
type: Concept

perfluorhexaansulfonamide
type: Concept
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
broader: CHEMONTID_0003966
type: ChemicalSubstance
cas number: 41997-13-1
notation: PFHxSA
type: ChemicalCompound
formula: C6H2F13NO2S
in scheme: Conceptschema Chemische Stoffen
inchikey: WDZLGCSJJWEQJO-UHFFFAOYSA-N
pubchem: 11603678

narasine
in scheme: Conceptschema Chemische Stoffen
pubchem: 65452
notation: narsne
type: ChemicalSubstance
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
type: Concept
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
formula: C43H72O11
inchikey: VHKXXVVRRDYCIK-CWCPJSEDSA-N
type: ChemicalCompound
broader: CHEMONTID_0001755
cas number: 55134-13-9

octadecanal
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000298
iupac name: Octadecanal @en
in scheme: Conceptschema Chemische Stoffen
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
pubchem: 12533
smiles: CCCCCCCCCCCCCCCCCC=O
formula: C18H36O
notation: C18al
cas number: 638-66-4
inchikey: FWWQKRXKHIRPJY-UHFFFAOYSA-N

theophylline
broader: CHEMONTID_0000247
smiles: CN1C2=C(C(=O)N(C1=O)C)NC=N2
cas number: 75448-53-2
type: ChemicalSubstance
formula: C7H8N4O2
cas number: 56645-32-0
cas number: 46157-00-0
in scheme: Conceptschema Chemische Stoffen
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)
notation: theoplne
pubchem: 2153
cas number: 58-55-9
type: Concept
inchikey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 1,3-dimethyl-7H-purine-2,6-dione @en

fenarimol
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
pubchem: 43226
inchikey: NHOWDZOIZKMVAI-UHFFFAOYSA-N
type: Concept
broader: CHEMONTID_0000369
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: fenarml
formula: C17H12Cl2N2O
iupac name: (2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol @en
cas number: 60168-88-9
cas number: 162707-16-6

(24s)-ergosta-5,22(e)-dien-3beta-ol
formula: C28H46O
type: ChemicalSubstance
inchikey: OILXMJHPFNGGTO-BQYQJAHWSA-N
type: Concept
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
type: ChemicalCompound
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+
notation: 24Segs522E-d
broader: CHEMONTID_0001403
pubchem: 5365965
alternative label: (24S)-ergosta-5,22(E)-dien-3beta-ol
in scheme: Conceptschema Chemische Stoffen
cas number: 17472-78-5

glutaminezuur
broader: CHEMONTID_0004323
inchikey: WHUUTDBJXJRKMK-UHFFFAOYSA-N
smiles: C(CC(=O)O)C(C(=O)O)N
pubchem: 611
type: ChemicalCompound
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
notation: glutmnzr
in scheme: Conceptschema Chemische Stoffen
cas number: 56-86-0
cas number: 10549-13-0
cas number: 6893-26-1
cas number: 617-65-2
type: ChemicalSubstance
cas number: 138-16-9
type: Concept
cas number: 6899-05-4
formula: C5H9NO4
iupac name: 2-aminopentanedioic acid @en

monocrotofos
broader: CHEMONTID_0003459
inchikey: KRTSDMXIXPKRQR-AATRIKPKSA-N
smiles: CC(=CC(=O)NC)OP(=O)(OC)OC
cas number: 6923-22-4
pubchem: 5371562
notation: Mctfs
type: Concept
alternative label: azodrin
type: ChemicalCompound
formula: C7H14NO5P
cas number: 2157-98-4
iupac name: ['dimethyl (4-methylamino-4-oxobut-2-en-2-yl) phosphate', 'dimethyl [(E)-4-methylamino-4-oxobut-2-en-2-yl] phosphate'] @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 83857-41-4
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+
notation: azdn

broombenzeen
formula: C6H5Br
type: ChemicalSubstance
type: Concept
notation: BrBen
iupac name: Bromobenzene @en
cas number: 108-86-1
pubchem: 7961
inchikey: QARVLSVVCXYDNA-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)Br
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001098
inchi: InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H

glyfosine
inchikey: OXHDYFKENBXUEM-UHFFFAOYSA-N
notation: glyfsnt
cas number: 174491-49-7
type: ChemicalCompound
type: Concept
cas number: 2439-99-8
broader: CHEMONTID_0000060
pubchem: 17112
iupac name: 2-(bis(phosphonomethyl)amino)acetic acid @en
cas number: 174491-47-5
smiles: C(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O
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)
cas number: 174491-50-0
in scheme: Conceptschema Chemische Stoffen
formula: C4H11NO8P2
type: ChemicalSubstance

sulfaquinoxaline
cas number: 8027-68-7
type: ChemicalSubstance
pubchem: 5338
in scheme: Conceptschema Chemische Stoffen
formula: C14H12N4O2S
notation: sulfqoxlne
type: Concept
cas number: 59-40-5
inchikey: NHZLNPMOSADWGC-UHFFFAOYSA-N
broader: CHEMONTID_0000486
type: ChemicalCompound
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

mono-(2-ethylhexyl)-hexaandioaat
type: ChemicalSubstance
notation: M2C2yC6yC6aD
cas number: 4337-65-9
iupac name: 6-(2-ethylhexoxy)-6-oxohexanoic acid @en
inchikey: MBGYSHXGENGTBP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 20342
type: Concept
broader: CHEMONTID_0003086
smiles: CCCCC(CC)COC(=O)CCCCC(=O)O
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)
formula: C14H26O4
type: ChemicalCompound

jomeprol
in scheme: Conceptschema Chemische Stoffen
formula: C17H22I3N3O8
broader: CHEMONTID_0004361
type: ChemicalCompound
type: Concept
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)
type: ChemicalSubstance
cas number: 78649-41-9
iupac name: N,N'-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide @en
inchikey: NJKDOADNQSYQEV-UHFFFAOYSA-N
pubchem: 3731
notation: jompl

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

flumioxazin
broader: CHEMONTID_0001437
inchikey: FOUWCSDKDDHKQP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C19H15FN2O4
cas number: 141490-50-8
cas number: 103361-09-7
type: ChemicalCompound
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
type: Concept
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
notation: flumoxzn
pubchem: 92425

nitraat
broader: CHEMONTID_0001062
cas number: 14797-55-8
inchikey: NHNBFGGVMKEFGY-UHFFFAOYSA-N
inchi: InChI=1S/NO3/c2-1(3)4/q-1
type: ChemicalCompound
smiles: [N+](=O)([O-])[O-]
is referenced by: WAC III C 002
in scheme: Conceptschema Chemische Stoffen
pubchem: 943
notation: NO3
type: Concept
is referenced by: CMA 2 IV 4
cas number: 84145-82-4
is referenced by: WAC III D 032
type: ChemicalSubstance
iupac name: ['NITRATE', 'azonic acid'] @en
formula: NO3-

tebupirimfos
iupac name: (2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidenephosphorane @en
cas number: 96182-53-5
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
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: AWYOMXWDGWUJHS-UHFFFAOYSA-N
type: ChemicalSubstance
notation: tebprfs
pubchem: 93516
formula: C13H23N2O3PS
broader: CHEMONTID_0004771
type: ChemicalCompound
smiles: CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C

hexabroombenzeen
in scheme: Conceptschema Chemische Stoffen
cas number: 87-82-1
broader: CHEMONTID_0001098
type: ChemicalSubstance
type: ChemicalCompound
notation: HxBrBen
type: Concept
inchi: InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9
inchikey: CAYGQBVSOZLICD-UHFFFAOYSA-N
formula: C6Br6
iupac name: 1,2,3,4,5,6-hexabromobenzene @en
smiles: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
pubchem: 6905

calcium
formula: Ca
cas number: 7789-78-8
notation: Ca
smiles: [Ca]
cas number: 7440-70-2
is referenced by: WAC III A 009
type: ChemicalCompound
pubchem: 5460341
inchi: InChI=1S/Ca
inchikey: OYPRJOBELJOOCE-UHFFFAOYSA-N
broader: CHEMONTID_0000428
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 8047-59-4
iupac name: Calcium @en

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

1,2-dichloorethaan
is referenced by: LUC IV 011
formula: C2H4Cl2
inchi: InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
type: ChemicalCompound
type: Concept
comment: VLAR II bijl. 4.4.2
cas number: 107-06-2
in scheme: Conceptschema Chemische Stoffen
comment: VLAR III (D3)
inchikey: WSLDOOZREJYCGB-UHFFFAOYSA-N
is referenced by: LUC IV 000
cas number: 52399-93-6
cas number: 7572-29-4
iupac name: ['1,2-dichloroethane', '1,2-dichloroethyne'] @en
alternative label: 1,2-dichloorethaan (edc)
comment: VLAR II Art. 5.7.1.4/Art. 5.7.7.1
pubchem: 11
is referenced by: LUC IV 002
type: ChemicalSubstance
broader: CHEMONTID_0001516
smiles: C(CCl)Cl
notation: 12DClC2a

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

chloroneb
cas number: 2675-77-6
type: Concept
notation: Clnb
pubchem: 17581
formula: C8H8Cl2O2
smiles: COC1=CC(=C(C=C1Cl)OC)Cl
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: PFIADAMVCJPXSF-UHFFFAOYSA-N
broader: CHEMONTID_0004111
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
type: ChemicalCompound

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

chlooraceetaldehyde
iupac name: 2-CHLOROACETALDEHYDE @en
type: ChemicalSubstance
smiles: C(C=O)Cl
cas number: 107-20-0
notation: ClacAh
formula: C2H3ClO
in scheme: Conceptschema Chemische Stoffen
type: Concept
comment: VLAREM II bijlage 4.4.2
inchikey: QSKPIOLLBIHNAC-UHFFFAOYSA-N
broader: CHEMONTID_0001516
type: ChemicalCompound
inchi: InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
pubchem: 33

2-ethyl-anthraquinon
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000151
cas number: 84-51-5
notation: 2C2yatqnn
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
formula: C16H12O2
smiles: CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
type: ChemicalCompound
iupac name: 2-ethylanthracene-9,10-dione @en
type: ChemicalSubstance
type: Concept
pubchem: 6772
inchikey: SJEBAWHUJDUKQK-UHFFFAOYSA-N

nonylfenol
type: Concept
inchikey: XPCLSVISJWLKJE-UHFFFAOYSA-M
notation: C9yFol
iupac name: potassium 2-nonylphenolate @en
is referenced by: WAC IV A 001
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
broader: CHEMONTID_0002536
formula: C15H23KO
type: ChemicalCompound
smiles: CCCCCCCCCC1=CC=CC=C1[O-].[K+]
in scheme: Conceptschema Chemische Stoffen
cas number: 27936-43-2
is referenced by: WAC IV A 005
type: ChemicalSubstance
pubchem: 168739
cas number: 25154-52-3

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

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

alfa,alfa-dichloortolueen
cas number: 98-87-3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchi: InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
pubchem: 7411
iupac name: Dichloromethylbenzene @en
formula: C7H6Cl2
alternative label: alfa-alfa-dichloortolueen (benzalchloride)
type: ChemicalCompound
smiles: C1=CC=C(C=C1)C(Cl)Cl
broader: CHEMONTID_0002279
notation: aaDClTol
inchikey: CAHQGWAXKLQREW-UHFFFAOYSA-N
cas number: 29797-40-8
alternative label: alfa-alfa-dichloortolueen
cas number: 37808-21-2
type: Concept

zoxamide
cas number: 156052-68-5
pubchem: 122087
inchikey: SOUGWDPPRBKJEX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C14H16Cl3NO2
iupac name: 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide @en
type: ChemicalCompound
broader: CHEMONTID_0002564
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)
type: Concept
cas number: 160171-18-6
notation: zOaAd

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

2,4,5-trichloorfenol
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 95-95-4
inchi: InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
pubchem: 7271
formula: C6H3Cl3O
type: ChemicalSubstance
cas number: 77001-45-7
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)O
inchikey: LHJGJYXLEPZJPM-UHFFFAOYSA-N
iupac name: 2,4,5-Trichlorophenol @en
notation: 245TClFol
broader: CHEMONTID_0002772
type: ChemicalCompound

estriol
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
broader: CHEMONTID_0003570
type: ChemicalSubstance
formula: C18H24O3
notation: esTol
in scheme: Conceptschema Chemische Stoffen
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
smiles: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
type: ChemicalCompound
alternative label: oestriol
inchikey: PROQIPRRNZUXQM-ZXXIGWHRSA-N
type: Concept
cas number: 50-27-1
pubchem: 5756

benzyldimethylhexadecylammoniumchloride
inchikey: SXPWTBGAZSPLHA-UHFFFAOYSA-M
formula: C25H46ClN
cas number: 122-18-9
cas number: 10328-34-4
cas number: 89004-36-4
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: benzyl-hexadecyl-dimethylazanium chloride @en
cas number: 60484-28-8
notation: benzDC1yC16y
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
type: ChemicalSubstance
broader: CHEMONTID_0003977
type: Concept
pubchem: 31202

n-butylaniline
alternative label: N-butylaniline
type: ChemicalCompound
notation: NC4yAn
inchikey: VSHTWPWTCXQLQN-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 14310
inchi: InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
formula: C10H15N
type: Concept
broader: CHEMONTID_0003924
smiles: CCCCNC1=CC=CC=C1
iupac name: N-Butylaniline @en
cas number: 1126-78-9
in scheme: Conceptschema Chemische Stoffen

2-hydroxy carbamazepine
iupac name: 8-hydroxybenzo[b][1]benzazepine-11-carboxamide @en
inchikey: VPZIYMMSJFWLSP-UHFFFAOYSA-N
pubchem: 129274
cas number: 68011-66-5
in scheme: Conceptschema Chemische Stoffen
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)
notation: 2HOxcbmzpne
type: ChemicalSubstance
type: Concept
formula: C15H12N2O2
type: ChemicalCompound
broader: CHEMONTID_0000320

flucofuron
in scheme: Conceptschema Chemische Stoffen
formula: C15H8Cl2F6N2O
pubchem: 67788
inchikey: ABOVRDBEJDIBMZ-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0001935
notation: flucfrn
iupac name: 1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea @en
type: Concept
type: ChemicalSubstance
cas number: 370-50-3

fludioxonil
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
broader: CHEMONTID_0000296
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
cas number: 131341-86-1
type: ChemicalSubstance
pubchem: 86398
smiles: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N
notation: fludoxnl
inchikey: MUJOIMFVNIBMKC-UHFFFAOYSA-N
formula: C12H6F2N2O2
iupac name: 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile @en

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

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

2,2',3,4,4'-pentabroomdifenylether
broader: CHEMONTID_0001845
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: DMLQSUZPTTUUDP-UHFFFAOYSA-N
formula: C12H5Br5O
type: ChemicalSubstance
cas number: 182346-21-0
notation: PBDE85
iupac name: 1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene @en
pubchem: 177368
alternative label: 2,2',3,4,4'-pentabroomdifenylether (bde85)
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
type: ChemicalCompound

trans-deltamethrin
type: Concept
inchikey: OWZREIFADZCYQD-DXCJPMOASA-N
broader: CHEMONTID_0001461
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
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
notation: tdmtn
formula: C22H19Br2NO3
type: ChemicalSubstance
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 64363-96-8
pubchem: 47354

chlorimuron-ethyl
pubchem: 56160
inchikey: NSWAMPCUPHPTTC-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 90982-32-4
type: ChemicalCompound
iupac name: ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate @en
broader: CHEMONTID_0004705
formula: C15H15ClN4O6S
cas number: 94365-91-0
notation: chlormrC2y

curcumine
type: ChemicalCompound
broader: CHEMONTID_0000356
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
inchikey: ZIUSSTSXXLLKKK-KOBPDPAPSA-N
notation: curcmn
pubchem: 5281767
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-
cas number: 458-37-7
formula: C21H20O6

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

difenoconazool
type: ChemicalSubstance
cas number: 119446-68-3
inchikey: BQYJATMQXGBDHF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: Dfncnzl
iupac name: 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole @en
broader: CHEMONTID_0004155
type: ChemicalCompound
pubchem: 86173
formula: C19H17Cl2N3O3
type: Concept

1-methoxy-4-(1-propenyl)benzeen
broader: CHEMONTID_0000138
inchi: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
cas number: 57131-42-7
type: Concept
cas number: 109957-71-3
inchikey: RUVINXPYWBROJD-ONEGZZNKSA-N
iupac name: ['1-methoxy-4-[(E)-prop-1-enyl]benzene', '1-methoxy-4-prop-1-enylbenzene'] @en
type: ChemicalCompound
cas number: 4180-23-8
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C10H12O
notation: 1C1ox41C3yeb
cas number: 12002-40-3
cas number: 50770-19-9
cas number: 104-46-1
cas number: 8022-08-0
pubchem: 637563
smiles: CC=CC1=CC=C(C=C1)OC

methylfenylsulfon
type: Concept
iupac name: methylsulfonylbenzene @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
broader: CHEMONTID_0004233
cas number: 3112-85-4
formula: C7H8O2S
inchikey: JCDWETOKTFWTHA-UHFFFAOYSA-N
type: ChemicalSubstance
smiles: CS(=O)(=O)C1=CC=CC=C1
pubchem: 18369
notation: C1yFysfn
type: ChemicalCompound

trimethoprim
broader: CHEMONTID_0000138
inchikey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
iupac name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine @en
pubchem: 5578
type: ChemicalSubstance
cas number: 738-70-5
notation: Tmtpm
type: ChemicalCompound
type: Concept
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)
in scheme: Conceptschema Chemische Stoffen
formula: C14H18N4O3
smiles: COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

1,2,4-trichloorbenzeen
notation: 124TClBen
broader: CHEMONTID_0001099
inchi: InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
inchikey: PBKONEOXTCPAFI-UHFFFAOYSA-N
type: ChemicalCompound
formula: C6H3Cl3
smiles: C1=CC(=C(C=C1Cl)Cl)Cl
cas number: 120-82-1
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 63697-18-7
pubchem: 13
type: ChemicalSubstance
iupac name: 1,2,4-trichlorobenzene @en

n-(alfa-methylfenethyl) acetamide
broader: CHEMONTID_0000188
alternative label: N-(alfa-methylfenethyl) acetamide
inchikey: YPKBVWZHVTZSPU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
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)
type: ChemicalCompound
smiles: CC(CC1=CC=CC=C1)NC(=O)C
pubchem: 26660
formula: C11H15NO
cas number: 14383-60-9
iupac name: N-(1-phenylpropan-2-yl)acetamide @en
notation: NaC1yFC2yAd
type: ChemicalSubstance

cholest-4-en-3-one
pubchem: 440
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
type: ChemicalCompound
cas number: 601-57-0
notation: chole4e3on
in scheme: Conceptschema Chemische Stoffen
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
formula: C27H44O
broader: CHEMONTID_0001469
inchikey: NYOXRYYXRWJDKP-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance

tetramethylbenzeen
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C(=C(C=C1)C)C)C
type: ChemicalCompound
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
inchikey: UOHMMEJUHBCKEE-UHFFFAOYSA-N
cas number: 488-23-3
type: ChemicalSubstance
notation: 1234T4C1yBen
alternative label: 1,2,3,4-tetramethylbenzeen
broader: CHEMONTID_0002279
pubchem: 10263
formula: C10H14
cas number: 25619-60-7
notation: T4C1yBen

eugenol
type: Concept
inchikey: RRAFCDWBNXTKKO-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: 2-Methoxy-4-prop-2-enylphenol @en
broader: CHEMONTID_0000190
inchi: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 97-53-0
smiles: COC1=C(C=CC(=C1)CC=C)O
pubchem: 3314
notation: eugnl
formula: C10H12O2

4-methylfenol
notation: pcresl
cas number: 106-44-5
alternative label: p-cresol
type: Concept
iupac name: 4-Methylphenol @en
type: ChemicalSubstance
broader: CHEMONTID_0001275
inchikey: IWDCLRJOBJJRNH-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 72269-62-6
alternative label: 4-methylfenol (p-cresol)
notation: scresl
formula: C7H8O
cas number: 1319-77-3
cas number: 2876-02-0
smiles: CC1=CC=C(C=C1)O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
pubchem: 2879

sulfamerazine
pubchem: 5325
cas number: 127-79-7
type: ChemicalSubstance
formula: C11H12N4O2S
broader: CHEMONTID_0001925
type: Concept
type: ChemicalCompound
alternative label: sulfamerazin
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide @en
notation: sulfmrzn
cas number: 99482-27-6
smiles: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N
inchikey: QPPBRPIAZZHUNT-UHFFFAOYSA-N
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)

chloranil
in scheme: Conceptschema Chemische Stoffen
inchikey: UGNWTBMOAKPKBL-UHFFFAOYSA-N
notation: chloranl
formula: C6Cl4O2
pubchem: 8371
cas number: 118-75-2
broader: CHEMONTID_0002494
type: ChemicalCompound
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
type: ChemicalSubstance
cas number: 142655-99-0
smiles: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl
type: Concept

simvastatine
inchikey: RYMZZMVNJRMUDD-HGQWONQESA-N
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
type: ChemicalCompound
formula: C25H38O5
cas number: 79902-63-9
notation: simvstne
broader: CHEMONTID_0001244
in scheme: Conceptschema Chemische Stoffen
pubchem: 54454
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
type: Concept
type: ChemicalSubstance

N-methylperfluorbutaansulfonylamide azijnzuur
iupac name: 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propanoic acid @en
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: VDKPSKAXYKUKMK-UHFFFAOYSA-N
broader: CHEMONTID_0004314
formula: C7H6F9NO4S
in scheme: Conceptschema Chemische Stoffen
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)
pubchem: 10642942
notation: MePFBSAA
cas number: 159381-10-9

cumafos
type: ChemicalSubstance
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
in scheme: Conceptschema Chemische Stoffen
pubchem: 2871
type: ChemicalCompound
inchikey: BXNANOICGRISHX-UHFFFAOYSA-N
formula: C14H16ClO5PS
cas number: 56-72-4
broader: CHEMONTID_0000145
type: Concept
notation: cumfs
iupac name: 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one @en

tribenuronmethyl
notation: TbnrC1y
iupac name: methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate @en
in scheme: Conceptschema Chemische Stoffen
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)
pubchem: 153909
type: ChemicalSubstance
broader: CHEMONTID_0004706
inchikey: VLCQZHSMCYCDJL-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound

glyoxaal
cas number: 40094-65-3
inchi: InChI=1S/C2H2O2/c3-1-2-4/h1-2H
cas number: 107-22-2
formula: C2H2O2
in scheme: Conceptschema Chemische Stoffen
cas number: 83513-30-8
type: ChemicalSubstance
smiles: C(=O)C=O
inchikey: LEQAOMBKQFMDFZ-UHFFFAOYSA-N
notation: glyoxl
type: ChemicalCompound
iupac name: oxaldehyde @en
pubchem: 7860
cas number: 9005-91-8
broader: CHEMONTID_0002230
type: Concept

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

chitosan
formula: C56H103N9O39
broader: CHEMONTID_0000198
pubchem: 71853
type: ChemicalCompound
cas number: 9012-76-4
notation: chitsn
cas number: 57285-05-9
in scheme: Conceptschema Chemische Stoffen
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
type: Concept
type: ChemicalSubstance
inchikey: FLASNYPZGWUPSU-SICDJOISSA-N
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

trans-mevinfos
iupac name: methyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate @en
type: ChemicalCompound
smiles: CC(=CC(=O)OC)OP(=O)(OC)OC
formula: C7H13O6P
notation: tmevfs
inchi: InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5-
type: ChemicalSubstance
pubchem: 6433175
type: Concept
inchikey: GEPDYQSQVLXLEU-WAYWQWQTSA-N
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
cas number: 338-45-4

trifenyltin (kation)
cas number: 668-34-8
alternative label: trifenyltin
type: ChemicalSubstance
smiles: C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3
broader: CHEMONTID_0002279
type: ChemicalCompound
formula: C18H15Sn+
inchikey: XBRCDWHXULVEFB-UHFFFAOYSA-N
type: Concept
notation: TFySn
in scheme: Conceptschema Chemische Stoffen
iupac name: triphenylstannanylium @en
inchi: InChI=1S/3C6H5.Sn/c3*1-2-4-6-5-3-1;/h3*1-5H;/q;;;+1
pubchem: 91481

2,2-dichloordiethylether
inchi: InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
type: Concept
broader: CHEMONTID_0001167
type: ChemicalCompound
cas number: 92091-28-6
in scheme: Conceptschema Chemische Stoffen
smiles: C(CCl)OCCCl
cas number: 111-44-4
notation: 22DClDC2yEtr
iupac name: 1-chloro-2-(2-chloroethoxy)ethane @en
formula: C4H8Cl2O
pubchem: 8115
inchikey: ZNSMNVMLTJELDZ-UHFFFAOYSA-N
type: ChemicalSubstance

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

kwik
type: ChemicalCompound
notation: Hg
comment: VLAR II (D5) 'kwik en zijn verbindingen' en 'kwik en kwikverbindingen, uitgedrukt als kwik(Hg)' en 'kwik en zijn verbindingen (uitgedrukt in Hg)'
in scheme: Conceptschema Chemische Stoffen
inchikey: QSHDDOUJBYECFT-UHFFFAOYSA-N
cas number: 92786-62-4
cas number: 7439-97-6
comment: VLAR II bijl. 2.5.8.4 'totaal gasvormig kwik'
type: ChemicalSubstance
type: Concept
iupac name: Mercury @en
formula: Hg
cas number: 8030-64-6
is referenced by: LUC I 002
pubchem: 23931
comment: VLAR III (D3) 'kwik en zijn verbindingen, uitgedrukt als kwik (Hg)'
inchi: InChI=1S/Hg
comment: VLAR III (D3 art. 3.12.3.1.6) 'kwik'
cas number: 92355-34-5
smiles: [Hg]
cas number: 149038-91-5
cas number: 51887-47-9
comment: VLAR II (D2) 'kwik'
cas number: 123720-03-6
comment: VLAR III (D3, diverse art) 'Hg'
definition: kwik en kwikverbindingen, uitgedrukt als kwik (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)'
broader: CHEMONTID_0000426
alternative label: kwik (Hg)
is referenced by: LUC III 010

2,3,4,4',5-pentachloorbifenyl
type: ChemicalSubstance
comment: VLAR III (D3) 'dioxineachtige PCB's'
cas number: 74472-37-0
broader: CHEMONTID_0003030
is referenced by: LUC VI 002
type: Concept
alternative label: 2,3,4,4',5-pentachloorbifenyl (pcb114)
alternative label: pcb 114
in scheme: Conceptschema Chemische Stoffen
inchikey: SXZSFWHOSHAKMN-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 53036
iupac name: 1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene @en
notation: PCB114
formula: C12H5Cl5
alternative label: PCB 114
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

2,6-xylidine
type: Concept
inchi: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
formula: C8H11N
type: ChemicalSubstance
broader: CHEMONTID_0004209
in scheme: Conceptschema Chemische Stoffen
notation: 26xyldne
pubchem: 6896
smiles: CC1=C(C(=CC=C1)C)N
inchikey: UFFBMTHBGFGIHF-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 87-62-7
iupac name: 2,6-Dimethylaniline @en

fluroxypyr-meptyl
broader: CHEMONTID_0003971
notation: fluOxpmtl
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate @en
inchikey: OLZQTUCTGLHFTQ-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C15H21Cl2FN2O3
pubchem: 54745
type: Concept
cas number: 81406-37-3

paraoxon-ethyl
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
type: Concept
type: ChemicalCompound
formula: C10H14NO6P
broader: CHEMONTID_0000036
type: ChemicalSubstance
inchikey: WYMSBXTXOHUIGT-UHFFFAOYSA-N
smiles: CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
pubchem: 9395
cas number: 311-45-5
notation: paroonC2y
in scheme: Conceptschema Chemische Stoffen
iupac name: diethyl (4-nitrophenyl) phosphate @en

etridiazol
iupac name: 5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole @en
type: ChemicalSubstance
formula: C5H5Cl3N2OS
in scheme: Conceptschema Chemische Stoffen
inchikey: KQTVWCSONPJJPE-UHFFFAOYSA-N
inchi: InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
type: Concept
cas number: 2593-15-9
smiles: CCOC1=NC(=NS1)C(Cl)(Cl)Cl
pubchem: 17432
notation: eTDazl
type: ChemicalCompound
broader: CHEMONTID_0000128

3-hydroxynaftaleen-2,7-disulfonzuur
smiles: C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
type: ChemicalCompound
notation: 3HOxNaf27Dsf
iupac name: disodium 3-hydroxynaphthalene-2,7-disulfonate @en
cas number: 135-51-3
cas number: 148-75-4
formula: C10H6Na2O7S2
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: VNEBWJSWMVTSHK-UHFFFAOYSA-L
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
broader: CHEMONTID_0003601
cas number: 39301-76-3
pubchem: 8673

dodecaanamide N,N-bis2-hydroxyethyl
type: ChemicalCompound
cas number: 72968-36-6
cas number: 83590-20-9
smiles: CCCCCCCCCCCC(=O)N(CCO)CCO
cas number: 39341-48-5
type: Concept
notation: C12aAdNNb2Ho
broader: CHEMONTID_0001096
cas number: 15517-64-3
cas number: 83452-99-7
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
type: ChemicalSubstance
cas number: 92680-75-6
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-Bis(2-hydroxyethyl)dodecanamide @en
cas number: 120-40-1
pubchem: 8430
formula: C16H33NO3
inchikey: AOMUHOFOVNGZAN-UHFFFAOYSA-N
alternative label: dodecaanamide n,n-bis2-hydroxyethyl

mefosfolan
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
type: Concept
broader: CHEMONTID_0000408
type: ChemicalSubstance
cas number: 950-10-7
smiles: CCOP(=O)(N=C1SCC(S1)C)OCC
in scheme: Conceptschema Chemische Stoffen
notation: meffln
inchikey: LTQSAUHRSCMPLD-UHFFFAOYSA-N
pubchem: 13707
cas number: 12643-22-0
iupac name: N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine @en
formula: C8H16NO3PS2
cas number: 947-33-1
type: ChemicalCompound

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

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

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

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

diheptylftalaat
broader: CHEMONTID_0001350
notation: DC7yFt
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
smiles: CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC
alternative label: di-n-heptylftalaat
pubchem: 19284
formula: C22H34O4
iupac name: diheptyl benzene-1,2-dicarboxylate @en
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
inchikey: JQCXWCOOWVGKMT-UHFFFAOYSA-N
cas number: 3648-21-3
type: ChemicalCompound
cas number: 68515-44-6
cas number: 275818-86-5

2,3,3',4,4',6-hexachloorbifenyl
formula: C12H4Cl6
iupac name: 1,2,3,5-tetrachloro-4-(3,4-dichlorophenyl)benzene @en
pubchem: 63072
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
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: PCB158
cas number: 74472-42-7
broader: CHEMONTID_0003030
inchikey: ZQUPQXINXTWCQR-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance

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

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

pentobarbital-natrium
cas number: 10579-81-4
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
broader: CHEMONTID_0000292
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
type: ChemicalSubstance
cas number: 57-33-0
pubchem: 5982
in scheme: Conceptschema Chemische Stoffen
cas number: 23714-57-0
type: Concept
smiles: CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]
inchikey: QGMRQYFBGABWDR-UHFFFAOYSA-M
cas number: 8023-11-8
cas number: 8050-99-5
notation: pentbbtNa
type: ChemicalCompound
formula: C11H17N2NaO3

PCB 126
iupac name: 1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene @en
broader: CHEMONTID_0003030
pubchem: 63090
in scheme: Conceptschema Chemische Stoffen
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
alternative label: pcb 126
comment: VLAR III (D3) 'dioxineachtige PCB's'
formula: C12H5Cl5
cas number: 57465-28-8
type: ChemicalSubstance
notation: PCB126
alternative label: 3,3',4,4',5-pentachloorbifenyl (pcb126)
alternative label: 3,3',4,4',5-pentachloorbifenyl
type: Concept
inchikey: REHONNLQRWTIFF-UHFFFAOYSA-N
is referenced by: LUC VI 002
type: ChemicalCompound

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

texanol
in scheme: Conceptschema Chemische Stoffen
formula: C12H24O3
type: Concept
cas number: 25134-27-4
cas number: 80525-37-7
inchikey: DAFHKNAQFPVRKR-UHFFFAOYSA-N
cas number: 77-68-9
cas number: 141136-23-4
iupac name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate @en
smiles: CC(C)C(C(C)(C)COC(=O)C(C)C)O
pubchem: 6490
broader: CHEMONTID_0001238
cas number: 25265-77-4
notation: texanl
type: ChemicalCompound
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
cas number: 129383-05-7
type: ChemicalSubstance

propyzamide
inchikey: PHNUZKMIPFFYSO-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
cas number: 66393-62-2
formula: C12H11Cl2NO
iupac name: 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide @en
cas number: 11097-12-4
cas number: 23950-58-5
pubchem: 32154
cas number: 11097-11-3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: propAd
smiles: CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
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)
broader: CHEMONTID_0003099

p-tolueensulfonzuur
cas number: 104-15-4
cas number: 126033-27-0
cas number: 144647-92-7
notation: pTolsfzr
type: ChemicalCompound
cas number: 128739-80-0
in scheme: Conceptschema Chemische Stoffen
cas number: 114213-96-6
inchikey: JOXIMZWYDAKGHI-UHFFFAOYSA-N
cas number: 25231-46-3
broader: CHEMONTID_0003278
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)
cas number: 156627-46-2
cas number: 100901-72-2
cas number: 402-47-1
type: Concept
cas number: 210357-81-6
type: ChemicalSubstance
iupac name: 4-Methylbenzenesulfonic acid @en
smiles: CC1=CC=C(C=C1)S(=O)(=O)O
pubchem: 6101

17-beta-estradiol
pubchem: 5757
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
inchikey: VOXZDWNPVJITMN-ZBRFXRBCSA-N
type: ChemicalCompound
alternative label: 17beta-estradiol
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 17bestDol
broader: CHEMONTID_0003570
type: Concept
cas number: 50-28-2
cas number: 73459-61-7
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
smiles: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

testosteron cypionaat
pubchem: 441404
formula: C27H40O3
type: Concept
notation: testtrcpont
cas number: 58-20-8
broader: CHEMONTID_0001691
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
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
inchikey: HPFVBGJFAYZEBE-ZLQWOROUSA-N

pentabroombenzylalcohol
formula: C7H3Br5O
inchi: InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
type: Concept
smiles: C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
in scheme: Conceptschema Chemische Stoffen
pubchem: 2733946
inchikey: KKWHDMUCBWSKGL-UHFFFAOYSA-N
cas number: 79415-41-1
broader: CHEMONTID_0000033
iupac name: (2,3,4,5,6-pentabromophenyl)methanol @en
type: ChemicalSubstance
type: ChemicalCompound

difenzoquatmethylsulfaat
type: ChemicalSubstance
broader: CHEMONTID_0002019
type: Concept
pubchem: 39424
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
inchikey: XQEMNBNCQVQXMO-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C18H20N2O4S
iupac name: 1,2-dimethyl-3,5-diphenylpyrazol-1-ium; methyl sulfate @en
smiles: CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]
cas number: 43222-48-6
notation: DfzqtC1ySO4

8:2 fluortelomeerfosfaat diester (8:2 dipap)
inchikey: AFWOYEYXUDHGHF-UHFFFAOYSA-N
alternative label: bisperfluordecylwaterstoffosfaat (8:2 diPAP)
pubchem: 3022253
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: 8:2 diPAP
alternative label: 8:2 fluortelomeerfosfaat diester
notation: bisPFC10yPO4
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)
type: ChemicalSubstance
broader: CHEMONTID_0003459
cas number: 678-41-1
iupac name: Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate @en
alternative label: bisperfluordecylwaterstoffosfaat (8:2 dipap)
type: Concept
formula: C20H9F34O4P

triclopyr
type: Concept
notation: Tcpr
formula: C7H4Cl3NO3
iupac name: 2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid @en
inchikey: REEQLXCGVXDJSQ-UHFFFAOYSA-N
broader: CHEMONTID_0003971
smiles: C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl
pubchem: 41428
cas number: 69653-72-1
cas number: 55335-06-3
type: ChemicalSubstance
inchi: InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

medetomidine hydrochloride
smiles: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl
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
broader: CHEMONTID_0004210
cas number: 86347-15-1
formula: C13H17ClN2
notation: medtmdneHCl
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: VPNGEIHDPSLNMU-UHFFFAOYSA-N
cas number: 86347-14-0
in scheme: Conceptschema Chemische Stoffen
pubchem: 68601

1,3-dichloor-1,1,2,2,3-pentafluorpropaan
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3-Dichloro-1,1,2,2,3-pentafluoropropane @en
inchikey: UJIGKESMIPTWJH-UHFFFAOYSA-N
broader: CHEMONTID_0001517
inchi: InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H
formula: C3HCl2F5
cas number: 507-55-1
type: ChemicalSubstance
type: Concept
smiles: C(C(C(F)(F)Cl)(F)F)(F)Cl
type: ChemicalCompound
pubchem: 62353
notation: HCFK225cb

posaconazol
notation: poscnzl
formula: C37H42F2N8O4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001984
type: Concept
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
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
pubchem: 468595
cas number: 171228-49-2
inchikey: RAGOYPUPXAKGKH-XAKZXMRKSA-N

octocrilene
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
type: ChemicalCompound
notation: octclne
formula: C24H27NO2
in scheme: Conceptschema Chemische Stoffen
inchikey: FMJSMJQBSVNSBF-UHFFFAOYSA-N
cas number: 149984-83-8
broader: CHEMONTID_0000369
cas number: 6197-30-4
cas number: 80135-31-5
iupac name: 2-ethylhexyl 2-cyano-3,3-di(phenyl)prop-2-enoate @en
type: Concept
type: ChemicalSubstance
pubchem: 22571

chloorquinedifosfaat
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine; phosphoric acid @en
type: ChemicalCompound
cas number: 50-63-5
formula: C18H32ClN3O8P2
type: ChemicalSubstance
cas number: 6384-82-3
inchikey: QKICWELGRMTQCR-UHFFFAOYSA-N
cas number: 69698-56-2
pubchem: 64927
notation: ClqnDFO4
smiles: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O
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)
broader: CHEMONTID_0004537

trans-fluoxastrobin
type: ChemicalSubstance
broader: CHEMONTID_0002463
in scheme: Conceptschema Chemische Stoffen
inchikey: UFEODZBUAFNAEU-NLRVBDNBSA-N
cas number: 361377-29-9
notation: tfluoxsbn
formula: C21H16ClFN4O5
type: ChemicalCompound
type: Concept
pubchem: 11048796
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

terbumeton
iupac name: N-tert-butyl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine @en
formula: C10H19N5O
inchikey: BCQMBFHBDZVHKU-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0004734
in scheme: Conceptschema Chemische Stoffen
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)
smiles: CCNC1=NC(=NC(=N1)OC)NC(C)(C)C
type: ChemicalSubstance
type: Concept
cas number: 33693-04-8
pubchem: 36584
notation: terbmtn

neodymium 147
formula: Nd
type: Concept
iupac name: neodymium-147 @en
type: ChemicalSubstance
pubchem: 114848
cas number: 14269-74-0
smiles: [Nd]
broader: CHEMONTID_0000429
inchikey: QEFYFXOXNSNQGX-AKLPVKDBSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Nd/i1+3
type: ChemicalCompound
notation: Nd147

pentachloornitrobenzeen (quintozeen)
inchikey: LKPLKUMXSAEKID-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
formula: C6Cl5NO2
type: ChemicalSubstance
iupac name: 1,2,3,4,5-pentachloro-6-nitrobenzene @en
notation: PeClNO2Ben
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
pubchem: 6720
cas number: 56573-57-0
type: ChemicalCompound
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
cas number: 39378-26-2
cas number: 55353-34-9
cas number: 82-68-8
alternative label: pentachloornitrobenzeen

pyridafol
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl
formula: C10H7ClN2O
type: Concept
inchikey: ZUSHSDOEVHPTCU-UHFFFAOYSA-N
notation: pyrdfl
pubchem: 92316
type: ChemicalCompound
cas number: 40020-01-7
iupac name: 6-chloro-3-phenyl-1H-pyridazin-4-one @en
broader: CHEMONTID_0004147
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)

2-acetylaminofluoreen
notation: 2actAoFle
smiles: CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2
formula: C15H13NO
broader: CHEMONTID_0000020
type: ChemicalCompound
cas number: 2508-21-6
type: Concept
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)
type: ChemicalSubstance
pubchem: 5897
cas number: 53-96-3
iupac name: N-(9H-Fluoren-2-yl)acetamide @en
inchikey: CZIHNRWJTSTCEX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

dodecyltrimethylammonium
notation: C12yTC1yNH4B
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
cas number: 1119-94-4
cas number: 157929-06-1
alternative label: dodecyltrimethylammonium bromide
smiles: CCCCCCCCCCCC[N+](C)(C)C.[Br-]
broader: CHEMONTID_0004225
type: Concept
iupac name: dodecyl-trimethylazanium bromide @en
pubchem: 14249
type: ChemicalSubstance
inchikey: XJWSAJYUBXQQDR-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

butylacrylaat
broader: CHEMONTID_0004452
type: Concept
cas number: 86090-89-3
pubchem: 8846
cas number: 141-32-2
cas number: 220713-31-5
formula: C7H12O2
iupac name: butyl prop-2-enoate @en
cas number: 164251-78-9
cas number: 56257-66-0
smiles: CCCCOC(=O)C=C
cas number: 81989-46-0
alternative label: n-butylacrylaat
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
cas number: 62362-39-4
cas number: 9003-49-0
cas number: 71343-67-4
notation: C4yaclt
cas number: 126492-54-4
in scheme: Conceptschema Chemische Stoffen
inchikey: CQEYYJKEWSMYFG-UHFFFAOYSA-N
cas number: 112790-39-3

tetrahydrothiofeen-1,1-dioxide
type: ChemicalSubstance
smiles: C1CCS(=O)(=O)C1
cas number: 208252-54-4
type: ChemicalCompound
formula: C4H8O2S
in scheme: Conceptschema Chemische Stoffen
pubchem: 31347
cas number: 126-33-0
iupac name: thiolane 1,1-dioxide @en
type: Concept
broader: CHEMONTID_0000233
notation: T4Htof11DO
inchikey: HXJUTPCZVOIRIF-UHFFFAOYSA-N
inchi: InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2

methylprednisolon
in scheme: Conceptschema Chemische Stoffen
cas number: 121673-01-6
formula: C22H30O5
type: ChemicalSubstance
cas number: 83-43-2
notation: C1ypnsln
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
inchikey: VHRSUDSXCMQTMA-PJHHCJLFSA-N
pubchem: 6741
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
type: Concept
cas number: 570-35-4
broader: CHEMONTID_0003095
type: ChemicalCompound

metoprololzuur
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)
formula: C14H21NO4
broader: CHEMONTID_0002341
iupac name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid @en
pubchem: 62936
type: ChemicalSubstance
notation: metpllzr
smiles: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O
cas number: 56392-14-4
type: ChemicalCompound
inchikey: PUQIRTNPJRFRCZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept

2,6-dinitroaniline
broader: CHEMONTID_0003968
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 69070
cas number: 606-22-4
notation: 26DNO2An
formula: C6H5N3O4
inchikey: QFUSCYRJMXLNRB-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2
smiles: C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-]
type: ChemicalCompound
iupac name: 2,6-Dinitroaniline @en

adiponitril
inchikey: BTGRAWJCKBQKAO-UHFFFAOYSA-N
type: Concept
pubchem: 8128
cas number: 111-69-3
inchi: InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
cas number: 68411-90-5
type: ChemicalSubstance
notation: adpntl
iupac name: Hexanedinitrile @en
formula: C6H8N2
type: ChemicalCompound
broader: CHEMONTID_0000362
cas number: 68511-79-5
smiles: C(CCC#N)CC#N
in scheme: Conceptschema Chemische Stoffen

1-hexeen
inchikey: LIKMAJRDDDTEIG-UHFFFAOYSA-N
is referenced by: LUC IV 011
smiles: CCCCC=C
type: ChemicalCompound
broader: CHEMONTID_0004476
cas number: 68526-99-8
type: ChemicalSubstance
is referenced by: LUC IV 005
cas number: 68783-15-3
cas number: 33004-04-5
cas number: 592-41-6
type: Concept
is referenced by: LUC IV 000
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
formula: C6H12
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
cas number: 153522-12-4
pubchem: 11597
iupac name: hex-1-ene @en

sulfallaat
type: ChemicalCompound
inchikey: XJCLWVXTCRQIDI-UHFFFAOYSA-N
pubchem: 7216
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C8H14ClNS2
iupac name: 2-chloroprop-2-enyl diethylaminomethanedithioate @en
inchi: InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3
notation: sulfalt
type: ChemicalSubstance
cas number: 95-06-7
smiles: CCN(CC)C(=S)SCC(=C)Cl
broader: CHEMONTID_0003936

2,2',3,4,5'-pentachloorbifenyl
broader: CHEMONTID_0003030
notation: PCB87
iupac name: 1,2,3-trichloro-4-(2,5-dichlorophenyl)benzene @en
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 38380-02-8
pubchem: 38014
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
formula: C12H5Cl5
inchikey: OPKYDBFRKPQCBS-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance

forchlorfenuron
type: ChemicalSubstance
cas number: 68157-60-8
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)
pubchem: 93379
formula: C12H10ClN3O
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: fClfnrn
iupac name: 3-(2-chloropyridin-4-yl)-1-phenylurea @en
smiles: C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl
broader: CHEMONTID_0004532
inchikey: GPXLRLUVLMHHIK-UHFFFAOYSA-N
type: Concept

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

dimethyldifenyleendisulfide
type: ChemicalCompound
type: ChemicalSubstance
formula: C14H14S2
cas number: 103-19-5
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
in scheme: Conceptschema Chemische Stoffen
pubchem: 66027
inchikey: TZOVOULUMXXLOJ-UHFFFAOYSA-N
smiles: CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C
type: Concept
broader: CHEMONTID_0001091
iupac name: 1-methyl-4-(4-methylphenyl)disulfanylbenzene @en
notation: DC1yDFyeDS

n,n'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum
broader: CHEMONTID_0000517
iupac name: 1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea @en
type: ChemicalSubstance
type: ChemicalCompound
notation: NNb5iCN133TC
cas number: 55525-54-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 108344
inchikey: SLSSBKMDWYZIRQ-UHFFFAOYSA-N
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)
type: Concept
alternative label: N,N'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum

curium 245
smiles: [Cm]
broader: CHEMONTID_0000430
inchi: InChI=1S/Cm/i1-2
cas number: 15621-76-8
type: ChemicalCompound
formula: Cm
pubchem: 167319
notation: Cm245
type: Concept
inchikey: NIWWFAAXEMMFMS-YPZZEJLDSA-N
type: ChemicalSubstance
iupac name: curium-245 @en
in scheme: Conceptschema Chemische Stoffen

methyl 14-methylpentadecanoaat
notation: C1y14C1yC15a
inchikey: WAKCWJNDXBPEBP-UHFFFAOYSA-N
type: Concept
pubchem: 21205
type: ChemicalSubstance
cas number: 5129-60-2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
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
formula: C17H34O2
smiles: CC(C)CCCCCCCCCCCCC(=O)OC
broader: CHEMONTID_0003417

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

1,2,3,5-tetramethylbenzeen
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,5-Tetramethylbenzene @en
cas number: 527-53-7
type: ChemicalSubstance
formula: C10H14
inchi: InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3
notation: 1235T4C1yBen
broader: CHEMONTID_0002279
pubchem: 10695
type: Concept
smiles: CC1=CC(=C(C(=C1)C)C)C
type: ChemicalCompound
inchikey: BFIMMTCNYPIMRN-UHFFFAOYSA-N

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

alloxydim
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 3034433
formula: C17H25NO5
type: Concept
notation: allxdm
inchikey: CBLVUXPPNHUKDE-QBFSEMIESA-N
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-
type: ChemicalCompound
broader: CHEMONTID_0000133
cas number: 55634-91-8
iupac name: methyl (5Z)-2,2-dimethyl-4,6-dioxo-5-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1-carboxylate @en

4-ethylbenzoezuur methylester
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: Methyl 4-ethylbenzoate @en
smiles: CCC1=CC=C(C=C1)C(=O)OC
pubchem: 23827
broader: CHEMONTID_0001350
inchikey: CAABRJFUDNBRJZ-UHFFFAOYSA-N
type: ChemicalCompound
notation: 4C2ybzezC1yE
cas number: 7364-20-7
inchi: InChI=1S/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3
formula: C10H12O2
type: Concept

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

atorvastatine
type: ChemicalCompound
broader: CHEMONTID_0002695
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid @en
formula: C33H35FN2O5
cas number: 134523-00-5
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
inchikey: XUKUURHRXDUEBC-KAYWLYCHSA-N
pubchem: 60823
type: ChemicalSubstance
notation: atvttne

2,5-dichloortolueen
iupac name: 1,4-dichloro-2-methylbenzene @en
type: ChemicalSubstance
cas number: 19398-61-9
inchi: InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
formula: C7H6Cl2
pubchem: 29572
type: Concept
type: ChemicalCompound
inchikey: KFAKZJUYBOYVKA-UHFFFAOYSA-N
notation: 25DClTol
smiles: CC1=C(C=CC(=C1)Cl)Cl

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

acequinocyl
notation: acqncl
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
type: Concept
type: ChemicalCompound
pubchem: 93315
type: ChemicalSubstance
inchikey: QDRXWCAVUNHOGA-UHFFFAOYSA-N
cas number: 57960-19-7
iupac name: (3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate @en
formula: C24H32O4
in scheme: Conceptschema Chemische Stoffen
cas number: 191490-28-5
broader: CHEMONTID_0000153

methiocarb
smiles: CC1=CC(=CC(=C1SC)C)OC(=O)NC
type: ChemicalCompound
broader: CHEMONTID_0004742
inchikey: YFBPRJGDJKVWAH-UHFFFAOYSA-N
cas number: 2032-65-7
iupac name: (3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 16248
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)
cas number: 716-16-5
notation: metocb
type: Concept
type: ChemicalSubstance

tetramethylureum
notation: T4C1yurum
cas number: 632-22-4
broader: CHEMONTID_0000517
type: ChemicalSubstance
iupac name: 1,1,3,3-Tetramethylurea @en
inchi: InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
formula: C5H12N2O
pubchem: 12437
inchikey: AVQQQNCBBIEMEU-UHFFFAOYSA-N
smiles: CN(C)C(=O)N(C)C
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

methylamine hydrochloride
notation: C1yAeHCl
iupac name: methylazanium chloride @en
cas number: 135862-86-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000469
cas number: 593-51-1
type: ChemicalCompound
cas number: 865-30-5
type: ChemicalSubstance
formula: CH6ClN
pubchem: 11637
type: Concept
smiles: C[NH3+].[Cl-]
inchi: InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H
inchikey: NQMRYBIKMRVZLB-UHFFFAOYSA-N

perfluor-n-decaansulfonzuur
alternative label: perfluordecaansulfonzuur (pfds)
notation: L_PFDS
notation: PFDS
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0003961
type: Concept
alternative label: perfluor-n-decaansulfonzuur (pfds)
type: ChemicalCompound
pubchem: 67636
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
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)
alternative label: perfluor-1-decaansulfonzuur
cas number: 335-77-3
inchikey: HYWZIAVPBSTISZ-UHFFFAOYSA-N
formula: C10HF21O3S

benzoylperoxide
type: Concept
iupac name: benzoyl benzenecarboperoxoate @en
smiles: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
cas number: 132323-44-5
cas number: 37370-29-9
cas number: 143928-58-9
type: ChemicalSubstance
pubchem: 7187
in scheme: Conceptschema Chemische Stoffen
cas number: 94-36-0
type: ChemicalCompound
notation: benzypO
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
formula: C14H10O4
cas number: 117989-71-6
broader: CHEMONTID_0004112
inchikey: OMPJBNCRMGITSC-UHFFFAOYSA-N

2-methyl-3-pentanon
inchikey: HYTRYEXINDDXJK-UHFFFAOYSA-N
pubchem: 11265
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Methylpentan-3-one @en
formula: C6H12O
broader: CHEMONTID_0000118
inchi: InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
notation: 2C1y3C5on
smiles: CCC(=O)C(C)C
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 565-69-5

3-methylfenol
smiles: CC1=CC(=CC=C1)O
cas number: 15831-10-4
alternative label: m-cresol
inchi: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
formula: C7H8O
inchikey: RLSSMJSEOOYNOY-UHFFFAOYSA-N
alternative label: 3-methylfenol (m-cresol)
type: Concept
type: ChemicalCompound
iupac name: 3-methylphenol @en
type: ChemicalSubstance
notation: mcresl
pubchem: 342
broader: CHEMONTID_0001273
cas number: 108-39-4
in scheme: Conceptschema Chemische Stoffen

tetrabroombifenol dimethyl
formula: C17H16Br4O2
cas number: 37853-61-5
broader: CHEMONTID_0000369
cas number: 108608-62-4
inchikey: XRQKNNNAKHZPSP-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: 1,3-dibromo-5-[2-(3,5-dibromo-4-methoxyphenyl)propan-2-yl]-2-methoxybenzene @en
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
notation: TBBPADM
pubchem: 37841
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound

1,1-dichloorethaan
cas number: 75-34-3
broader: CHEMONTID_0001516
iupac name: 1,1-DICHLOROETHANE @en
smiles: CC(Cl)Cl
formula: C2H4Cl2
type: ChemicalCompound
inchikey: SCYULBFZEHDVBN-UHFFFAOYSA-N
pubchem: 6365
type: ChemicalSubstance
notation: 11DClC2a
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3
type: Concept

polyvinylpropionaat
cas number: 170016-12-3
type: Concept
formula: C5H8O2
notation: polvnppont
in scheme: Conceptschema Chemische Stoffen
iupac name: ethenyl propanoate @en
cas number: 25035-84-1
type: ChemicalCompound
pubchem: 7750
inchikey: UIWXSTHGICQLQT-UHFFFAOYSA-N
broader: CHEMONTID_0002354
inchi: InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
cas number: 105-38-4
smiles: CCC(=O)OC=C
type: ChemicalSubstance

cis-5,8,11,14-eicosatertaeenzuur ethylester
cas number: 1808-26-0
formula: C22H36O2
broader: CHEMONTID_0000324
type: ChemicalCompound
iupac name: ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate @en
inchikey: SNXPWYFWAZVIAU-GKFVBPDJSA-N
pubchem: 5367369
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: cC20aTzrC2y
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC
type: ChemicalSubstance

tolclofos-methyl
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: tolcfsC1y
broader: CHEMONTID_0004748
smiles: CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl
type: Concept
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
type: ChemicalCompound
pubchem: 91664
formula: C9H11Cl2O3PS
cas number: 78617-09-1
inchikey: OBZIQQJJIKNWNO-UHFFFAOYSA-N
cas number: 57018-04-9
iupac name: (2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidenephosphorane @en

aminopyralid
type: ChemicalCompound
formula: C6H4Cl2N2O2
pubchem: 213012
broader: CHEMONTID_0002414
in scheme: Conceptschema Chemische Stoffen
cas number: 150114-71-9
smiles: C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N
inchi: InChI=1S/C6H4Cl2N2O2/c7-3-1-2(9)4(8)5(10-3)6(11)12/h1H,(H2,9,10)(H,11,12)
inchikey: NIXXQNOQHKNPEJ-UHFFFAOYSA-N
notation: Aoprld
type: ChemicalSubstance
type: Concept
iupac name: 4-amino-3,6-dichloropyridine-2-carboxylic acid @en

dicrotofos
iupac name: ['(4-dimethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '[(E)-4-dimethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate'] @en
smiles: CC(=CC(=O)N(C)C)OP(=O)(OC)OC
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+
type: ChemicalSubstance
inchikey: VEENJGZXVHKXNB-VOTSOKGWSA-N
cas number: 3735-78-2
type: ChemicalCompound
type: Concept
notation: Dctfs
broader: CHEMONTID_0003459
formula: C8H16NO5P
cas number: 141-66-2
pubchem: 5371560

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

alfa-cypermethrin
broader: CHEMONTID_0001461
type: ChemicalCompound
formula: C22H19Cl2NO3
type: ChemicalSubstance
notation: acpmtn
pubchem: 49833
in scheme: Conceptschema Chemische Stoffen
cas number: 67375-30-8
cas number: 70982-02-4
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
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
type: Concept
inchikey: KAATUXNTWXVJKI-DXCJPMOASA-N

cyfenothrin
type: ChemicalCompound
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
type: Concept
notation: cyfntn
cas number: 39515-40-7
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001461
smiles: CC(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
inchikey: FJDPATXIBIBRIM-UHFFFAOYSA-N
pubchem: 38283
type: ChemicalSubstance

arseen 74
notation: As74
pubchem: 6335515
broader: CHEMONTID_0000431
inchikey: RQNWIZPPADIBDY-BJUDXGSMSA-N
cas number: 14304-78-0
type: Concept
type: ChemicalCompound
formula: As
type: ChemicalSubstance
inchi: InChI=1S/As/i1-1
smiles: [As]
iupac name: arsenic-74 @en
in scheme: Conceptschema Chemische Stoffen

2-methylindol
broader: CHEMONTID_0002497
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Methyl-1H-indole @en
notation: 2C1yidl
type: ChemicalSubstance
cas number: 95-20-5
type: ChemicalCompound
inchi: InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
smiles: CC1=CC2=CC=CC=C2N1
pubchem: 7224
inchikey: BHNHHSOHWZKFOX-UHFFFAOYSA-N
formula: C9H9N

(3-chloor-4-methylfenyl)urea
in scheme: Conceptschema Chemische Stoffen
pubchem: 25741
formula: C8H9ClN2O
broader: CHEMONTID_0001935
smiles: CC1=C(C=C(C=C1)NC(=O)N)Cl
inchikey: GAFWRUXZGSUTHS-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 13142-64-8
inchi: InChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
type: Concept
iupac name: (3-CHLORO-4-METHYLPHENYL)UREA @en
notation: 3Cl4C1yFyura
type: ChemicalSubstance

propargylalcohol
formula: C3H4O
broader: CHEMONTID_0004478
inchikey: TVDSBUOJIPERQY-UHFFFAOYSA-N
type: Concept
notation: propgachl
inchi: InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2
smiles: C#CCO
iupac name: Prop-2-yn-1-ol @en
type: ChemicalCompound
cas number: 107-19-7
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 7859

ethyl chloorformaat
in scheme: Conceptschema Chemische Stoffen
formula: C3H5ClO2
type: ChemicalCompound
smiles: CCOC(=O)Cl
type: Concept
notation: C2yClfmt
cas number: 52803-29-9
broader: CHEMONTID_0000364
inchi: InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3
pubchem: 10928
iupac name: ETHYL CHLOROFORMATE @en
cas number: 541-41-3
type: ChemicalSubstance
inchikey: RIFGWPKJUGCATF-UHFFFAOYSA-N

curium
iupac name: CURIUM @en
inchi: InChI=1S/Cm
notation: Cm
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 23979
broader: CHEMONTID_0000430
inchikey: NIWWFAAXEMMFMS-UHFFFAOYSA-N
type: Concept
cas number: 7440-51-9
smiles: [Cm]
type: ChemicalSubstance
formula: Cm

3,5-dimethylaniline
inchi: InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3
smiles: CC1=CC(=CC(=C1)N)C
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: MKARNSWMMBGSHX-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 108-69-0
iupac name: 3,5-Dimethylaniline @en
pubchem: 7949
broader: CHEMONTID_0004209
formula: C8H11N
notation: 35DC1yAn
type: Concept

naftaleen-2,6-disulfonzuur
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0003601
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)
notation: Naf26Dsfzr
type: ChemicalCompound
pubchem: 11390
inchikey: FITZJYAVATZPMJ-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: Naphthalene-2,6-disulfonic acid @en

celiprolol
iupac name: 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea @en
pubchem: 2663
cas number: 56980-93-9
formula: C20H33N3O4
type: ChemicalSubstance
broader: CHEMONTID_0004298
notation: celpll
in scheme: Conceptschema Chemische Stoffen
inchikey: JOATXPAWOHTVSZ-UHFFFAOYSA-N
type: ChemicalCompound
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)
type: Concept

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

thiobencarb
iupac name: S-[(4-chlorophenyl)methyl] diethylaminomethanethioate @en
type: ChemicalSubstance
cas number: 28249-77-6
inchikey: QHTQREMOGMZHJV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
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
smiles: CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl
notation: tobcb
pubchem: 34192
type: Concept
broader: CHEMONTID_0001099
formula: C12H16ClNOS
type: ChemicalCompound

N'-(2,4-dimethylfenyl)-N-methylformamidine
formula: C10H15ClN2
type: Concept
notation: N24DC1yFyNC1
type: ChemicalCompound
pubchem: 36325
in scheme: Conceptschema Chemische Stoffen
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
smiles: CC1=CC(=C(C=C1)[NH2+]C=NC)C.[Cl-]
alternative label: n'-(2,4-dimethylfenyl)-n-methylformamidine
cas number: 51550-40-4
broader: CHEMONTID_0004209
inchikey: VXSNJXDZTGFDMB-UHFFFAOYSA-N
cas number: 33089-74-6
type: ChemicalSubstance

bis(1,1,3,3-tetramethylbutyl) disulfide
type: Concept
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
smiles: CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: ZIMCZOLRXKPXLN-UHFFFAOYSA-N
cas number: 29956-99-8
type: ChemicalCompound
formula: C16H34S2
broader: CHEMONTID_0004089
notation: bis1133T4C1y
iupac name: 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yldisulfanyl)pentane @en
pubchem: 121601

metobromuron
notation: metbmrn
iupac name: 3-(4-Bromophenyl)-1-methoxy-1-methylurea @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: WLFDQEVORAMCIM-UHFFFAOYSA-N
formula: C9H11BrN2O2
cas number: 3060-89-7
pubchem: 18290
broader: CHEMONTID_0001935
type: Concept
smiles: CN(C(=O)NC1=CC=C(C=C1)Br)OC
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)

linuron
broader: CHEMONTID_0001935
formula: C9H10Cl2N2O2
inchikey: XKJMBINCVNINCA-UHFFFAOYSA-N
cas number: 330-55-2
pubchem: 9502
iupac name: 3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea @en
smiles: CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC
type: ChemicalSubstance
cas number: 56645-87-5
type: ChemicalCompound
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)
notation: linrn
type: Concept
in scheme: Conceptschema Chemische Stoffen

chloortrimethylbenzeen
type: ChemicalSubstance
pubchem: 15462
type: Concept
notation: ClTC1yBen
iupac name: 2-CHLORO-1,3,5-TRIMETHYLBENZENE @en
type: ChemicalCompound
inchi: InChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
in scheme: Conceptschema Chemische Stoffen
formula: C9H11Cl
inchikey: WDZACGWEPQLKOM-UHFFFAOYSA-N
broader: CHEMONTID_0001099
cas number: 1667-04-5
smiles: CC1=CC(=C(C(=C1)C)Cl)C

spiroxamine
formula: C18H35NO2
iupac name: N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl)methyl]-N-ethylpropan-1-amine @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004472
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
type: ChemicalCompound
smiles: CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C
cas number: 118134-30-8
pubchem: 86160
notation: spirxmne
type: Concept
inchikey: PUYXTUJWRLOUCW-UHFFFAOYSA-N
type: ChemicalSubstance

furosemide
notation: fursmde
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001925
cas number: 54-31-9
formula: C12H11ClN2O5S
pubchem: 3440
iupac name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid @en
in scheme: Conceptschema Chemische Stoffen
inchikey: ZZUFCTLCJUWOSV-UHFFFAOYSA-N

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

fluroxypyr
pubchem: 50465
inchikey: MEFQWPUMEMWTJP-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: flurOxpr
iupac name: 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetic acid @en
smiles: C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F
cas number: 69377-81-7
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)
broader: CHEMONTID_0003971
formula: C7H5Cl2FN2O3
type: Concept

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

nitrilotriazijnzuur
in scheme: Conceptschema Chemische Stoffen
smiles: C(C(=O)O)N(CC(=O)O)CC(=O)O
cas number: 26627-44-1
cas number: 80751-51-5
cas number: 139-13-9
type: Concept
type: ChemicalCompound
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)
alternative label: nitrilotriazijnzuur (NTA)
notation: NTA
cas number: 49784-42-1
pubchem: 8758
inchikey: MGFYIUFZLHCRTH-UHFFFAOYSA-N
iupac name: 2-(bis(carboxymethyl)amino)acetic acid @en
type: ChemicalSubstance
broader: CHEMONTID_0002404
cas number: 26627-45-2
formula: C6H9NO6

3,4,5-trimethylaniline
notation: 345TC1yAn
inchi: InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3
type: Concept
smiles: CC1=CC(=CC(=C1C)C)N
type: ChemicalCompound
formula: C9H13N
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,4,5-Trimethylaniline @en
type: ChemicalSubstance
cas number: 1639-31-2
pubchem: 74227
broader: CHEMONTID_0000284
inchikey: BXCUMAUHMPSRPZ-UHFFFAOYSA-N

anhydro-erythromycine
formula: C37H65NO12
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
notation: anHertmcne
type: ChemicalCompound
type: Concept
inchikey: YKAVHPRGGAUFDN-JTQLBUQXSA-N
broader: CHEMONTID_0000282
pubchem: 83949
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
in scheme: Conceptschema Chemische Stoffen
cas number: 23893-13-2
type: ChemicalSubstance

perfluor-n-decaanzuur (pfda)
type: Concept
notation: PFDA
type: ChemicalSubstance
broader: CHEMONTID_0003962
alternative label: perfluordecaanzuur (pfda)
alternative label: perfluordecaanzuur
type: ChemicalCompound
formula: C10HF19O2
inchikey: PCIUEQPBYFRTEM-UHFFFAOYSA-N
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid @en
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)
pubchem: 9555
alternative label: perfluor-n-decaanzuur
in scheme: Conceptschema Chemische Stoffen
cas number: 335-76-2

2,4,6-tris(1-fenylethyl)fenol
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
notation: 246T1FyC2yFo
formula: C30H30O
pubchem: 86688
broader: CHEMONTID_0002651
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: BYLSIPUARIZAHZ-UHFFFAOYSA-N
type: Concept
iupac name: 2,4,6-Tris(1-phenylethyl)phenol @en
type: ChemicalCompound
cas number: 18254-13-2

isodrin
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
type: Concept
formula: C12H8Cl6
type: ChemicalCompound
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
inchikey: QBYJBZPUGVGKQQ-SEIHLVFNSA-N
cas number: 465-73-6
notation: idn
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+
pubchem: 222548
type: ChemicalSubstance

cyclohexaan
broader: CHEMONTID_0001016
iupac name: Cyclohexane @en
cas number: 68411-76-7
type: Concept
smiles: C1CCCCC1
type: ChemicalCompound
inchikey: XDTMQSROBMDMFD-UHFFFAOYSA-N
notation: cycC6a
formula: C6H12
type: ChemicalSubstance
cas number: 25012-93-5
pubchem: 8078
cas number: 110-82-7
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

C.I. Basic Green 4
cas number: 55172-50-4
type: ChemicalSubstance
alternative label: c.i. basic green 4
cas number: 569-64-2
cas number: 10309-95-2
pubchem: 11294
broader: CHEMONTID_0000369
type: ChemicalCompound
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
inchikey: FDZZZRQASAIRJF-UHFFFAOYSA-M
formula: C23H25ClN2
smiles: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]
iupac name: [4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium chloride @en
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: cibgn4

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

2,2',4-trichloorbifenyl
inchikey: YKKYCYQDUUXNLN-UHFFFAOYSA-N
notation: PCB17
smiles: C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H
pubchem: 37804
type: Concept
broader: CHEMONTID_0003030
cas number: 37680-66-3
formula: C12H7Cl3
type: ChemicalCompound
iupac name: 2,4-dichloro-1-(2-chlorophenyl)benzene @en
type: ChemicalSubstance

ammoniumperchloraat
inchikey: HHEFNVCDPLQQTP-UHFFFAOYSA-N
broader: CHEMONTID_0001065
cas number: 28499-39-0
type: Concept
cas number: 7790-98-9
type: ChemicalSubstance
formula: ClH4NO4
cas number: 222532-79-8
cas number: 19166-97-3
type: ChemicalCompound
smiles: [NH4+].[O-]Cl(=O)(=O)=O
pubchem: 24639
inchi: InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3
iupac name: azanium perchlorate @en
cas number: 87110-01-8
cas number: 13777-04-3
in scheme: Conceptschema Chemische Stoffen
cas number: 53026-82-7
notation: NH4ClO4

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

2-aminoacetofenon
notation: 2Aoactfnn
inchi: InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
type: Concept
cas number: 551-93-9
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 11086
formula: C8H9NO
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-(2-aminophenyl)ethanone @en
cas number: 27941-88-4
broader: CHEMONTID_0004298
inchikey: GTDQGKWDWVUKTI-UHFFFAOYSA-N
smiles: CC(=O)C1=CC=CC=C1N

pyrethrin II
alternative label: pyrethrin ii
formula: C22H28O5
cas number: 121-29-9
type: ChemicalSubstance
pubchem: 5281555
type: ChemicalCompound
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
inchikey: VJFUPGQZSXIULQ-XIGJTORUSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0001724
notation: pyrtnII

2,4,5-trichlooraniline
notation: 245TClAn
pubchem: 12487
iupac name: 2,4,5-Trichloroaniline @en
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)N
type: ChemicalSubstance
formula: C6H4Cl3N
inchi: InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
broader: CHEMONTID_0000284
inchikey: GUMCAKKKNKYFEB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
cas number: 636-30-6

3,3',4,4',5,5'-hexachloorbifenyl (pcb169)
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
cas number: 1336-36-3
alternative label: PCB 169
in scheme: Conceptschema Chemische Stoffen
cas number: 32774-16-6
broader: CHEMONTID_0003030
alternative label: 3,3',4,4',5,5'-hexachloorbifenyl
comment: VLAR III (D3) 'dioxineachtige PCB's'
inchikey: ZHLICBPIXDOFFG-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene @en
is referenced by: LUC VI 002
pubchem: 36231
notation: PCB169
type: ChemicalSubstance
alternative label: pcb 169
type: Concept
formula: C12H4Cl6

dihydrotestosterone
smiles: CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
in scheme: Conceptschema Chemische Stoffen
cas number: 521-18-6
pubchem: 10635
type: Concept
cas number: 12040-51-6
cas number: 28801-96-9
type: ChemicalSubstance
formula: C19H30O2
type: ChemicalCompound
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
broader: CHEMONTID_0001467
inchikey: NVKAWKQGWWIWPM-ABEVXSGRSA-N
notation: DHT
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

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

2,4,6-trichloor-1,3,5-triazine
inchikey: MGNCLNQXLYJVJD-UHFFFAOYSA-N
smiles: C1(=NC(=NC(=N1)Cl)Cl)Cl
pubchem: 7954
broader: CHEMONTID_0004721
iupac name: 2,4,6-Trichloro-1,3,5-triazine @en
type: ChemicalSubstance
alternative label: cyanuurzuurchloride
cas number: 108-77-0
inchi: InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1
in scheme: Conceptschema Chemische Stoffen
cas number: 190086-22-7
type: ChemicalCompound
type: Concept
notation: CNuzCl
formula: C3Cl3N3

di-isoheptylftalaat (mix van isomeren)
cas number: 71888-89-6
type: Concept
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
pubchem: 591200
inchikey: RKELNIPLHQEBJO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C22H34O4
broader: CHEMONTID_0001350
cas number: 151852-28-7
iupac name: bis(5-methylhexyl) benzene-1,2-dicarboxylate @en
cas number: 41451-28-9
type: ChemicalSubstance
type: ChemicalCompound

sulfachloropyridazine
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)
type: ChemicalSubstance
iupac name: 4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide @en
smiles: C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl
broader: CHEMONTID_0001925
notation: sulfClprdzne
type: Concept
formula: C10H9ClN4O2S
alternative label: sulfachloorpyridazine
pubchem: 6634
cas number: 80-32-0
inchikey: XOXHILFPRYWFOD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

ethyl-2-methylbenzeensulfonamide
type: ChemicalSubstance
inchi: InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
iupac name: N-Ethyl-2-methylbenzenesulfonamide @en
type: Concept
type: ChemicalCompound
notation: C2y2C1yBensf
broader: CHEMONTID_0000031
formula: C9H13NO2S
cas number: 1077-56-1
smiles: CCNS(=O)(=O)C1=CC=CC=C1C
inchikey: NATWUQFQFMZVMT-UHFFFAOYSA-N
pubchem: 14110

bis(2-ethylhexyl)ester 1,3-benzeendicarbonzuur
type: ChemicalSubstance
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
inchikey: WXZOXVVKILCOPG-UHFFFAOYSA-N
formula: C24H38O4
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 8733
type: ChemicalCompound
notation: bis2C2yC6yEs
cas number: 137-89-3
broader: CHEMONTID_0004010

kaliumhydroxide
formula: HKO
in scheme: Conceptschema Chemische Stoffen
inchikey: KWYUFKZDYYNOTN-UHFFFAOYSA-M
cas number: 71769-53-4
type: ChemicalCompound
cas number: 1310-58-3
iupac name: POTASSIUM HYDROXIDE @en
type: ChemicalSubstance
notation: KOH
type: Concept
pubchem: 14797
smiles: [OH-].[K+]
broader: CHEMONTID_0000638
cas number: 29857-72-5
inchi: InChI=1S/K.H2O/h;1H2/q+1;/p-1

propranolol-hydrochloride
pubchem: 62882
type: ChemicalSubstance
broader: CHEMONTID_0000023
iupac name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride @en
alternative label: propanolol, waterstofchloride
type: Concept
formula: C16H22ClNO2
notation: propnllHCL
inchikey: ZMRUPTIKESYGQW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 318-98-9
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
type: ChemicalCompound
smiles: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl

2,4,8,10 tetraoxaspiro(5.5)undecaan
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,4,8,10-Tetraoxaspiro[5.5]undecane @en
cas number: 126-54-5
formula: C7H12O4
pubchem: 78951
inchikey: BGCSUUSPRCDKBQ-UHFFFAOYSA-N
inchi: InChI=1S/C7H12O4/c1-7(2-9-5-8-1)3-10-6-11-4-7/h1-6H2
notation: 24810T4Oasr5
type: ChemicalCompound
broader: CHEMONTID_0001314
type: Concept
smiles: C1C2(COCO1)COCOC2

methyl dimethyldithiocarbamaat
cas number: 3735-92-0
inchikey: NBBZMDUHKWRYSZ-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3
formula: C4H9NS2
in scheme: Conceptschema Chemische Stoffen
iupac name: methyl dimethylaminomethanedithioate @en
type: ChemicalCompound
notation: C1yDC1yDtocb
type: ChemicalSubstance
pubchem: 19526
smiles: CN(C)C(=S)SC
broader: CHEMONTID_0003936

perfluor-1-joodhexaan
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane @en
broader: CHEMONTID_0001518
inchi: InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
type: ChemicalSubstance
type: ChemicalCompound
inchikey: BULLJMKUVKYZDJ-UHFFFAOYSA-N
cas number: 355-43-1
formula: C6F13I
pubchem: 67733
type: Concept
notation: PF1IC6a

benzeensulfonanilide
notation: Bensfanlde
cas number: 1678-25-7
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
smiles: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2
iupac name: N-Phenylbenzenesulfonamide @en
pubchem: 74296
inchikey: XAUGWFWQVYXATQ-UHFFFAOYSA-N
broader: CHEMONTID_0000038
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C12H11NO2S
type: ChemicalCompound

molybdeen 99
inchikey: ZOKXTWBITQBERF-AKLPVKDBSA-N
notation: Mo99
in scheme: Conceptschema Chemische Stoffen
formula: Mo
type: ChemicalCompound
cas number: 14119-15-4
smiles: [Mo]
type: Concept
iupac name: molybdenum-99 @en
broader: CHEMONTID_0000426
inchi: InChI=1S/Mo/i1+3
type: ChemicalSubstance
pubchem: 104976

meclocycline
broader: CHEMONTID_0000181
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 2013-58-3
inchikey: SEPIRJBAIBYOSG-IGVRTFPHSA-N
notation: mecccne
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
type: Concept
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

4,5-dichloor-2-methyl-4-isothiazoline-3-on
type: ChemicalCompound
inchikey: CVZDIUZSWUDGOP-UHFFFAOYSA-N
pubchem: 147017
inchi: InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3
smiles: CN1C(=O)C(=C(S1)Cl)Cl
cas number: 26542-23-4
type: Concept
broader: CHEMONTID_0001030
iupac name: 4,5-dichloro-2-methyl-1,2-thiazol-3-one @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 45DCl2C1y4it
formula: C4H3Cl2NOS

4,8-dioxa-3H-perfluornonaanzuur
type: ChemicalCompound
pubchem: 52915299
iupac name: 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003000
type: ChemicalSubstance
type: Concept
notation: ADONA
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)
cas number: 919005-14-4
formula: C7H2F12O4
inchikey: AFDRCEOKCOUICI-UHFFFAOYSA-N

1-methoxyhexaan
type: ChemicalCompound
inchikey: ICBJCVRQDSQPGI-UHFFFAOYSA-N
iupac name: 1-Methoxyhexane @en
pubchem: 78484
formula: C7H16O
cas number: 4747-07-3
smiles: CCCCCCOC
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
notation: 1C1oxC6a
broader: CHEMONTID_0001167
inchi: InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3

1-isopropyl-4-methyl-benzeen
cas number: 4939-75-7
type: Concept
inchikey: HFPZCAJZSCWRBC-UHFFFAOYSA-N
type: ChemicalSubstance
smiles: CC1=CC=C(C=C1)C(C)C
broader: CHEMONTID_0000051
in scheme: Conceptschema Chemische Stoffen
alternative label: para-isopropyltolueen
type: ChemicalCompound
inchi: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
formula: C10H14
cas number: 99-87-6
pubchem: 7463
notation: 1iC3y4C1yBen
alternative label: p-isopropyltolueen
iupac name: 1-methyl-4-propan-2-ylbenzene @en

som 1,2,5,6,9,10-hexabroomcyclododecaan
type: Concept
formula: C12H18Br6
notation: sHBCD
alternative label: hexabroomcyclododecaan (hbcd)
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,5,6,9,10-HEXABROMOCYCLODODECANE @en
cas number: 3194-55-6
inchikey: DEIGXXQKDWULML-UHFFFAOYSA-N
pubchem: 18529
type: ChemicalCompound
cas number: 23774-70-1
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
type: ChemicalSubstance
alternative label: hexabroomcyclododecaan
broader: CHEMONTID_0001515
smiles: C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br

ethefon
broader: CHEMONTID_0001302
cas number: 73020-07-2
type: ChemicalSubstance
inchi: InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
type: Concept
cas number: 16672-87-0
type: ChemicalCompound
inchikey: UDPGUMQDCGORJQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: C(CCl)P(=O)(O)O
cas number: 82375-49-3
iupac name: 2-Chloroethylphosphonic acid @en
formula: C2H6ClO3P
notation: etfn
pubchem: 27982

trichloormethaan
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/CHCl3/c2-1(3)4/h1H
inchikey: HEDRZPFGACZZDS-UHFFFAOYSA-N
cas number: 8013-54-5
alternative label: trichloormethaan (chloroform)
iupac name: Chloroform @en
alternative label: chloroform
comment: VLAR II bijl. 4.4.2 'trichloormethaan'
formula: CHCl3
smiles: C(Cl)(Cl)Cl
notation: TClC1a
comment: , (syn: trichloormethaan)
type: ChemicalCompound
pubchem: 6212
is referenced by: LUC IV 011
broader: CHEMONTID_0004160
cas number: 67-66-3
is referenced by: LUC IV 002
in scheme: Conceptschema Chemische Stoffen

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

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

alfa-tocoferol (vitamine e)
cas number: 10191-41-0
iupac name: (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL @en
formula: C29H50O2
cas number: 4072-33-7
cas number: 59-02-9
type: ChemicalCompound
broader: CHEMONTID_0000201
inchikey: GVJHHUAWPYXKBD-IEOSBIPESA-N
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
notation: atcfrl
cas number: 1406-18-4
pubchem: 14985
cas number: 16826-11-2
type: Concept
cas number: 181591-70-8
cas number: 25094-97-7
in scheme: Conceptschema Chemische Stoffen
alternative label: alfa-tocoferol (Vitamine E)
cas number: 11105-14-9
type: ChemicalSubstance

gamma-linoleenzuur
in scheme: Conceptschema Chemische Stoffen
formula: C18H30O2
inchikey: VZCCETWTMQHEPK-QNEBEIHSSA-N
pubchem: 5280933
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-
type: ChemicalSubstance
iupac name: (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid @en
cas number: 506-26-3
type: ChemicalCompound
notation: glnlzr
type: Concept
smiles: CCCCCC=CCC=CCC=CCCCCC(=O)O
broader: CHEMONTID_0000504

propafos
smiles: CCCOP(=O)(OCCC)OC1=CC=C(C=C1)SC
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004742
type: ChemicalCompound
pubchem: 23717
cas number: 7292-16-2
notation: propfs
type: ChemicalSubstance
inchikey: PWYIUEFFPNVCMW-UHFFFAOYSA-N
iupac name: (4-methylsulfanylphenyl) dipropyl phosphate @en
type: Concept
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
formula: C13H21O4PS

(-)-11-nor-9-carboxy-delta-9-tetrahydrocannabinol
iupac name: (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid @en
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 108207
notation: m11n9cbxd9TH
inchikey: YOVRGSHRZRJTLZ-HZPDHXFCSA-N
type: Concept
cas number: 56354-06-4
broader: CHEMONTID_0003522
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
in scheme: Conceptschema Chemische Stoffen
formula: C21H28O4

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

N,N-diallyldichlooracetamide
formula: C8H11Cl2NO
alternative label: n,n-diallyldichlooracetamide
smiles: C=CCN(CC=C)C(=O)C(Cl)Cl
pubchem: 37829
cas number: 37764-25-3
inchi: InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001664
inchikey: YRMLFORXOOIJDR-UHFFFAOYSA-N
notation: NNDalDClacAd
type: ChemicalCompound
cas number: 11140-95-7
type: Concept
iupac name: 2,2-dichloro-N,N-di(prop-2-enyl)acetamide @en

tetraacetylethyleendiamine
inchikey: BGRWYDHXPHLNKA-UHFFFAOYSA-N
inchi: InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3
pubchem: 66347
type: ChemicalSubstance
formula: C10H16N2O4
iupac name: N-acetyl-N-[2-(diacetylamino)ethyl]acetamide @en
notation: TAED
type: Concept
type: ChemicalCompound
cas number: 10543-57-4
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C
broader: CHEMONTID_0001658

magnesiumhydroxide
iupac name: Magnesium dihydroxide @en
inchikey: VTHJTEIRLNZDEV-UHFFFAOYSA-L
type: ChemicalSubstance
notation: MgOH2
type: ChemicalCompound
inchi: InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2
cas number: 12195-86-7
cas number: 13760-51-5
in scheme: Conceptschema Chemische Stoffen
pubchem: 14791
cas number: 1309-42-8
broader: CHEMONTID_0000677
cas number: 1317-43-7
formula: H2MgO2
type: Concept
smiles: [OH-].[OH-].[Mg+2]

2-methylaniline
broader: CHEMONTID_0003964
type: ChemicalSubstance
smiles: CC1=CC=CC=C1N
iupac name: 2-Methylaniline @en
comment: VLAREM II bijlage 4.4.2
notation: 2C1yAn
type: ChemicalCompound
inchi: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
cas number: 95-53-4
in scheme: Conceptschema Chemische Stoffen
alternative label: o-toluïdine
inchikey: RNVCVTLRINQCPJ-UHFFFAOYSA-N
type: Concept
pubchem: 7242
formula: C7H9N

mcpa natriumzout
iupac name: sodium 2-(4-chloro-2-methylphenoxy)acetate @en
cas number: 11100-01-9
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Na+]
type: ChemicalSubstance
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
type: Concept
type: ChemicalCompound
notation: MCPANazt
broader: CHEMONTID_0004525
pubchem: 19292
formula: C9H8ClNaO3
inchikey: STAPBGVGYWCRTF-UHFFFAOYSA-M
cas number: 3653-48-3
cas number: 11114-06-0
alternative label: MCPA natriumzout

3,3-dimethylpentaan
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004620
type: Concept
inchi: InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3
smiles: CCC(C)(C)CC
cas number: 562-49-2
iupac name: 3,3-Dimethylpentane @en
formula: C7H16
inchikey: AEXMKKGTQYQZCS-UHFFFAOYSA-N
pubchem: 11229
type: ChemicalSubstance
type: ChemicalCompound
notation: 33DC1yC5a

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

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

koolstofdioxide
broader: CHEMONTID_0000554
inchi: InChI=1S/CO2/c2-1-3
type: ChemicalSubstance
type: Concept
cas number: 39310-68-4
is referenced by: LUC II 001
pubchem: 280
comment: VLAR II (D1, definities)
cas number: 122427-25-2
cas number: 12181-60-1
cas number: 18923-20-1
formula: CO2
cas number: 85540-96-1
cas number: 124-38-9
cas number: 34496-91-8
inchikey: CURLTUGMZLYLDI-UHFFFAOYSA-N
type: ChemicalCompound
smiles: C(=O)=O
in scheme: Conceptschema Chemische Stoffen
alternative label: koolstofdioxide (CO2)
notation: CO2
comment: VLAR III (D3, Art. 3.6.2.6.1) (CO2-gehalte'
iupac name: carbon dioxide @en

dibutyltindichloride
type: ChemicalCompound
type: Concept
inchi: InChI=1S/2C4H9.2Cl.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;;;
cas number: 683-18-1
smiles: 0
iupac name: dibutyl-dichlorostannane @en
inchikey: QBJCDRCOQAVMJK-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: 0
type: ChemicalSubstance

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

gadoxeetzuur
broader: CHEMONTID_0002995
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
cas number: 135326-11-3
type: ChemicalCompound
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]
pubchem: 219084
inchikey: PCZHWPSNPWAQNF-LMOVPXPDSA-K
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
formula: C23H30GdN3O11
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: gadxzr

dipentylftalaat
inchikey: IPKKHRVROFYTEK-UHFFFAOYSA-N
iupac name: dipentyl benzene-1,2-dicarboxylate @en
type: ChemicalCompound
type: ChemicalSubstance
alternative label: di-n-pentylftalaat
pubchem: 8561
broader: CHEMONTID_0001350
cas number: 131-18-0
notation: DC5yFt
type: Concept
smiles: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
in scheme: Conceptschema Chemische Stoffen
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
formula: C18H26O4

isazofos
cas number: 65357-77-9
formula: C9H17ClN3O3PS
inchikey: XRHGWAGWAHHFLF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004623
type: ChemicalCompound
type: Concept
pubchem: 39223
iupac name: (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane @en
type: ChemicalSubstance
cas number: 42509-80-8
cas number: 57425-06-6
notation: iszfs
smiles: CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C

tetradifon
inchikey: MLGCXEBRWGEOQX-UHFFFAOYSA-N
pubchem: 8305
type: ChemicalSubstance
formula: C12H6Cl4O2S
type: ChemicalCompound
iupac name: 1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004233
type: Concept
cas number: 116-29-0
notation: T4Dfn
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

2,4-di-tertiair-butylfenol
pubchem: 7311
iupac name: 2,4-ditert-butylphenol @en
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
formula: C14H22O
type: Concept
cas number: 96-76-4
type: ChemicalCompound
inchikey: ICKWICRCANNIBI-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 50356-26-8
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
notation: 24DttC4yFol
smiles: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C

chloralhydraat
alternative label: trichlooracetal-dehyde-hydraat
pubchem: 2707
notation: Clahdt
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002608
alternative label: trichlooracetaldehyde-hydraat
inchikey: RNFNDJAIBTYOQL-UHFFFAOYSA-N
smiles: C(C(Cl)(Cl)Cl)(O)O
cas number: 302-17-0
iupac name: 2,2,2-Trichloroethane-1,1-diol @en
cas number: 109128-19-0
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
formula: C2H3Cl3O2

ethylparathion
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
broader: CHEMONTID_0004748
cas number: 110616-89-2
cas number: 11111-91-4
cas number: 56-38-2
notation: C2yprton
type: Concept
formula: C10H14NO5PS
in scheme: Conceptschema Chemische Stoffen
alternative label: parathion-ethyl
cas number: 8057-70-3
inchikey: LCCNCVORNKJIRZ-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 991
smiles: CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
type: ChemicalSubstance

9-fluorenon
type: ChemicalCompound
formula: C13H8O
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C2=O
iupac name: Fluoren-9-one @en
inchikey: YLQWCDOCJODRMT-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 486-25-9
pubchem: 10241
inchi: InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
in scheme: Conceptschema Chemische Stoffen
notation: 9fluornn
broader: CHEMONTID_0000020
type: Concept

cyclohexadecaan
broader: CHEMONTID_0001016
notation: cycC16a
smiles: C1CCCCCCCCCCCCCCC1
cas number: 295-65-8
inchikey: JJWIOXUMXIOXQN-UHFFFAOYSA-N
formula: C16H32
type: ChemicalCompound
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
type: Concept
pubchem: 67526
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

antimoon 127
broader: CHEMONTID_0000431
inchikey: WATWJIUSRGPENY-BKFZFHPZSA-N
type: Concept
smiles: [Sb]
in scheme: Conceptschema Chemische Stoffen
cas number: 13968-50-8
pubchem: 6335314
iupac name: antimony-127 @en
inchi: InChI=1S/Sb/i1+5
type: ChemicalSubstance
type: ChemicalCompound
formula: Sb
notation: Sb127

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

dicofol
iupac name: 2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethanol @en
cas number: 115-32-2
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 8268
formula: C14H9Cl5O
notation: Dcfl
inchikey: UOAMTSKGCBMZTC-UHFFFAOYSA-N
type: Concept
alternative label: p,p’-dicofol
type: ChemicalSubstance
broader: CHEMONTID_0000369

1,4-dinitrobenzeen
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
pubchem: 7492
type: Concept
inchi: InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
inchikey: FYFDQJRXFWGIBS-UHFFFAOYSA-N
smiles: C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]
notation: 14DNO2Ben
type: ChemicalSubstance
cas number: 100-25-4
type: ChemicalCompound
iupac name: 1,4-Dinitrobenzene @en
formula: C6H4N2O4

fenamifos
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]propan-2-amine @en
type: ChemicalSubstance
broader: CHEMONTID_0004742
cas number: 22224-92-6
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)
pubchem: 31070
notation: fenamfs
type: Concept
formula: C13H22NO3PS
inchikey: ZCJPOPBZHLUFHF-UHFFFAOYSA-N
smiles: CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C

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

succinaldehyde
smiles: C(CC=O)C=O
inchi: InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2
type: ChemicalSubstance
inchikey: PCSMJKASWLYICJ-UHFFFAOYSA-N
notation: succAh
formula: C4H6O2
cas number: 638-37-9
type: ChemicalCompound
iupac name: BUTANEDIAL @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 12524
broader: CHEMONTID_0002434

endosulfansulfaat
type: ChemicalCompound
cas number: 1031-07-8
cas number: 6749-25-3
broader: CHEMONTID_0001184
formula: C9H6Cl6O4S
pubchem: 13940
notation: endsfSO4
inchikey: AAPVQEMYVNZIOO-UHFFFAOYSA-N
type: ChemicalSubstance
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
type: Concept
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
cas number: 87695-43-0
in scheme: Conceptschema Chemische Stoffen

chlorofyl-b
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
type: ChemicalSubstance
inchikey: NSMUHPMZFPKNMZ-FCFLHPMBSA-M
type: Concept
type: ChemicalCompound
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
notation: CHLFb
formula: C55H70MgN4O6
in scheme: Conceptschema Chemische Stoffen
cas number: 519-62-0

2,4,6-trimethylfenol
type: ChemicalSubstance
notation: 246TC1yFol
type: Concept
inchi: InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0001275
pubchem: 10698
iupac name: 2,4,6-TRIMETHYLPHENOL @en
smiles: CC1=CC(=C(C(=C1)C)O)C
cas number: 527-60-6
formula: C9H12O
inchikey: BPRYUXCVCCNUFE-UHFFFAOYSA-N

memantine
type: ChemicalSubstance
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
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000469
type: Concept
type: ChemicalCompound
cas number: 51052-62-1
smiles: CC12CC3CC(C1)(CC(C3)(C2)N)C
cas number: 19982-08-2
iupac name: 3,5-dimethyladamantan-1-amine @en
notation: memtne
pubchem: 4054
inchikey: BUGYDGFZZOZRHP-UHFFFAOYSA-N
formula: C12H21N

2,5-dihydro-2,5-dimethoxyfuran
in scheme: Conceptschema Chemische Stoffen
cas number: 332-77-4
inchi: InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3
type: Concept
broader: CHEMONTID_0001983
smiles: COC1C=CC(O1)OC
formula: C6H10O3
notation: 25DHOx25DC1o
inchikey: WXFWXFIWDGJRSC-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 2,5-DIMETHOXY-2,5-DIHYDROFURAN @en
type: ChemicalSubstance
pubchem: 78974

2-methyl-2-thiazoline
in scheme: Conceptschema Chemische Stoffen
inchikey: JUIQOABNSLTJSW-UHFFFAOYSA-N
iupac name: 2-methyl-4,5-dihydro-1,3-thiazole @en
smiles: CC1=NCCS1
cas number: 2346-00-1
type: Concept
broader: CHEMONTID_0000229
inchi: InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 16867
notation: 2C1y2tazlne
formula: C4H7NS

calcium 47
formula: Ca
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
smiles: [Ca]
notation: Ca47
iupac name: calcium-47 @en
inchikey: OYPRJOBELJOOCE-RKEGKUSMSA-N
inchi: InChI=1S/Ca/i1+7
broader: CHEMONTID_0000428
type: ChemicalSubstance
cas number: 14391-99-2
pubchem: 6335803

1-hexadecanol
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: BXWNKGSJHAJOGX-UHFFFAOYSA-N
cas number: 55069-45-9
cas number: 36653-82-4
smiles: CCCCCCCCCCCCCCCCO
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
cas number: 8014-51-5
cas number: 8032-89-1
cas number: 124-29-8
notation: 1C16ol
formula: C16H34O
broader: CHEMONTID_0002951
cas number: 8023-37-8
cas number: 8032-16-4
type: ChemicalCompound
pubchem: 2682
cas number: 36311-34-9
type: Concept
iupac name: Hexadecan-1-ol @en
cas number: 8032-17-5

zuurstof18 water
iupac name: oxidane @en
type: ChemicalCompound
type: Concept
inchi: InChI=1S/H2O/h1H2
inchikey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
smiles: O
pubchem: 962
broader: CHEMONTID_0000434
type: ChemicalSubstance
formula: H2O
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
notation: O18-H2O
in scheme: Conceptschema Chemische Stoffen

pyrimethanil
pubchem: 91650
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)
type: ChemicalSubstance
notation: pyrmtnl
inchikey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
type: Concept
broader: CHEMONTID_0000284
smiles: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
iupac name: 4,6-dimethyl-N-phenylpyrimidin-2-amine @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 53112-28-0
formula: C12H13N3

valsartan
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 60846
iupac name: (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid @en
notation: valstan
inchikey: ACWBQPMHZXGDFX-QFIPXVFZSA-N
cas number: 137862-53-4
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
broader: CHEMONTID_0004310
type: Concept
formula: C24H29N5O3

cerium 144
inchikey: GWXLDORMOJMVQZ-RNFDNDRNSA-N
inchi: InChI=1S/Ce/i1+4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
pubchem: 26874
broader: CHEMONTID_0000429
iupac name: cerium-144 @en
notation: Ce144
smiles: [Ce]
type: ChemicalSubstance
formula: Ce
cas number: 14762-78-8

ruthenium 106
cas number: 13967-48-1
type: Concept
type: ChemicalSubstance
notation: Ru106
inchikey: KJTLSVCANCCWHF-BKFZFHPZSA-N
formula: Ru
smiles: [Ru]
broader: CHEMONTID_0000426
iupac name: ruthenium-106 @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchi: InChI=1S/Ru/i1+5
pubchem: 26359

nonylfenoldiethoxylaat
type: Concept
cas number: 106400-82-2
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
formula: C19H32O3
notation: NPEO2
inchikey: RRLGETDMEIMLQU-UHFFFAOYSA-N
pubchem: 3032832
type: ChemicalSubstance
cas number: 27176-93-8
type: ChemicalCompound
iupac name: 2-[2-(2-nonylphenoxy)ethoxy]ethanol @en
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCO
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen

diethyleendiamine
notation: DC2yeDAe
iupac name: Piperazine @en
type: ChemicalSubstance
pubchem: 4837
inchi: InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
cas number: 8057-14-5
formula: C4H10N2
cas number: 81546-15-8
cas number: 8027-81-4
broader: CHEMONTID_0000189
smiles: C1CNCCN1
cas number: 110-85-0
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: GLUUGHFHXGJENI-UHFFFAOYSA-N
type: Concept
cas number: 8017-90-1

oestron
type: ChemicalSubstance
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
cas number: 37242-41-4
formula: C18H22O2
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
cas number: 53-16-7
inchikey: DNXHEGUUPJUMQT-CBZIJGRNSA-N
type: Concept
notation: oestn
broader: CHEMONTID_0003570
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

1,2-difenoxyethaan
notation: 12DfenOxC2a
cas number: 104-66-5
iupac name: 2-(phenoxy)ethoxybenzene @en
type: ChemicalSubstance
pubchem: 7713
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002341
type: Concept
inchikey: XCSGHNKDXGYELG-UHFFFAOYSA-N
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
smiles: C1=CC=C(C=C1)OCCOC2=CC=CC=C2
type: ChemicalCompound

sulfaminezuur
formula: H3NO3S
type: ChemicalCompound
inchi: InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
inchikey: IIACRCGMVDHOTQ-UHFFFAOYSA-N
smiles: NS(=O)(=O)O
iupac name: Sulfamic acid @en
cas number: 5329-14-6
pubchem: 5987
broader: CHEMONTID_0000554
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
notation: sulfAezr
type: Concept

omeprazol
notation: ompzl
in scheme: Conceptschema Chemische Stoffen
formula: C17H19N3O3S
iupac name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole @en
type: Concept
cas number: 131959-78-9
pubchem: 4594
cas number: 73590-58-6
inchikey: SUBDBMMJDZJVOS-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 172964-80-6
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)
broader: CHEMONTID_0001891
type: ChemicalSubstance

marbofloxacine
type: ChemicalSubstance
pubchem: 60651
type: ChemicalCompound
cas number: 115550-35-1
in scheme: Conceptschema Chemische Stoffen
inchikey: BPFYOAJNDMUVBL-UHFFFAOYSA-N
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
formula: C17H19FN4O4
broader: CHEMONTID_0002552
type: Concept
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)

2,4,6-tri-tert-butylfenol
inchikey: PFEFOYRSMXVNEL-UHFFFAOYSA-N
cas number: 50356-20-2
type: ChemicalCompound
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
cas number: 19879-87-9
cas number: 53320-88-0
pubchem: 12902
notation: 246TttC4yFol
type: ChemicalSubstance
iupac name: 2,4,6-tritert-butylphenol @en
in scheme: Conceptschema Chemische Stoffen
formula: C18H30O
cas number: 1333-60-4
broader: CHEMONTID_0002811
cas number: 732-26-3
type: Concept
cas number: 11100-56-4

2-methoxyethanol
cas number: 193008-24-1
cas number: 72664-19-8
iupac name: 2-Methoxyethanol @en
cas number: 189209-93-6
formula: C3H8O2
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
inchikey: XNWFRZJHXBZDAG-UHFFFAOYSA-N
cas number: 69592-91-2
is referenced by: LUC IV 003
inchi: InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
cas number: 142172-77-8
cas number: 163294-10-8
cas number: 104841-59-0
comment: VLAR II bijl. 4.4.2
cas number: 166441-82-3
cas number: 195970-98-0
notation: 2C1oxC2ol
is referenced by: LUC IV 000
cas number: 64543-87-9
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 012
broader: CHEMONTID_0001167
cas number: 9004-74-4
cas number: 165338-17-0
cas number: 109-86-4
cas number: 146162-92-7
smiles: COCCO
type: ChemicalSubstance
pubchem: 8019
type: ChemicalCompound
type: Concept
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

ethylmethacrylaat
cas number: 97-63-2
pubchem: 7343
formula: C6H10O2
type: ChemicalSubstance
cas number: 187170-02-1
alternative label: ethylmetacrylaat
type: Concept
cas number: 128440-92-6
iupac name: ethyl 2-methylprop-2-enoate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003626
cas number: 61584-93-8
cas number: 137431-11-9
cas number: 179799-95-2
smiles: CCOC(=O)C(=C)C
type: ChemicalCompound
inchi: InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3
cas number: 133775-64-1
cas number: 9003-42-3
notation: C2ymtclt
inchikey: SUPCQIBBMFXVTL-UHFFFAOYSA-N

ruthenium
type: Concept
type: ChemicalCompound
iupac name: RUTHENIUM @en
type: ChemicalSubstance
notation: Ru
pubchem: 23950
inchi: InChI=1S/Ru
cas number: 57572-01-7
smiles: [Ru]
formula: Ru
broader: CHEMONTID_0000426
inchikey: KJTLSVCANCCWHF-UHFFFAOYSA-N
cas number: 100041-48-3
in scheme: Conceptschema Chemische Stoffen
cas number: 7440-18-8

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

fenoxaprop-p
in scheme: Conceptschema Chemische Stoffen
cas number: 73519-55-8
inchikey: MPPOHAUSNPTFAJ-UHFFFAOYSA-N
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)
pubchem: 86134
type: Concept
formula: C16H12ClNO5
type: ChemicalSubstance
alternative label: fenoxaprop-P
notation: fenoxppP
iupac name: 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid @en
broader: CHEMONTID_0004674
cas number: 108093-88-5
cas number: 95617-09-7
cas number: 113158-40-0
type: ChemicalCompound

tripropylfosfaat
broader: CHEMONTID_0003460
formula: C9H21O4P
cas number: 513-08-6
type: Concept
type: ChemicalCompound
inchikey: RXPQRKFMDQNODS-UHFFFAOYSA-N
pubchem: 10546
smiles: CCCOP(=O)(OCCC)OCCC
notation: TC3yPO4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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

Isopropylamine
type: ChemicalCompound
type: ChemicalSubstance
notation: iC3yAe
smiles: CC(C)N
inchi: InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000469
inchikey: JJWLVOIRVHMVIS-UHFFFAOYSA-N
formula: C3H9N
cas number: 85404-24-6
iupac name: propan-2-amine @en
pubchem: 6363
cas number: 75-31-0
type: Concept

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

trimethylammoniumchloride
type: ChemicalSubstance
inchi: InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H
type: Concept
cas number: 593-81-7
type: ChemicalCompound
formula: C3H10ClN
pubchem: 11649
inchikey: SZYJELPVAFJOGJ-UHFFFAOYSA-N
notation: TC1yNH4Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-dimethylmethanamine hydrochloride @en
smiles: C[NH+](C)C.[Cl-]
broader: CHEMONTID_0002239

dimethyl arseenzuur
type: Concept
inchi: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
type: ChemicalSubstance
iupac name: Dimethylarsinic acid @en
smiles: C[As](=O)(C)O
notation: DC1yAszr
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0004239
pubchem: 2513
cas number: 58114-73-1
cas number: 11126-73-1
alternative label: dimethylarseenzuur
formula: C2H7AsO2
cas number: 75-60-5
cas number: 917-76-0
cas number: 8073-10-7
inchikey: OGGXGZAMXPVRFZ-UHFFFAOYSA-N

hexanal
type: Concept
formula: C6H12O
iupac name: Hexanal @en
inchi: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
cas number: 66-25-1
type: ChemicalCompound
pubchem: 6184
smiles: CCCCCC=O
broader: CHEMONTID_0002229
in scheme: Conceptschema Chemische Stoffen
notation: C6al
type: ChemicalSubstance
inchikey: JARKCYVAAOWBJS-UHFFFAOYSA-N

di-(2-methoxyethyl)ftalaat
cas number: 117-82-8
type: ChemicalCompound
iupac name: bis(2-methoxyethyl) benzene-1,2-dicarboxylate @en
broader: CHEMONTID_0001350
type: ChemicalSubstance
inchikey: HSUIVCLOAAJSRE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: D2C1oxC2yFt
type: Concept
formula: C14H18O6
smiles: COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
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
pubchem: 8344

joodpropynylbutylcarbamaat
formula: C8H12INO2
type: ChemicalCompound
pubchem: 62097
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-iodoprop-2-ynyl N-butylcarbamate @en
cas number: 161849-41-8
cas number: 55406-53-6
inchikey: WYVVKGNFXHOCQV-UHFFFAOYSA-N
cas number: 104732-42-5
broader: CHEMONTID_0002285
cas number: 84826-91-5
smiles: CCCCNC(=O)OCC#CI
cas number: 85045-09-6
notation: IppnC4ycbmt
inchi: InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)
type: ChemicalSubstance
type: Concept

2,2',3,4',5,5',6-heptachloorbifenyl
cas number: 52663-68-0
type: ChemicalCompound
formula: C12H3Cl7
pubchem: 40475
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
notation: PCB187
iupac name: 1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenyl)benzene @en
broader: CHEMONTID_0003030
inchikey: UDMZPLROONOSEF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance

c.i. direct brown 95
type: ChemicalSubstance
broader: CHEMONTID_0003370
pubchem: 9570322
type: Concept
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-;;;
inchikey: YSIIVKXVQXRKAN-LRAZUDBQSA-J
formula: C31H18CuN6Na2O9S
type: ChemicalCompound
cas number: 16071-86-6
cas number: 76199-83-2
cas number: 39403-88-8
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
notation: cidbn95
cas number: 58601-87-9
alternative label: C.I. Direct Brown 95
in scheme: Conceptschema Chemische Stoffen
cas number: 10300-74-0

spinosad
type: ChemicalSubstance
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
inchikey: RQOIAWYOVOXMST-UHFFFAOYSA-N
notation: spinsd
in scheme: Conceptschema Chemische Stoffen
cas number: 168316-95-8
type: ChemicalCompound
type: Concept
formula: C42H71NO9
broader: CHEMONTID_0001675
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
pubchem: 91782

2,5-furaandion
smiles: C1=CC(=O)OC1=O
formula: C4H2O3
cas number: 224641-15-0
type: ChemicalCompound
type: Concept
cas number: 224641-13-8
type: ChemicalSubstance
iupac name: furan-2,5-dione @en
inchi: InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
cas number: 108-31-6
notation: 25furDon
pubchem: 7923
cas number: 24937-72-2
cas number: 224641-16-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002223
inchikey: FPYJFEHAWHCUMM-UHFFFAOYSA-N
cas number: 184288-31-1

2,3,4,6-tetrachloorfenol
inchikey: VGVRPFIJEJYOFN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 6028
iupac name: 2,3,4,6-Tetrachlorophenol @en
type: ChemicalCompound
type: ChemicalSubstance
formula: C6H2Cl4O
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl
type: Concept
cas number: 12698-64-5
notation: 2346T4ClFol
cas number: 58-90-2
broader: CHEMONTID_0002772
inchi: InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H

4-methylaniline
cas number: 26915-12-8
formula: C7H9N
smiles: CC1=CC=C(C=C1)N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: RZXMPPFPUUCRFN-UHFFFAOYSA-N
iupac name: 4-Methylaniline @en
cas number: 106-49-0
cas number: 12221-03-3
cas number: 25640-74-8
broader: CHEMONTID_0003964
pubchem: 7813
notation: 4C1yAn
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3

lenacil
iupac name: 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[e]pyrimidine-2,4-dione @en
cas number: 2164-08-1
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)
inchikey: ZTMKADLOSYKWCA-UHFFFAOYSA-N
pubchem: 16559
type: ChemicalCompound
smiles: C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O
type: ChemicalSubstance
notation: lencl
formula: C13H18N2O2
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004161

2-aminonaftaleen-1,5-disulfonzuur
notation: 2AoNaf15Dsfz
cas number: 117-62-4
iupac name: 2-Aminonaphthalene-1,5-disulfonic acid @en
type: ChemicalCompound
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)
pubchem: 8338
broader: CHEMONTID_0003600
type: ChemicalSubstance
inchikey: YAIKCRUPEVOINQ-UHFFFAOYSA-N
formula: C10H9NO6S2
in scheme: Conceptschema Chemische Stoffen
type: Concept

difluor
type: ChemicalCompound
cas number: 7782-41-4
inchi: InChI=1S/F2/c1-2
type: ChemicalSubstance
pubchem: 24524
notation: F2
formula: F2
type: Concept
smiles: FF
iupac name: molecular fluorine @en
broader: CHEMONTID_0000432
inchikey: PXGOKWXKJXAPGV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 28077-97-6

haloxyfop-ethoxyethyl
type: ChemicalSubstance
notation: halOxfC2oxC2
inchikey: MIJLZGZLQLAQCM-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
formula: C19H19ClF3NO5
pubchem: 91743
iupac name: 2-ethoxyethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
broader: CHEMONTID_0004677
cas number: 126518-70-5
cas number: 87237-48-7
in scheme: Conceptschema Chemische Stoffen

dazomet natriumzout
inchikey: NDYULEPTCXJCJM-UHFFFAOYSA-N
inchi: InChI=1S/C5H9N2S2.Na/c1-6-3-7(2)5(8)9-4-6;/h4H,3H2,1-2H3;/q-1;+1
formula: C5H9N2NaS2
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: Sodium 3,5-dimethyl-1,3,5-thiadiazinane-2-thione @en
cas number: 53404-60-7
notation: dazmNazt
broader: CHEMONTID_0003094
type: ChemicalSubstance
smiles: CN1CN(C(=S)S[CH-]1)C.[Na+]
type: ChemicalCompound
pubchem: 6399257

jodium 129
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000548
inchikey: XMBWDFGMSWQBCA-NJFSPNSNSA-N
notation: I129
smiles: I
inchi: InChI=1S/HI/h1H/i1+2
type: Concept
formula: HI
cas number: 15046-84-1
iupac name: Iodane-129 @en
pubchem: 6433622
type: ChemicalCompound
type: ChemicalSubstance

pyraclostrobin
iupac name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate @en
type: ChemicalCompound
formula: C19H18ClN3O4
inchikey: HZRSNVGNWUDEFX-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 6422843
broader: CHEMONTID_0002019
notation: pyrcsbn
type: Concept
cas number: 175013-18-0
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
in scheme: Conceptschema Chemische Stoffen

carpropamide
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001099
type: ChemicalSubstance
iupac name: 2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide @en
formula: C15H18Cl3NO
inchikey: RXDMAYSSBPYBFW-UHFFFAOYSA-N
pubchem: 153847
type: Concept
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)
type: ChemicalCompound
cas number: 104030-54-8
notation: carppAd

dichlofenthion
cas number: 11137-49-8
formula: C10H13Cl2O3PS
broader: CHEMONTID_0004748
pubchem: 7328
type: ChemicalCompound
type: Concept
cas number: 97-17-6
iupac name: (2,4-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane @en
notation: Dcfton
in scheme: Conceptschema Chemische Stoffen
inchikey: WGOWCPGHOCIHBW-UHFFFAOYSA-N
smiles: CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
type: ChemicalSubstance

enrofloxacine
pubchem: 71188
inchikey: SPFYMRJSYKOXGV-UHFFFAOYSA-N
broader: CHEMONTID_0002552
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)
in scheme: Conceptschema Chemische Stoffen
formula: C19H22FN3O3
notation: enrfxcne
cas number: 93106-60-6
type: Concept
iupac name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid @en
type: ChemicalCompound
type: ChemicalSubstance

3-decylacroleine
iupac name: ['tridec-2-enal', '(E)-tridec-2-enal'] @en
inchikey: VMUNAKQXJLHODT-VAWYXSNFSA-N
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000298
cas number: 7069-41-2
formula: C13H24O
pubchem: 5283363
notation: 3C10yacline
cas number: 7774-82-5
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+
type: ChemicalCompound
smiles: CCCCCCCCCCC=CC=O

2-methylnonaan
notation: 2C1yC9a
broader: CHEMONTID_0004620
cas number: 34464-38-5
cas number: 68551-17-7
inchi: InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3
iupac name: 2-Methylnonane @en
smiles: CCCCCCCC(C)C
cas number: 63335-88-6
in scheme: Conceptschema Chemische Stoffen
inchikey: SGVYKUFIHHTIFL-UHFFFAOYSA-N
pubchem: 13379
cas number: 68551-16-6
type: ChemicalSubstance
type: ChemicalCompound
formula: C10H22
cas number: 871-83-0
type: Concept

campesterol
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0001403
inchikey: SGNBVLSWZMBQTH-UHFFFAOYSA-N
type: Concept
formula: C28H48O
pubchem: 312822
notation: campEsrol
cas number: 474-62-4
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
type: ChemicalSubstance
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

goud
type: ChemicalSubstance
inchikey: PCHJSUWPFVWCPO-UHFFFAOYSA-N
iupac name: GOLD @en
cas number: 15456-07-2
in scheme: Conceptschema Chemische Stoffen
notation: Au
cas number: 59597-42-1
type: ChemicalCompound
inchi: InChI=1S/Au
broader: CHEMONTID_0000426
cas number: 33019-35-1
pubchem: 23985
smiles: [Au]
formula: Au
cas number: 7440-57-5
type: Concept

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

n,4-dimethylaniline
type: ChemicalCompound
alternative label: N,4-dimethylaniline
cas number: 623-08-5
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 12165
notation: N4DC1yAn
broader: CHEMONTID_0003964
inchi: InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3
smiles: CC1=CC=C(C=C1)NC
type: Concept
formula: C8H11N
inchikey: QCIFLGSATTWUQJ-UHFFFAOYSA-N
iupac name: N,4-DIMETHYLANILINE @en

isosafrol
inchikey: VHVOLFRBFDOUSH-NSCUHMNNSA-N
pubchem: 637796
notation: isfl
broader: CHEMONTID_0000296
smiles: CC=CC1=CC2=C(C=C1)OCO2
type: ChemicalCompound
cas number: 4043-71-4
type: ChemicalSubstance
cas number: 120-58-1
iupac name: ['5-Prop-1-enyl-1,3-benzodioxole', '5-[(E)-prop-1-enyl]-1,3-benzodioxole'] @en
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+
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 191281-03-5

fluoreen
cas number: 86-73-7
iupac name: 9H-Fluorene @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000020
type: ChemicalSubstance
type: Concept
notation: Fle
cas number: 84987-80-4
smiles: C1C2=CC=CC=C2C3=CC=CC=C31
inchi: InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
is referenced by: LUC VI 001
formula: C13H10
type: ChemicalCompound
inchikey: NIHNNTQXNPWCJQ-UHFFFAOYSA-N
pubchem: 6853
cas number: 2299-68-5

1-chloorhexadecaan
broader: CHEMONTID_0001516
inchikey: CLWAXFZCVYJLLM-UHFFFAOYSA-N
formula: C16H33Cl
type: ChemicalCompound
iupac name: 1-Chlorohexadecane @en
cas number: 4860-03-1
type: ChemicalSubstance
notation: 1ClC16a
type: Concept
pubchem: 20993
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
smiles: CCCCCCCCCCCCCCCCCl

nonacosaan
formula: C29H60
notation: C29a
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
iupac name: Nonacosane @en
cas number: 630-03-5
pubchem: 12409
broader: CHEMONTID_0002500
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
inchikey: IGGUPRCHHJZPBS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

5,6-dimethyl-1h-benzotriazool
notation: 56DC1y1Hbzt2
broader: CHEMONTID_0000315
pubchem: 77849
in scheme: Conceptschema Chemische Stoffen
alternative label: 5,6-dimethyl-1H-benzotriazool
formula: C8H9N3
type: ChemicalCompound
inchikey: MVPKIPGHRNIOPT-UHFFFAOYSA-N
iupac name: 5,6-dimethyl-2H-benzotriazole @en
smiles: CC1=CC2=NNN=C2C=C1C
type: Concept
type: ChemicalSubstance
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)
cas number: 4184-79-6

3,4-dichloorfenol
notation: 34DClFol
pubchem: 7258
cas number: 95-77-2
iupac name: 3,4-Dichlorophenol @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
formula: C6H4Cl2O
broader: CHEMONTID_0002564
type: ChemicalSubstance
type: ChemicalCompound
inchikey: WDNBURPWRNALGP-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1O)Cl)Cl

curium 247
type: Concept
cas number: 15758-32-4
inchi: InChI=1S/Cm/i1+0
inchikey: NIWWFAAXEMMFMS-IGMARMGPSA-N
formula: Cm
type: ChemicalSubstance
notation: Cm247
iupac name: curium-247 @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 167403
smiles: [Cm]

mancozeb
pubchem: 91570
in scheme: Conceptschema Chemische Stoffen
smiles: C(CN=C(S)[S-])N=C(S)[S-].C(CN=C(S)[S-])N=C(S)[S-].[Mn+2].[Zn+2]
cas number: 12656-69-8
iupac name: zinc; manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en
inchikey: CHNQZRKUZPNOOH-UHFFFAOYSA-J
type: ChemicalCompound
broader: CHEMONTID_0004177
notation: manczb
type: ChemicalSubstance
cas number: 172672-41-2
formula: C8H12MnN4S8Zn
cas number: 8018-01-7
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
type: Concept

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

lood 214
inchikey: WABPQHHGFIMREM-RKEGKUSMSA-N
broader: CHEMONTID_0000427
in scheme: Conceptschema Chemische Stoffen
smiles: [Pb]
inchi: InChI=1S/Pb/i1+7
formula: Pb
type: ChemicalSubstance
notation: Pb214
type: Concept
cas number: 15067-28-4
type: ChemicalCompound
pubchem: 6328551
iupac name: lead-214 @en

ceftriaxon
pubchem: 9570832
cas number: 73384-59-5
cas number: 74578-69-1
formula: C18H17N8NaO7S3
in scheme: Conceptschema Chemische Stoffen
inchikey: YOBPSXOHCHDCMU-VKZZUTNHSA-M
broader: CHEMONTID_0001189
type: Concept
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
notation: cefTaxn
type: ChemicalCompound
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
type: ChemicalSubstance

kobalt 60
smiles: [Co]
type: ChemicalCompound
cas number: 10198-40-0
inchi: InChI=1S/Co/i1+1
broader: CHEMONTID_0000426
inchikey: GUTLYIVDDKVIGB-OUBTZVSYSA-N
pubchem: 61492
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: cobalt-60 @en
notation: Co60
formula: Co

citral
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: citl
inchikey: WTEVQBCEXWBHNA-JXMROGBWSA-N
iupac name: ['(2E)-3,7-dimethylocta-2,6-dienal', '3,7-dimethylocta-2,6-dienal'] @en
broader: CHEMONTID_0001127
type: ChemicalCompound
cas number: 37350-34-8
cas number: 96680-15-8
pubchem: 638011
smiles: CC(=CCCC(=CC=O)C)C
cas number: 8022-94-4
cas number: 141-27-5
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+
cas number: 5392-40-5
type: ChemicalSubstance

1-undeceen
cas number: 68526-57-8
inchi: InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
broader: CHEMONTID_0004476
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 821-95-4
type: Concept
notation: 1C11e
smiles: CCCCCCCCCC=C
pubchem: 13190
iupac name: undec-1-ene @en
inchikey: DCTOHCCUXLBQMS-UHFFFAOYSA-N
formula: C11H22
cas number: 10-01-5

dinotefuran
cas number: 165252-70-0
type: ChemicalCompound
pubchem: 197701
broader: CHEMONTID_0004667
iupac name: 2-methyl-3-nitro-1-(oxolan-3-ylmethyl)guanidine @en
type: Concept
inchikey: YKBZOVFACRVRJN-UHFFFAOYSA-N
smiles: CN=C(NCC1CCOC1)N[N+](=O)[O-]
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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)
formula: C7H14N4O3
notation: Dntfrn

californium
type: ChemicalCompound
smiles: [Cf]
cas number: 7440-71-3
inchikey: HGLDOAKPQXAFKI-UHFFFAOYSA-N
cas number: 22541-43-1
inchi: InChI=1S/Cf
formula: Cf
type: Concept
notation: Cf
pubchem: 23997
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000430
type: ChemicalSubstance
iupac name: CALIFORNIUM @en

cis-1,2-dichloorpropeen
broader: CHEMONTID_0002863
type: ChemicalCompound
alternative label: trans-1,3-dichloorpropeen
notation: t13DClC3e
cas number: 8022-76-2
smiles: C(C=CCl)Cl
type: Concept
notation: c12DClC3e
pubchem: 24726
type: ChemicalSubstance
inchi: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
inchikey: UOORRWUZONOOLO-OWOJBTEDSA-N
iupac name: ['(E)-1,3-dichloroprop-1-ene', '1,3-dichloroprop-1-ene'] @en
cas number: 68525-58-6
cas number: 6923-20-2
formula: C3H4Cl2
cas number: 10061-02-6
in scheme: Conceptschema Chemische Stoffen

4-vinyl-1-cyclohexeen
pubchem: 7499
formula: C8H12
type: ChemicalSubstance
notation: 4vn1ccC6e
iupac name: 4-Ethenylcyclohexene @en
broader: CHEMONTID_0000017
cas number: 92619-43-7
type: Concept
inchikey: BBDKZWKEPDTENS-UHFFFAOYSA-N
cas number: 100-40-3
type: ChemicalCompound
inchi: InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
smiles: C=CC1CCC=CC1
in scheme: Conceptschema Chemische Stoffen

guazatine
inchikey: RONFGUROBZGJKP-UHFFFAOYSA-N
notation: guaztne
smiles: C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000375
cas number: 79956-56-2
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)
formula: C18H41N7
cas number: 13516-27-3
pubchem: 3526
type: ChemicalCompound
cas number: 108173-90-6
type: Concept
type: ChemicalSubstance

dibenzo(a,h)anthraceen
broader: CHEMONTID_0000025
cas number: 56-56-4
formula: C22H14
iupac name: naphtho[1,2-b]phenanthrene @en
in scheme: Conceptschema Chemische Stoffen
inchikey: LHRCREOYAASXPZ-UHFFFAOYSA-N
alternative label: dibenzo(a,h)an-traceen
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
notation: DBahAnt
type: Concept
comment: VLAR II (D2)
alternative label: dibenzo(a,h)antraceen
pubchem: 5889
is referenced by: LUC VI 001
cas number: 53-70-3
comment: VLAR II bijl. 4.4.2
type: ChemicalSubstance
type: ChemicalCompound

fenbuconazool
broader: CHEMONTID_0003467
pubchem: 86138
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
cas number: 119611-00-6
iupac name: 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile @en
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
inchikey: RQDJADAKIFFEKQ-UHFFFAOYSA-N
notation: fenbcnzl
type: ChemicalSubstance
cas number: 114369-43-6

hexaanzuur
cas number: 68603-84-9
cas number: 13476-79-4
cas number: 67762-36-1
cas number: 53896-26-7
pubchem: 8892
inchi: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
cas number: 16571-42-9
cas number: 19455-00-6
notation: C6azr
formula: C6H12O2
cas number: 8040-17-3
cas number: 142-62-1
iupac name: Hexanoic acid @en
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0003086
inchikey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
cas number: 70248-25-8
type: ChemicalCompound
smiles: CCCCCC(=O)O
type: ChemicalSubstance
cas number: 51109-46-7

2-methyl-2h-isothiazool-3-on
type: ChemicalCompound
notation: 2C1y2Hitaz3o
inchikey: SJXPQSRCFCPWQQ-UHFFFAOYSA-N
smiles: CN1C(=O)C=CS1.Cl
iupac name: 2-methyl-1,2-thiazol-3-one hydrochloride @en
cas number: 2682-20-4
inchi: InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H
in scheme: Conceptschema Chemische Stoffen
cas number: 26172-54-3
broader: CHEMONTID_0000095
pubchem: 117746
type: Concept
alternative label: 2-methyl-2H-isothiazool-3-on
formula: C4H6ClNOS
cas number: 116680-95-6
type: ChemicalSubstance

diethyltoluamide
in scheme: Conceptschema Chemische Stoffen
smiles: CCN(CC)C(=O)C1=CC=CC(=C1)C
inchikey: MMOXZBCLCQITDF-UHFFFAOYSA-N
cas number: 94271-03-1
formula: C12H17NO
pubchem: 4284
notation: DEET
type: ChemicalCompound
iupac name: N,N-Diethyl-3-methylbenzamide @en
cas number: 134-62-3
broader: CHEMONTID_0004223
type: ChemicalSubstance
type: Concept
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

octaan
smiles: CCCCCCCC
notation: C8a
cas number: 111-65-9
inchikey: TVMXDCGIABBOFY-UHFFFAOYSA-N
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
broader: CHEMONTID_0002500
alternative label: n-octaan
pubchem: 356
formula: C8H18
cas number: 50985-84-7
is referenced by: WAC IV A 016
is referenced by: LUC IV 011
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
is referenced by: LUC IV 006
inchi: InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
is referenced by: LUC IV 000
type: ChemicalSubstance
cas number: 31372-91-5
iupac name: octane @en

desogestrel
broader: CHEMONTID_0001466
type: ChemicalSubstance
type: Concept
cas number: 54024-22-5
pubchem: 40973
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
smiles: CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CCCCC34
notation: desgsl
type: ChemicalCompound
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
inchikey: RPLCPCMSCLEKRS-BPIQYHPVSA-N
formula: C22H30O
in scheme: Conceptschema Chemische Stoffen

flupentixol
inchikey: NJMYODHXAKYRHW-DVZOWYKESA-N
formula: C23H25F3N2OS
type: Concept
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-
notation: fluptxl
cas number: 2709-56-0
cas number: 53772-82-0
type: ChemicalCompound
pubchem: 5281881
broader: CHEMONTID_0000199
iupac name: 2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

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

zinkpyrithion
broader: CHEMONTID_0001764
cas number: 51148-10-8
notation: Znprton
cas number: 35430-20-7
type: ChemicalCompound
cas number: 109702-19-4
cas number: 55172-61-7
cas number: 16782-00-6
type: Concept
cas number: 51406-57-6
cas number: 13463-41-7
cas number: 31089-48-2
cas number: 3138-01-0
cas number: 14376-32-0
cas number: 17652-47-0
inchi: InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
cas number: 3590-23-6
cas number: 1192-70-7
cas number: 39412-61-8
cas number: 1320-68-9
pubchem: 26041
iupac name: zinc 1-oxidopyridin-1-ium-2-thiolate @en
cas number: 226883-65-4
formula: C10H8N2O2S2Zn
type: ChemicalSubstance
cas number: 74261-71-5
smiles: C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]
cas number: 208398-70-3
cas number: 118480-78-7
in scheme: Conceptschema Chemische Stoffen
cas number: 15686-64-3
cas number: 244778-79-8
inchikey: OTPSWLRZXRHDNX-UHFFFAOYSA-L
cas number: 192458-89-2
cas number: 162400-43-3

alfa-endosulfan
cas number: 33213-66-0
type: Concept
pubchem: 6433227
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
notation: aedsfn
formula: C9H6Cl6O3S
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002074
cas number: 959-98-8
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
cas number: 12640-58-3
cas number: 19595-59-6
type: ChemicalCompound
inchikey: RDYMFSUJUZBWLH-GDSHQCHSSA-N
type: ChemicalSubstance
cas number: 29106-31-8

acrylonitrile
cas number: 29754-21-0
broader: CHEMONTID_0000362
alternative label: acrylonitril
type: ChemicalCompound
inchikey: NLHHRLWOUZZQLW-UHFFFAOYSA-N
inchi: InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
smiles: C=CC#N
cas number: 63908-52-1
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: prop-2-enenitrile @en
type: Concept
pubchem: 7855
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: 107-13-1
formula: C3H3N
notation: aclntl

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

tetrabroombisfenol a
broader: CHEMONTID_0000143
inchikey: VEORPZCZECFIRK-UHFFFAOYSA-N
alternative label: tetrabroombisfenol-a
cas number: 7300-23-4
cas number: 26446-62-8
cas number: 25639-54-7
cas number: 107719-55-1
pubchem: 6618
cas number: 124779-54-0
cas number: 110670-65-0
cas number: 108608-60-2
cas number: 76341-26-9
type: ChemicalCompound
cas number: 131891-38-8
cas number: 51253-31-7
iupac name: 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol @en
type: Concept
alternative label: tetrabroombisfenol A
cas number: 79-94-7
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C15H12Br4O2
notation: T4BrbFolA
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
cas number: 30496-13-0

1,3-dicyclohexylureum
notation: 13DccC6yurum
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)
inchikey: 7847
type: ChemicalCompound
cas number: 2387-23-7
type: Concept
type: ChemicalSubstance
smiles: C1CCC(CC1)NC(=O)NC2CCCCC2
formula: C13H24N2O
iupac name: 1,3-Dicyclohexylurea @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 4277
broader: CHEMONTID_0000517

ethofenprox
formula: C25H28O3
iupac name: 1-ethoxy-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene @en
pubchem: 71245
broader: CHEMONTID_0004155
cas number: 80844-07-1
type: ChemicalCompound
notation: etfpx
in scheme: Conceptschema Chemische Stoffen
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
inchikey: YREQHYQNNWYQCJ-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept

tereftaalzuur
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)
pubchem: 7489
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C8H6O4
cas number: 211863-90-0
broader: CHEMONTID_0001108
inchikey: KKEYFWRCBNTPAC-UHFFFAOYSA-N
iupac name: Terephthalic acid @en
smiles: C1=CC(=CC=C1C(=O)O)C(=O)O
type: ChemicalCompound
cas number: 100-21-0
notation: terfzr
type: ChemicalSubstance

1,2,3,6,7,8-hexachloordibenzo-p-dioxine
formula: C12H2Cl6O2
pubchem: 42540
alternative label: 1,2,3,6,7,8-hexachloordibenzodioxine
broader: CHEMONTID_0000420
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
type: Concept
alternative label: 1,2,3,6,7,8-hexachloordibenzodioxine (hxcdd)
comment: VLAR II+ bijlagen
iupac name: 1,2,3,6,7,8-hexachlorooxanthrene @en
type: ChemicalCompound
is referenced by: LUC VI 002
inchikey: YCLUIPQDHHPDJJ-UHFFFAOYSA-N
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
type: ChemicalSubstance
alternative label: 1,2,3,6,7,8-hexachloordibenzo-para-dioxine
notation: PCDD67
in scheme: Conceptschema Chemische Stoffen
cas number: 57653-85-7

methazol
type: ChemicalCompound
smiles: CN1C(=O)N(OC1=O)C2=CC(=C(C=C2)Cl)Cl
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
formula: C9H6Cl2N2O3
notation: metzl
broader: CHEMONTID_0002564
pubchem: 4690
iupac name: 2-(3,4-Dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione @en
type: Concept
cas number: 20354-26-1
inchikey: LRUUNMYPIBZBQH-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

2,3,3',4',6-pentachloorbifenyl
cas number: 38380-03-9
iupac name: 1,2,4-trichloro-3-(3,4-dichlorophenyl)benzene @en
broader: CHEMONTID_0003030
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: PCB110
formula: C12H5Cl5
pubchem: 38015
inchikey: ARXHIJMGSIYYRZ-UHFFFAOYSA-N
type: ChemicalCompound

bifenthrin
cas number: 92880-79-0
notation: biftn
type: ChemicalCompound
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-
broader: CHEMONTID_0000041
cas number: 82657-04-3
pubchem: 5281872
inchikey: OMFRMAHOUUJSGP-UNOMPAQXSA-N
type: ChemicalSubstance
formula: C23H22ClF3O2
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
type: Concept
in scheme: Conceptschema Chemische Stoffen

2,2',3,3',4,4',5,6,6'-nonachloorbifenyl
broader: CHEMONTID_0003030
formula: C12HCl9
type: ChemicalSubstance
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4,6-tetrachlorophenyl)benzene @en
pubchem: 91648
cas number: 52663-79-3
notation: PCB207
inchikey: YGDPIDTZOQGPAX-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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
type: Concept

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

perfluoroctaanzuur, ammoniumzout
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
pubchem: 62525
in scheme: Conceptschema Chemische Stoffen
formula: C8H4F15NO2
inchikey: YOALFLHFSFEMLP-UHFFFAOYSA-N
notation: PFOA_NH4
iupac name: azane; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid @en
cas number: 95328-99-7
type: ChemicalCompound
type: ChemicalSubstance
cas number: 3825-26-1
broader: CHEMONTID_0003962
cas number: 77751-76-9
type: Concept

cyclofosfamide
broader: CHEMONTID_0000398
type: ChemicalSubstance
inchikey: CMSMOCZEIVJLDB-UHFFFAOYSA-N
formula: C7H15Cl2N2O2P
cas number: 60007-95-6
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
cas number: 60030-72-0
type: Concept
smiles: C1CNP(=O)(OC1)N(CCCl)CCCl
cas number: 60007-96-7
cas number: 50-18-0
in scheme: Conceptschema Chemische Stoffen
notation: cycffAd
pubchem: 2907
type: ChemicalCompound
cas number: 75526-90-8

perfluor-3-methoxypropaanzuur
broader: CHEMONTID_0003000
pubchem: 120228
type: Concept
inchi: InChI=1S/C4HF7O3/c5-2(6,1(12)13)3(7,8)14-4(9,10)11/h(H,12,13)
type: ChemicalSubstance
smiles: C(=O)(C(C(OC(F)(F)F)(F)F)(F)F)O
notation: PFMOPrA
cas number: 377-73-1
inchikey: AGIMOOYNBDLMJV-UHFFFAOYSA-N
formula: C4HF7O3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid @en

foraat-sulfon
broader: CHEMONTID_0004164
type: ChemicalSubstance
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
type: Concept
type: ChemicalCompound
inchikey: YVPSNUIHHFTTRL-UHFFFAOYSA-N
smiles: CCOP(=S)(OCC)SCS(=O)(=O)CC
in scheme: Conceptschema Chemische Stoffen
notation: forsfn
formula: C7H17O4PS3
cas number: 2588-04-7

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

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

3-ethylfenol
smiles: CCC1=CC(=CC=C1)O
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 3C2yFol
pubchem: 12101
type: ChemicalSubstance
inchikey: HMNKTRSOROOSPP-UHFFFAOYSA-N
iupac name: 3-Ethylphenol @en
type: Concept
broader: CHEMONTID_0004647
inchi: InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
formula: C8H10O
cas number: 620-17-7

camfor
pubchem: 2537
notation: camfr
type: ChemicalCompound
cas number: 8022-77-3
cas number: 8013-55-6
cas number: 21368-68-3
formula: C10H16O
inchi: InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
cas number: 76-22-2
cas number: 48113-22-0
broader: CHEMONTID_0001564
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 68546-28-1
inchikey: DSSYKIVIOFKYAU-UHFFFAOYSA-N
type: Concept
smiles: CC1(C2CCC1(C(=O)C2)C)C
iupac name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one @en

di-isopentylftalaat
formula: C18H26O4
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C
type: Concept
inchikey: JANBFCARANRIKJ-UHFFFAOYSA-N
cas number: 605-50-5
broader: CHEMONTID_0001350
pubchem: 69059
type: ChemicalSubstance
iupac name: bis(3-methylbutyl) benzene-1,2-dicarboxylate @en

2-(perfluoroctyl)ethaan-1-sulfonzuur (8:2 FTS)
cas number: 39108-34-4
notation: 8:2 FTS
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid @en
alternative label: 8:2 fluortelomeersulfonzuur (8:2 fts)
broader: CHEMONTID_0001179
formula: C10H5F17O3S
inchikey: ALVYVCQIFHTIRD-UHFFFAOYSA-N
type: ChemicalSubstance
alternative label: 8:2 fluortelomeersulfonzuur
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)
type: ChemicalCompound
pubchem: 3016044
notation: H-PFC10asfzr

bisfenol-F
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
iupac name: 2-[(2-hydroxyphenyl)methyl]phenol @en
notation: bisFolF
formula: C13H12O2
smiles: C1=CC=C(C(=C1)CC2=CC=CC=C2O)O
inchikey: MQCPOLNSJCWPGT-UHFFFAOYSA-N
type: Concept
cas number: 2467-02-9
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 75575
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

bis(2-methoxyethyl)ether
type: ChemicalCompound
cas number: 111-96-6
cas number: 142939-39-7
smiles: COCCOCCOC
cas number: 70992-86-8
type: ChemicalSubstance
notation: bis2C1oxC2yE
inchikey: SBZXBUIDTXKZTM-UHFFFAOYSA-N
inchi: InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
cas number: 54631-70-8
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001167
pubchem: 8150
iupac name: 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE @en
formula: C6H14O3
type: Concept

pcb 180
cas number: 35065-29-3
type: ChemicalSubstance
alternative label: PCB-180
is referenced by: LUC VI 002
broader: CHEMONTID_0003030
type: ChemicalCompound
formula: C12H3Cl7
pubchem: 37036
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
alternative label: 2,2',3,4,4',5,5'-heptachloorbifenyl
type: Concept
in scheme: Conceptschema Chemische Stoffen
is referenced by: CMA 3 I
notation: PCB180
alternative label: 2,2',3,4,4',5,5'-heptachloorbifenyl (pcb180)
alternative label: pcb-180
inchikey: WBHQEUPUMONIKF-UHFFFAOYSA-N

cerium 139
smiles: [Ce]
type: ChemicalCompound
iupac name: cerium-139 @en
cas number: 13982-30-4
type: ChemicalSubstance
notation: Ce139
type: Concept
formula: Ce
broader: CHEMONTID_0000429
in scheme: Conceptschema Chemische Stoffen
inchikey: GWXLDORMOJMVQZ-BJUDXGSMSA-N
inchi: InChI=1S/Ce/i1-1
pubchem: 166969

metoprolol
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
cas number: 54163-88-1
type: ChemicalCompound
cas number: 51384-51-1
inchikey: IUBSYMUCCVWXPE-UHFFFAOYSA-N
smiles: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O
type: ChemicalSubstance
cas number: 37350-58-6
notation: metpll
in scheme: Conceptschema Chemische Stoffen
formula: C15H25NO3
type: Concept
iupac name: 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
pubchem: 4171
broader: CHEMONTID_0000139

2-methylheptadecaan
smiles: CCCCCCCCCCCCCCCC(C)C
formula: C18H38
type: Concept
inchikey: RJWUMFHQJJBBOD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
notation: 2C1yC17a
broader: CHEMONTID_0004620
cas number: 1560-89-0
iupac name: 2-METHYLHEPTADECANE @en
pubchem: 15265
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

1,1-dimethylhydrazine
iupac name: 1,1-Dimethylhydrazine @en
formula: C2H8N2
broader: CHEMONTID_0004511
notation: 11DC1yhdzne
smiles: CN(C)N
cas number: 88733-28-2
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: RHUYHJGZWVXEHW-UHFFFAOYSA-N
inchi: InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3
cas number: 57-14-7
type: ChemicalSubstance
pubchem: 5976

etheen
formula: C2H4
cas number: 87701-64-2
inchikey: VGGSQFUCUMXWEO-UHFFFAOYSA-N
cas number: 68037-39-8
cas number: 74-85-1
cas number: 9002-88-4
cas number: 33060-30-9
broader: CHEMONTID_0004476
smiles: C=C
pubchem: 6325
iupac name: Ethene @en
inchi: InChI=1S/C2H4/c1-2/h1-2H2
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 87701-65-3
type: ChemicalCompound
type: ChemicalSubstance
notation: C2e

pyridalyl
type: ChemicalSubstance
notation: pyrdll
type: Concept
inchikey: AEHJMNVBLRLZKK-UHFFFAOYSA-N
iupac name: 2-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(trifluoromethyl)pyridine @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C18H14Cl4F3NO3
broader: CHEMONTID_0002564
pubchem: 11488729
cas number: 179101-81-6

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

niacyne
type: Concept
cas number: 123574-58-3
broader: CHEMONTID_0002414
smiles: C1=CC(=CN=C1)C(=O)O
iupac name: Pyridine-3-carboxylic acid @en
type: ChemicalSubstance
inchi: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
type: ChemicalCompound
inchikey: PVNIIMVLHYAWGP-UHFFFAOYSA-N
formula: C6H5NO2
notation: niacne
in scheme: Conceptschema Chemische Stoffen
pubchem: 938
cas number: 59-67-6

cerium 141
in scheme: Conceptschema Chemische Stoffen
inchikey: GWXLDORMOJMVQZ-OUBTZVSYSA-N
notation: Ce141
pubchem: 104814
type: ChemicalCompound
iupac name: cerium-141 @en
type: ChemicalSubstance
cas number: 13967-74-3
type: Concept
broader: CHEMONTID_0000429
inchi: InChI=1S/Ce/i1+1
formula: Ce
smiles: [Ce]

kalium 40
type: ChemicalCompound
inchi: InChI=1S/K/i1+1
inchikey: ZLMJMSJWJFRBEC-OUBTZVSYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: [K]
broader: CHEMONTID_0000425
pubchem: 6328542
iupac name: potassium-40 @en
type: ChemicalSubstance
notation: K40
formula: K
type: Concept
cas number: 13966-00-2

dinatriumtetraboraat
type: ChemicalCompound
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+]
type: ChemicalSubstance
pubchem: 3048787
iupac name: disodium; boron(+3) cation; oxygen(-2) anion; heptahydrate @en
type: Concept
inchi: InChI=1S/4B.2Na.7H2O.7O/h;;;;;;7*1H2;;;;;;;/q4*+3;2*+1;;;;;;;;7*-2
broader: CHEMONTID_0000534
inchikey: HJIQVKXMQOLFFS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 1330-43-4
notation: Na2B4O7
formula: B4H14Na2O14
cas number: 63989-70-8

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

2,3-dimethylfenyl isocyanaat
type: ChemicalCompound
cas number: 1591-99-7
smiles: CC1=C(C(=CC=C1)N=C=O)C
iupac name: 1-Isocyanato-2,3-dimethylbenzene @en
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H9NO/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3
broader: CHEMONTID_0004210
formula: C9H9NO
type: ChemicalSubstance
inchikey: KNHJIEOCVVIBIV-UHFFFAOYSA-N
pubchem: 137096
type: Concept
notation: 23DC1yFyiCN

oxcarbamazepine
broader: CHEMONTID_0000320
notation: oxcbmzpne
in scheme: Conceptschema Chemische Stoffen
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)
type: ChemicalSubstance
inchikey: CTRLABGOLIVAIY-UHFFFAOYSA-N
type: Concept
pubchem: 34312
formula: C15H12N2O2
iupac name: 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide @en
cas number: 28721-07-5
smiles: C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N
type: ChemicalCompound

o-chlooraniline
inchikey: AKCRQHGQIJBRMN-UHFFFAOYSA-N
pubchem: 7240
type: ChemicalSubstance
type: ChemicalCompound
cas number: 27134-26-5
type: Concept
broader: CHEMONTID_0000284
inchi: InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
cas number: 95-51-2
notation: 2ClAn
iupac name: 2-Chloroaniline @en
smiles: C1=CC=C(C(=C1)N)Cl
formula: C6H6ClN
alternative label: 2-chlooraniline
in scheme: Conceptschema Chemische Stoffen

2-trans-4-trans-decadienal
broader: CHEMONTID_0002229
inchikey: JZQKTMZYLHNFPL-BLHCBFLLSA-N
type: ChemicalCompound
type: ChemicalSubstance
formula: C10H16O
smiles: CCCCCC=CC=CC=O
inchi: InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+
pubchem: 5283349
cas number: 30551-18-9
notation: 2t4tDcdeal
type: Concept
iupac name: ['deca-2,4-dienal', '(2E,4E)-deca-2,4-dienal'] @en
in scheme: Conceptschema Chemische Stoffen
cas number: 2363-88-4
cas number: 25152-84-5

cyclohexyl-isothiocyanaat
in scheme: Conceptschema Chemische Stoffen
smiles: C1CCC(CC1)N=C=S
iupac name: ISOTHIOCYANATOCYCLOHEXANE @en
broader: CHEMONTID_0001234
inchi: InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
type: Concept
inchikey: MZSJGCPBOVTKHR-UHFFFAOYSA-N
formula: C7H11NS
pubchem: 14289
type: ChemicalSubstance
cas number: 1122-82-3
type: ChemicalCompound
notation: ccC6yitoCN

salbutamol
type: Concept
inchikey: NDAUXUAQIAJITI-UHFFFAOYSA-N
pubchem: 2083
smiles: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O
in scheme: Conceptschema Chemische Stoffen
formula: C13H21NO3
broader: CHEMONTID_0000033
notation: salbtml
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
cas number: 18559-94-9
type: ChemicalSubstance
type: ChemicalCompound
cas number: 35763-26-9
iupac name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol @en

3,5-dichloornitrobenzeen
pubchem: 12064
cas number: 618-62-2
inchikey: RNABGKOKSBUFHW-UHFFFAOYSA-N
type: ChemicalSubstance
inchi: InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
formula: C6H3Cl2NO2
notation: 13DCl5NO2Ben
cas number: 33150-95-7
iupac name: 1,3-Dichloro-5-nitrobenzene @en
type: ChemicalCompound
smiles: C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]
broader: CHEMONTID_0000036
type: Concept
in scheme: Conceptschema Chemische Stoffen
alternative label: 1,3-dichloor-5-nitrobenzeen

6-fenyldodecaan
cas number: 2719-62-2
inchikey: ZYHJQFMTTFCBKH-UHFFFAOYSA-N
iupac name: dodecan-6-ylbenzene @en
smiles: CCCCCCC(CCCCC)C1=CC=CC=C1
type: ChemicalSubstance
broader: CHEMONTID_0002279
in scheme: Conceptschema Chemische Stoffen
notation: 6FyC12a
type: ChemicalCompound
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
pubchem: 17629
type: Concept
formula: C18H30

methyl-1H-benzotriazool
inchikey: CMGDVUCDZOBDNL-UHFFFAOYSA-N
cas number: 29878-31-7
in scheme: Conceptschema Chemische Stoffen
cas number: 29385-43-1
inchi: InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
formula: C7H7N3
iupac name: 4-methyl-2H-benzotriazole @en
broader: CHEMONTID_0000315
type: ChemicalSubstance
notation: C1y1Hbztazl
type: ChemicalCompound
notation: 4C1y1Hbztazl
smiles: CC1=CC=CC2=NNN=C12
alternative label: 4-methyl-1H-benzotriazool
type: Concept
pubchem: 122499

2,2',4,6-tetrachloorbifenyl
inchi: InChI=1S/C12H6Cl4/c13-7-5-10(15)12(11(16)6-7)8-3-1-2-4-9(8)14/h1-6H
notation: PCB50
type: ChemicalSubstance
pubchem: 44163
broader: CHEMONTID_0003030
smiles: C1=CC=C(C(=C1)C2=C(C=C(C=C2Cl)Cl)Cl)Cl
inchikey: VLLVVZDKBSYMCG-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3,5-trichloro-2-(2-chlorophenyl)benzene @en
formula: C12H6Cl4
cas number: 62796-65-0

1-methyl-2-propylbenzeen
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
smiles: CCCC1=CC=CC=C1C
broader: CHEMONTID_0002811
iupac name: 1-Methyl-2-propylbenzene @en
formula: C10H14
inchikey: YQZBFMJOASEONC-UHFFFAOYSA-N
cas number: 1074-17-5
notation: 1C1y2C3yBen
pubchem: 14091
in scheme: Conceptschema Chemische Stoffen
type: Concept

C.I. Solvent Yellow 3
type: ChemicalCompound
cas number: 97-56-3
broader: CHEMONTID_0003370
type: ChemicalSubstance
cas number: 41576-40-3
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
formula: C14H15N3
pubchem: 7340
iupac name: 2-methyl-4-(2-methylphenyl)diazenylaniline @en
inchikey: PFRYFZZSECNQOL-UHFFFAOYSA-N
type: Concept
smiles: CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C
in scheme: Conceptschema Chemische Stoffen
cas number: 28676-13-3
alternative label: c.i. solvent yellow 3
notation: cisyw3

diethylftalaat
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
in scheme: Conceptschema Chemische Stoffen
smiles: CCOC(=O)C1=CC=CC=C1C(=O)OCC
broader: CHEMONTID_0001350
type: ChemicalCompound
pubchem: 6781
inchikey: FLKPEMZONWLCSK-UHFFFAOYSA-N
type: ChemicalSubstance
notation: DC2yFt
type: Concept
iupac name: diethyl benzene-1,2-dicarboxylate @en
cas number: 84-66-2
cas number: 68988-18-1
formula: C12H14O4

alfa-fenchylacetaat
notation: afencactt
inchikey: JUWUWIGZUVEFQB-UHFFFAOYSA-N
iupac name: (1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate @en
cas number: 4057-31-2
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)OC1C(C2CCC1(C2)C)(C)C
type: ChemicalSubstance
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
type: ChemicalCompound
broader: CHEMONTID_0001564
formula: C12H20O2
pubchem: 107217

1-fenyl-2-ethanol
cas number: 60-12-8
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: 1Fy2C2ol
pubchem: 6054
iupac name: 2-PHENYLETHANOL @en
type: ChemicalCompound
inchi: InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
smiles: C1=CC=C(C=C1)CCO
broader: CHEMONTID_0002279
cas number: 1321-27-3
formula: C8H10O
inchikey: WRMNZCZEMHIOCP-UHFFFAOYSA-N
type: ChemicalSubstance

californium 249
inchikey: HGLDOAKPQXAFKI-YPZZEJLDSA-N
type: Concept
smiles: [Cf]
notation: Cf249
broader: CHEMONTID_0000430
formula: Cf
type: ChemicalSubstance
cas number: 15237-97-5
pubchem: 105176
iupac name: californium-249 @en
inchi: InChI=1S/Cf/i1-2
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

triethyleenglycol
cas number: 676-18-6
inchikey: ZIBGPFATKBEMQZ-UHFFFAOYSA-N
iupac name: 2-[2-(2-hydroxyethoxy)ethoxy]ethanol @en
cas number: 121202-29-7
type: ChemicalCompound
notation: TC2yegcl
formula: C6H14O4
type: ChemicalSubstance
cas number: 118662-30-9
broader: CHEMONTID_0003338
type: Concept
cas number: 112-27-6
in scheme: Conceptschema Chemische Stoffen
smiles: C(COCCOCCO)O
pubchem: 8172
inchi: InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

gamma-hexachloorcyclohexaan
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+
cas number: 58-89-9
formula: C6H6Cl6
type: Concept
in scheme: Conceptschema Chemische Stoffen
alternative label: lindaan
type: ChemicalSubstance
notation: gHCH
alternative label: γ-lindaan
inchikey: JLYXXMFPNIAWKQ-GNIYUCBRSA-N
broader: CHEMONTID_0004485
iupac name: (1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en
type: ChemicalCompound
alternative label: γ-hexachlorocyclohexaan

som HBCD (technisch mengsel, niet-gespecif. broom-posities)
iupac name: 1,3,5,7,9,11-hexabromocyclododecane @en
smiles: C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br
in scheme: Conceptschema Chemische Stoffen
notation: HBCD
cas number: 25637-99-4
broader: CHEMONTID_0001515
inchikey: LEOCKULGXOQRTQ-UHFFFAOYSA-N
cas number: 22374-57-8
type: ChemicalSubstance
alternative label: som hbcd (technisch mengsel, niet-gespecif. broom-posities)
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
pubchem: 33121
formula: C12H18Br6
type: ChemicalCompound
type: Concept

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

bensulfuron-methyl
type: Concept
notation: bensfrnC1y
in scheme: Conceptschema Chemische Stoffen
cas number: 83055-99-6
inchikey: XMQFTWRPUQYINF-UHFFFAOYSA-N
iupac name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate @en
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)
broader: CHEMONTID_0001350
type: ChemicalSubstance
pubchem: 54960
type: ChemicalCompound
cas number: 104466-83-3
formula: C16H18N4O7S

metazachloor
cas number: 67129-08-2
formula: C14H16ClN3O
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl
alternative label: metazachlor
type: ChemicalCompound
broader: CHEMONTID_0000285
iupac name: 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide @en
inchikey: STEPQTYSZVCJPV-UHFFFAOYSA-N
type: Concept
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
pubchem: 49384
notation: mzCl
type: ChemicalSubstance

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

norfluoxetine hydrochloride
type: Concept
type: ChemicalSubstance
iupac name: 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride @en
cas number: 57226-68-3
in scheme: Conceptschema Chemische Stoffen
formula: C16H17ClF3NO
pubchem: 151371
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
notation: norfoxtneHCL
type: ChemicalCompound
inchikey: GMTWWEPBGGXBTO-UHFFFAOYSA-N
broader: CHEMONTID_0004551
cas number: 56161-73-0

2-chloor-5-nitroaniline
inchikey: KWIXNFOTNVKIGM-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
notation: 2Cl5NO2An
smiles: C1=CC(=C(C=C1[N+](=O)[O-])N)Cl
iupac name: 2-Chloro-5-nitroaniline @en
formula: C6H5ClN2O2
type: Concept
pubchem: 22691
inchi: InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
cas number: 6283-25-6

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

paramethason
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003095
notation: parmtsn
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
formula: C22H29FO5
pubchem: 5875
inchikey: MKPDWECBUAZOHP-AFYJWTTESA-N
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
cas number: 53-33-8
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

7H-perfluorheptaanzuur
in scheme: Conceptschema Chemische Stoffen
alternative label: 7h-perfluorheptaanzuur
inchikey: JZHDEEOTEUVLHR-UHFFFAOYSA-N
type: Concept
notation: HPFHpA
type: ChemicalCompound
broader: CHEMONTID_0003086
type: ChemicalSubstance
pubchem: 15243
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid @en
cas number: 1546-95-8
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)
formula: C7H2F12O2

2,2',3,3',4,6'-hexachloorbifenyl
type: ChemicalSubstance
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
cas number: 38380-05-1
notation: PCB132
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0003030
pubchem: 38017
inchikey: OKBJVIVEFXPEOU-UHFFFAOYSA-N
iupac name: 1,2,3-trichloro-4-(2,3,6-trichlorophenyl)benzene @en
type: Concept
formula: C12H4Cl6

triadimenol
pubchem: 41368
cas number: 55219-65-3
iupac name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: Tadmnl
type: ChemicalSubstance
formula: C14H18ClN3O2
broader: CHEMONTID_0002341
inchikey: BAZVSMNPJJMILC-UHFFFAOYSA-N
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

4-methyl-2-pentanol
iupac name: 4-Methylpentan-2-ol @en
inchikey: WVYWICLMDOOCFB-UHFFFAOYSA-N
formula: C6H14O
broader: CHEMONTID_0001661
cas number: 40747-85-1
cas number: 108-11-2
cas number: 72847-31-5
type: Concept
notation: 4C1y2C5ol
pubchem: 7910
type: ChemicalSubstance
type: ChemicalCompound
cas number: 20281-88-3
inchi: InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)CC(C)O

1,1-dichloor-1,2,2-trifluorethaan
type: Concept
notation: HCFK123b
inchikey: AFTSHZRGGNMLHC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 13132
type: ChemicalCompound
iupac name: 1,1-Dichloro-1,2,2-trifluoroethane @en
inchi: InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H
formula: C2HCl2F3
broader: CHEMONTID_0001517
cas number: 812-04-4
smiles: C(C(F)(Cl)Cl)(F)F
type: ChemicalSubstance

gestodeen
notation: gesdn
broader: CHEMONTID_0003570
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
type: ChemicalSubstance
pubchem: 43249
type: Concept
smiles: CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34
formula: C21H26O2
inchikey: SIGSPDASOTUPFS-KQMXEUTGSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 60282-87-3
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
type: ChemicalCompound

duloxetine
broader: CHEMONTID_0000023
notation: dulxtne
type: ChemicalCompound
inchikey: ZEUITGRIYCTCEM-KRWDZBQOSA-N
smiles: CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32
type: Concept
formula: C18H19NOS
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 60835
iupac name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine @en
cas number: 116539-59-4
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

1-chloordodecaan
type: Concept
type: ChemicalCompound
pubchem: 8192
formula: C12H25Cl
broader: CHEMONTID_0001516
smiles: CCCCCCCCCCCCCl
cas number: 112-52-7
iupac name: 1-Chlorododecane @en
inchi: InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
notation: 1ClC12a
inchikey: YAYNEUUHHLGGAH-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

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

meta-xyleen
smiles: CC1=CC(=CC=C1)C
inchi: InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
notation: 13xyln
is referenced by: LUC IV 011
type: Concept
broader: CHEMONTID_0004209
formula: C8H10
is referenced by: LUC IV 001
inchikey: IVSZLXZYQVIEFR-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 1,3-Dimethylbenzene @en
alternative label: 1,3-Dimethylbenzeen
comment: VLAR II bijl. 4.4.2 'xylenen'
alternative label: 1,3-xyleen
is referenced by: LUC IV 000
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 108-38-3
alternative label: m-xyleen
pubchem: 7929

tetrasul
smiles: C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl
broader: CHEMONTID_0003864
cas number: 2227-13-6
notation: T4sl
inchikey: QUWSDLYBOVGOCW-UHFFFAOYSA-N
iupac name: 1,2,4-trichloro-5-(4-chlorophenyl)sulfanylbenzene @en
type: ChemicalCompound
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
type: ChemicalSubstance
formula: C12H6Cl4S
pubchem: 16685
type: Concept
in scheme: Conceptschema Chemische Stoffen

dimethylamine
iupac name: N-Methylmethanamine @en
inchikey: ROSDSFDQCJNGOL-UHFFFAOYSA-N
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
notation: DC1yAe
broader: CHEMONTID_0002228
formula: C2H7N
inchi: InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 674
smiles: CNC
cas number: 124-40-3
type: ChemicalCompound

barban
cas number: 101-27-9
type: ChemicalSubstance
pubchem: 7551
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)
smiles: C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl
in scheme: Conceptschema Chemische Stoffen
notation: barbn
broader: CHEMONTID_0004714
iupac name: 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate @en
formula: C11H9Cl2NO2
type: Concept
type: ChemicalCompound
inchikey: MCOQHIWZJUDQIC-UHFFFAOYSA-N

vinylacetaat
inchi: InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
cas number: 61891-42-7
cas number: 82041-23-4
iupac name: Ethenyl acetate @en
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 011
inchikey: XTXRWKRVRITETP-UHFFFAOYSA-N
type: ChemicalCompound
formula: C4H6O2
notation: vinactt
cas number: 85306-26-9
type: ChemicalSubstance
is referenced by: LUC IV 000
smiles: CC(=O)OC=C
cas number: 220713-36-0
broader: CHEMONTID_0002354
type: Concept
pubchem: 7904
comment: VLAR II bijl. 4.4.2
is referenced by: LUC IV 004
cas number: 108-05-4

amisulpride
cas number: 71675-85-9
type: ChemicalCompound
type: ChemicalSubstance
formula: C17H27N3O4S
type: Concept
notation: amspde
inchikey: NTJOBXMMWNYJFB-UHFFFAOYSA-N
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)
broader: CHEMONTID_0001917
pubchem: 2159
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide @en

difethialon
inchikey: VSVAQRUUFVBBFS-UHFFFAOYSA-N
formula: C31H23BrO2S
type: Concept
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
broader: CHEMONTID_0002044
pubchem: 91771
iupac name: 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxythiochromen-4-one @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
notation: Dftiln
cas number: 104653-34-1

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

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

chloorfacinon
type: ChemicalSubstance
iupac name: 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione @en
type: ChemicalCompound
cas number: 3691-35-8
notation: clfcnn
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
pubchem: 19402
type: Concept
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
inchikey: UDHXJZHVNHGCEC-UHFFFAOYSA-N
formula: C23H15ClO3

dinatriumcyanodithioimidocarbonaat
type: ChemicalCompound
broader: CHEMONTID_0004099
iupac name: disodium cyanoiminomethanedithiolate @en
type: ChemicalSubstance
pubchem: 61088
formula: C2N2Na2S2
type: Concept
smiles: C(#N)N=C([S-])[S-].[Na+].[Na+]
inchi: InChI=1S/C2H2N2S2.2Na/c3-1-4-2(5)6;;/h(H2,4,5,6);;/q;2*+1/p-2
cas number: 138-93-2
in scheme: Conceptschema Chemische Stoffen
notation: DNaCNDtoimdC
inchikey: AZDIXEXNLJMBJO-UHFFFAOYSA-L

5-methyltetralin
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
type: Concept
inchikey: YXOVIGZJPGLNGM-UHFFFAOYSA-N
notation: 5C1yT4lne
formula: C11H14
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C2CCCCC2=CC=C1
cas number: 2809-64-5
type: ChemicalSubstance
pubchem: 17768
broader: CHEMONTID_0000048
iupac name: 5-methyl-1,2,3,4-tetrahydronaphthalene @en
type: ChemicalCompound

triazichon
notation: Tazcn
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002494
iupac name: 2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione @en
type: ChemicalCompound
inchikey: PXSOHRWMIRDKMP-UHFFFAOYSA-N
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
pubchem: 6235
type: Concept
cas number: 8059-32-3
smiles: C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4
formula: C12H13N3O2
type: ChemicalSubstance
cas number: 68-76-8

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

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

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

2,2',3,5,5',6-hexachloorbifenyl
cas number: 52663-63-5
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
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene @en
inchikey: UHCLFIWDCYOTOL-UHFFFAOYSA-N
formula: C12H4Cl6
type: ChemicalSubstance
pubchem: 40471
type: Concept
type: ChemicalCompound
notation: PCB151
broader: CHEMONTID_0003030

pcb 167
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
inchikey: AZXHAWRMEPZSSV-UHFFFAOYSA-N
alternative label: PCB 167
is referenced by: LUC VI 002
type: Concept
formula: C12H4Cl6
alternative label: 2,3',4,4',5,5'-hexachloorbifenyl
pubchem: 40479
broader: CHEMONTID_0003030
alternative label: 2,3',4,4',5,5'-hexachloorbifenyl (pcb167)
cas number: 52663-72-6
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene @en
type: ChemicalSubstance
comment: VLAR III (D3) 'dioxineachtige PCB's'
type: ChemicalCompound
notation: PCB167

3,4-dimethylpyridine
pubchem: 11417
in scheme: Conceptschema Chemische Stoffen
notation: 34DC1yprdne
inchikey: NURQLCJSMXZBPC-UHFFFAOYSA-N
broader: CHEMONTID_0004152
type: Concept
iupac name: 3,4-Dimethylpyridine @en
cas number: 583-58-4
formula: C7H9N
smiles: CC1=C(C=NC=C1)C
inchi: InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3
type: ChemicalCompound
type: ChemicalSubstance

spiramycine i
pubchem: 6440717
cas number: 13441-34-4
alternative label: spiramycine I
cas number: 50762-61-3
formula: C43H74N2O14
notation: spirmcI
cas number: 13430-00-7
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
broader: CHEMONTID_0000282
cas number: 67262-35-5
type: ChemicalSubstance
cas number: 24916-50-5
type: Concept
cas number: 1403-57-2
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
cas number: 2517-38-6
cas number: 1405-25-0
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: ACTOXUHEUCPTEW-KWBWCIJSSA-N

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

thulium
type: Concept
cas number: 7440-30-4
iupac name: THULIUM @en
type: ChemicalSubstance
broader: CHEMONTID_0000429
pubchem: 23961
type: ChemicalCompound
notation: Tm
cas number: 69527-01-1
cas number: 29687-68-1
formula: Tm
in scheme: Conceptschema Chemische Stoffen
cas number: 110424-80-1
inchikey: FRNOGLGSGLTDKL-UHFFFAOYSA-N
smiles: [Tm]
inchi: InChI=1S/Tm

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

zwaveltrioxide
comment: VLAR III (D3, diverse art) 'SO3'
smiles: O=S(=O)=O
type: ChemicalSubstance
notation: SO3
formula: O3S
is referenced by: LUC III 008
comment: VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000554
inchikey: AKEJUJNQAAGONA-UHFFFAOYSA-N
inchi: InChI=1S/O3S/c1-4(2)3
pubchem: 24682
type: Concept
cas number: 7446-11-9
type: ChemicalCompound
cas number: 12210-38-7
iupac name: SULFUR TRIOXIDE @en
comment: VLAR II Art. 5.7.3.1 'zwaveltrioxide'

trichloronaat
pubchem: 9477
notation: TClnt
broader: CHEMONTID_0004742
type: ChemicalSubstance
smiles: CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl
cas number: 327-98-0
type: ChemicalCompound
iupac name: ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane @en
formula: C10H12Cl3O2PS
in scheme: Conceptschema Chemische Stoffen
inchikey: ANIAQSUBRGXWLS-UHFFFAOYSA-N
type: Concept

benzoylprop
notation: benzypp
cas number: 22212-56-2
broader: CHEMONTID_0004713
iupac name: 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoic acid @en
formula: C16H13Cl2NO3
type: ChemicalSubstance
pubchem: 90756
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)
inchikey: WZZRJCUYSKKFHO-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept

kobalt 58
inchikey: GUTLYIVDDKVIGB-BJUDXGSMSA-N
notation: Co58
type: ChemicalCompound
inchi: InChI=1S/Co/i1-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 104844
cas number: 13981-38-9
iupac name: cobalt-58 @en
type: Concept
type: ChemicalSubstance
smiles: [Co]
broader: CHEMONTID_0000426
formula: Co

1,2-dichlooretheen
cas number: 540-59-0
cas number: 43695-79-0
iupac name: ['1,2-Dichloroethene', '(E)-1,2-Dichloroethene'] @en
alternative label: 1,2-dichloorethyleen
notation: t12DClC2e
inchi: InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+
alternative label: 1,2-dichlooretheen,trans
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 011
inchikey: KFUSEUYYWQURPO-OWOJBTEDSA-N
type: Concept
comment: VLAREM II bijlage 4.4.2
alternative label: 1,2-dichlooretheen, cis
formula: C2H2Cl2
notation: 12DClC2e
alternative label: trans-1,2-dichlooretheen
smiles: C(=CCl)Cl
pubchem: 638186
cas number: 156-60-5

4-chloortolueen
notation: 4ClTol
pubchem: 7810
cas number: 106-43-4
in scheme: Conceptschema Chemische Stoffen
inchikey: NPDACUSDTOMAMK-UHFFFAOYSA-N
broader: CHEMONTID_0001099
type: ChemicalCompound
cas number: 3327-51-3
inchi: InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
type: ChemicalSubstance
iupac name: 1-Chloro-4-methylbenzene @en
type: Concept
formula: C7H7Cl
smiles: CC1=CC=C(C=C1)Cl

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

(1-ethyldecyl)-benzeen
type: Concept
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
formula: C18H30
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: dodecan-3-ylbenzene @en
smiles: CCCCCCCCCC(CC)C1=CC=CC=C1
broader: CHEMONTID_0002811
inchikey: PGVOXXHNGYYHHB-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 16979
cas number: 2400-00-2
notation: 1C2yC10yBen

trichlofenidine
cas number: 53720-80-2
type: Concept
inchikey: NFQIYHPAGNZAOO-UHFFFAOYSA-N
iupac name: 1,3-Bis(3-chlorophenyl)-2-(trichloromethyl)imidazolidine @en
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
broader: CHEMONTID_0002547
pubchem: 93289
notation: Tcfndne
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C16H13Cl5N2
type: ChemicalCompound

n-propanol
notation: C3ol
type: Concept
cas number: 62309-51-7
alternative label: propanol
is referenced by: LUC IV 000
broader: CHEMONTID_0000286
cas number: 71-23-8
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
is referenced by: LUC IV 012
smiles: CCCO
formula: C3H8O
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: BDERNNFJNOPAEC-UHFFFAOYSA-N
pubchem: 1031
iupac name: Propan-1-ol @en
type: ChemicalCompound
is referenced by: LUC IV 009
inchi: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

tetrabutyltin
type: ChemicalSubstance
cas number: 1461-25-2
type: Concept
inchikey: AFCAKJKUYFLYFK-UHFFFAOYSA-N
alternative label: tetrabutyltin (tebt)
type: ChemicalCompound
pubchem: 15098
inchi: InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;
notation: T4C4ySn
iupac name: Tetrabutylstannane @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004347
formula: C16H36Sn
smiles: CCCC[Sn](CCCC)(CCCC)CCCC

1-deceen
is referenced by: LUC IV 000
type: ChemicalCompound
smiles: CCCCCCCCC=C
formula: C10H20
type: Concept
notation: 1C10e
pubchem: 13381
cas number: 108778-38-7
inchikey: AFFLGGQVNFXPEV-UHFFFAOYSA-N
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
cas number: 25189-70-2
cas number: 872-05-9
cas number: 105054-87-3
is referenced by: LUC IV 011
inchi: InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3
cas number: 68037-01-4
broader: CHEMONTID_0004476
is referenced by: LUC IV 005
type: ChemicalSubstance
iupac name: Dec-1-ene @en
in scheme: Conceptschema Chemische Stoffen

cymoxanil
in scheme: Conceptschema Chemische Stoffen
formula: C7H10N4O3
cas number: 93195-85-8
broader: CHEMONTID_0001010
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+
cas number: 57966-95-7
inchikey: XERJKGMBORTKEO-VZUCSPMQSA-N
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
smiles: CCNC(=O)NC(=O)C(=NOC)C#N
pubchem: 5364079
notation: cymOanl
iupac name: 2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide @en

2,5-dichloorfenol
inchi: InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
pubchem: 66
broader: CHEMONTID_0002564
notation: 25DClFol
type: ChemicalCompound
iupac name: 2,5-dichlorophenol @en
cas number: 583-78-8
type: ChemicalSubstance
type: Concept
formula: C6H4Cl2O
smiles: C1=CC(=C(C=C1Cl)O)Cl
inchikey: RANCECPPZPIPNO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

1,2,3,5-tetrachloor-4,6-dimethylbenzeen
smiles: CC1=C(C(=C(C(=C1Cl)Cl)Cl)C)Cl
type: Concept
pubchem: 70139
type: ChemicalCompound
inchikey: NTUBJKOTTSFEEV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 1235T4Cl46DC
inchi: InChI=1S/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3
cas number: 877-09-8
formula: C8H6Cl4
iupac name: 1,2,3,5-tetrachloro-4,6-dimethylbenzene @en
broader: CHEMONTID_0004209
type: ChemicalSubstance

ethylhexaandiol
broader: CHEMONTID_0001334
iupac name: 2-Ethylhexane-1,3-diol @en
smiles: CCCC(C(CC)CO)O
inchi: InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3
type: ChemicalCompound
cas number: 1321-34-2
type: Concept
type: ChemicalSubstance
inchikey: RWLALWYNXFYRGW-UHFFFAOYSA-N
pubchem: 7211
notation: C2yC6aDol
in scheme: Conceptschema Chemische Stoffen
formula: C8H18O2
cas number: 94-96-2

N-amylamine
formula: C5H13N
cas number: 110-58-7
alternative label: n-amylamine
type: ChemicalCompound
notation: NamAe
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
smiles: CCCCCN
inchikey: DPBLXKKOBLCELK-UHFFFAOYSA-N
pubchem: 8060
iupac name: pentan-1-amine @en
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000469

4-chloor-2-methylfenol
formula: C7H7ClO
type: Concept
type: ChemicalCompound
pubchem: 14855
broader: CHEMONTID_0001274
inchi: InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
in scheme: Conceptschema Chemische Stoffen
inchikey: RHPUJHQBPORFGV-UHFFFAOYSA-N
notation: 4Cl2C1yFol
smiles: CC1=C(C=CC(=C1)Cl)O
cas number: 1570-64-5
iupac name: 4-Chloro-2-methylphenol @en
type: ChemicalSubstance

1,6-dimethylnaftaleen
inchi: InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000023
cas number: 575-43-9
iupac name: 1,6-Dimethylnaphthalene @en
smiles: CC1=CC2=CC=CC(=C2C=C1)C
formula: C12H12
notation: 16DC1yNaf
in scheme: Conceptschema Chemische Stoffen
inchikey: CBMXCNPQDUJNHT-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 11328

imazalil
formula: C14H14Cl2N2O
pubchem: 37175
in scheme: Conceptschema Chemische Stoffen
cas number: 35554-44-0
smiles: C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
broader: CHEMONTID_0002542
type: Concept
notation: imzll
type: ChemicalSubstance
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
type: ChemicalCompound
iupac name: 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole @en
inchikey: PZBPKYOVPCNPJY-UHFFFAOYSA-N

2,6-diisopropylnaftaleen
smiles: CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 32241
cas number: 24157-81-1
notation: 26DiC3yNaf
formula: C16H20
inchikey: GWLLTEXUIOFAFE-UHFFFAOYSA-N
iupac name: 2,6-di(propan-2-yl)naphthalene @en
type: Concept
type: ChemicalCompound
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
broader: CHEMONTID_0000023

furfurylalcohol
formula: C5H6O2
cas number: 88161-36-8
cas number: 25212-86-6
pubchem: 7361
alternative label: 2-furaanmethanol
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004144
is referenced by: LUC IV 000
comment: VLAR II bijl. 4.4.2
iupac name: furan-2-ylmethanol @en
notation: 2furC1ol
smiles: C1=COC(=C1)CO
inchikey: XPFVYQJUAUNWIW-UHFFFAOYSA-N
cas number: 93793-62-5
type: Concept
type: ChemicalSubstance
is referenced by: LUC IV 009
inchi: InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
type: ChemicalCompound
cas number: 98-00-0

2-chloor-1,4-dimethylbenzeen
smiles: CC1=CC(=C(C=C1)C)Cl
iupac name: 2-Chloro-1,4-dimethylbenzene @en
cas number: 95-72-7
cas number: 35442-53-6
notation: 2Cl14C1yBen
formula: C8H9Cl
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 32883
inchi: InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
broader: CHEMONTID_0004211
type: ChemicalCompound
inchikey: KZNRNQGTVRTDPN-UHFFFAOYSA-N
type: Concept

2-(thiocyanomethylthio)benzothiazool
notation: TCMTB
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: TUBQDCKAWGHZPF-UHFFFAOYSA-N
type: ChemicalSubstance
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
cas number: 21564-17-0
pubchem: 30692
iupac name: 2-(thiocyanatomethylsulfanyl)-1,3-benzothiazole @en
cas number: 56532-60-6
cas number: 6441-45-8
broader: CHEMONTID_0000311
type: Concept
cas number: 56996-45-3
smiles: C1=CC=C2C(=C1)N=C(S2)SCSC#N
cas number: 64441-45-8

alfa-hexylcinnamaldehyde
type: ChemicalSubstance
type: ChemicalCompound
iupac name: ['2-(phenylmethylidene)octanal', '(2E)-2-(phenylmethylidene)octanal'] @en
inchikey: GUUHFMWKWLOQMM-NTCAYCPXSA-N
cas number: 101-86-0
in scheme: Conceptschema Chemische Stoffen
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+
formula: C15H20O
type: Concept
pubchem: 1550884
smiles: CCCCCCC(=CC1=CC=CC=C1)C=O
broader: CHEMONTID_0000029
notation: aC6ycinnAh

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

joodmethaan
smiles: CI
iupac name: Iodomethane @en
inchi: InChI=1S/CH3I/c1-2/h1H3
inchikey: INQOMBQAUSQDDS-UHFFFAOYSA-N
formula: CH3I
type: ChemicalSubstance
cas number: 147937-07-3
type: ChemicalCompound
pubchem: 6328
in scheme: Conceptschema Chemische Stoffen
notation: IC1a
broader: CHEMONTID_0004157
cas number: 74-88-4
type: Concept

mecoprop-P
type: ChemicalCompound
formula: C10H11ClO3
notation: mecppP
smiles: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O
type: Concept
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
broader: CHEMONTID_0004676
iupac name: (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid @en
alternative label: mecoprop-p
inchikey: WNTGYJSOUMFZEP-SSDOTTSWSA-N
pubchem: 185588
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 16484-77-8

thorium 230
type: Concept
broader: CHEMONTID_0000430
inchikey: ZSLUVFAKFWKJRC-YPZZEJLDSA-N
pubchem: 61723
inchi: InChI=1S/Th/i1-2
type: ChemicalSubstance
iupac name: thorium-230 @en
in scheme: Conceptschema Chemische Stoffen
cas number: 14269-63-7
formula: Th
notation: Th230
smiles: [Th]
type: ChemicalCompound

pirimicarb
smiles: CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C
inchi: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
inchikey: YFGYUFNIOHWBOB-UHFFFAOYSA-N
formula: C11H18N4O2
type: Concept
iupac name: (2-dimethylamino-5,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate @en
notation: pirmcb
pubchem: 31645
in scheme: Conceptschema Chemische Stoffen
cas number: 23103-98-2
broader: CHEMONTID_0003901
type: ChemicalSubstance
type: ChemicalCompound

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

pcb77
cas number: 32598-13-3
broader: CHEMONTID_0003030
alternative label: 3,3',4,4'-tetrachloorbifenyl
alternative label: 3,3',4,4'-tetrachloorbifenyl (pcb77)
pubchem: 36187
in scheme: Conceptschema Chemische Stoffen
inchikey: UQMGJOKDKOLIDP-UHFFFAOYSA-N
iupac name: 1,2-dichloro-4-(3,4-dichlorophenyl)benzene @en
inchi: InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
type: ChemicalCompound
cas number: 80333-65-9
formula: C12H6Cl4
alternative label: pcb 77
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl
type: ChemicalSubstance
notation: PCB77
alternative label: PCB77
is referenced by: LUC VI 002
type: Concept
comment: VLAR III (D3) 'dioxineachtige PCB's'

temefos
type: Concept
broader: CHEMONTID_0004748
pubchem: 5392
formula: C16H20O6P2S3
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalCompound
cas number: 53320-58-4
cas number: 3383-96-8
notation: temfs
inchikey: WWJZWCUNLNYYAU-UHFFFAOYSA-N

N-ethyl-4-methylbenzeensulfonamide
smiles: CCNS(=O)(=O)C1=CC=C(C=C1)C
cas number: 825629-31-0
in scheme: Conceptschema Chemische Stoffen
alternative label: n-ethyl-4-methylbenzeensulfonamide
pubchem: 6637
cas number: 8047-99-2
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
type: ChemicalSubstance
type: ChemicalCompound
inchikey: OHPZPBNDOVQJMH-UHFFFAOYSA-N
formula: C9H13NO2S
type: Concept
notation: NC2y4C1yBens
cas number: 80-39-7
broader: CHEMONTID_0004517

mevinfos
notation: mevfs
type: ChemicalSubstance
pubchem: 5355863
cas number: 243464-31-5
alternative label: cis-mevinfos
broader: CHEMONTID_0000324
inchikey: GEPDYQSQVLXLEU-AATRIKPKSA-N
cas number: 26718-65-0
cas number: 298-01-1
type: ChemicalCompound
type: Concept
smiles: CC(=CC(=O)OC)OP(=O)(OC)OC
cas number: 7786-34-7
formula: C7H13O6P
in scheme: Conceptschema Chemische Stoffen
notation: cmevfs
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

octanal
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCC=O
iupac name: Octanal @en
type: ChemicalCompound
formula: C8H16O
type: ChemicalSubstance
type: Concept
cas number: 124-13-0
broader: CHEMONTID_0002229
inchi: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
pubchem: 454
inchikey: NUJGJRNETVAIRJ-UHFFFAOYSA-N
notation: C8al

allopurinol
pubchem: 2094
inchi: InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
in scheme: Conceptschema Chemische Stoffen
cas number: 184856-42-6
type: ChemicalSubstance
smiles: C1=C2C(=NC=NC2=O)NN1
cas number: 315-30-0
notation: allprnl
cas number: 39464-14-7
type: Concept
inchikey: OFCNXPDARWKPPY-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one @en
broader: CHEMONTID_0004387
cas number: 22767-92-6
formula: C5H4N4O

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

2,4,6-trinitrotolueen (tnt)
alternative label: 2,4,6-trinitrotolueen (TNT)
type: ChemicalSubstance
cas number: 118-96-7
notation: TNT
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
inchikey: SPSSULHKWOKEEL-UHFFFAOYSA-N
formula: C7H5N3O6
broader: CHEMONTID_0000036
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-]

cholesta-5,22-dien-3-beta-ol
notation: chol522Den3b
cas number: 34347-28-9
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
cas number: 136897-21-7
cas number: 137760-64-6
broader: CHEMONTID_0001469
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
formula: C27H44O
cas number: 6810-14-6
cas number: 70755-51-0
cas number: 566-89-2
inchikey: UPGTYLFCVNHBTN-XMLQVSDQSA-N
pubchem: 6441561

dioxathion
smiles: CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC
pubchem: 6531
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: (3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidenephosphorane @en
type: ChemicalSubstance
cas number: 78-34-2
broader: CHEMONTID_0001313
type: ChemicalCompound
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
notation: DOxton
inchikey: VBKKVDGJXVOLNE-UHFFFAOYSA-N
formula: C12H26O6P2S4

fluridon
pubchem: 43079
cas number: 59756-60-4
type: Concept
type: ChemicalCompound
iupac name: 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one @en
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0002317
notation: flurdn
inchikey: YWBVHLJPRPCRSD-UHFFFAOYSA-N

thorium
broader: CHEMONTID_0000430
pubchem: 23960
notation: Th232
alternative label: thorium 232
inchi: InChI=1S/Th
inchikey: ZSLUVFAKFWKJRC-UHFFFAOYSA-N
iupac name: THORIUM @en
in scheme: Conceptschema Chemische Stoffen
smiles: [Th]
type: Concept
formula: Th
notation: Th
type: ChemicalSubstance
cas number: 7440-29-1
cas number: 24738-30-5
type: ChemicalCompound
cas number: 15117-56-3

parathion-methyl
formula: C8H10NO5PS
cas number: 63653-66-7
iupac name: dimethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane @en
notation: C1yprton
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
alternative label: methylparathion
inchikey: RLBIQVVOMOPOHC-UHFFFAOYSA-N
pubchem: 4130
smiles: COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
type: ChemicalSubstance
cas number: 298-00-0
type: Concept
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
broader: CHEMONTID_0004748
cas number: 37359-35-6

captan
in scheme: Conceptschema Chemische Stoffen
cas number: 37335-15-2
pubchem: 8606
type: Concept
cas number: 120528-25-8
type: ChemicalCompound
broader: CHEMONTID_0001820
inchikey: LDVVMCZRFWMZSG-UHFFFAOYSA-N
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
formula: C9H8Cl3NO2S
iupac name: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione @en
cas number: 1321-42-2
type: ChemicalSubstance
cas number: 133-06-2
smiles: C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
notation: captn

cis-13,16-docosadieenzuur
smiles: CCCCCC=CCC=CCCCCCCCCCCCC(=O)O
iupac name: (13E,16E)-docosa-13,16-dienoic acid @en
type: ChemicalCompound
type: ChemicalSubstance
notation: c1316C22aDzr
broader: CHEMONTID_0002950
inchikey: HVGRZDASOHMCSK-AVQMFFATSA-N
pubchem: 5282807
type: Concept
formula: C22H40O2
cas number: 7370-49-2
in scheme: Conceptschema Chemische Stoffen

10:2 fluortelomeersulfonzuur
cas number: 120226-60-0
type: ChemicalCompound
broader: CHEMONTID_0001179
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)
type: Concept
type: ChemicalSubstance
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
inchikey: AJMAYLFJZQYRHN-UHFFFAOYSA-N
notation: 10:2 FTS
pubchem: 23136180
formula: C12H5F21O3S
in scheme: Conceptschema Chemische Stoffen

diethyleenglycoldinitraat
iupac name: 2-(2-nitrooxyethoxy)ethyl nitrate @en
type: ChemicalCompound
pubchem: 61198
inchi: InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2
broader: CHEMONTID_0004091
notation: DC2yegcDNO3
cas number: 693-21-0
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 66492-77-1
formula: C4H8N2O7
inchikey: LYAGTVMJGHTIDH-UHFFFAOYSA-N
type: Concept
smiles: C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]

delta-hexachloorcyclohexaan
cas number: 319-86-8
iupac name: (1r,2R,3S,4s,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane @en
broader: CHEMONTID_0004485
inchikey: JLYXXMFPNIAWKQ-GPIVLXJGSA-N
type: ChemicalSubstance
notation: dHCH
alternative label: δ-lindaan
alternative label: δ-hexachlorocyclohexaan
formula: C6H6Cl6
type: Concept
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-
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

ethion
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
iupac name: diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
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
cas number: 563-12-2
notation: eton
formula: C9H22O4P2S4
smiles: CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
inchikey: RIZMRRKBZQXFOY-UHFFFAOYSA-N
pubchem: 3286

alfa-fenylbenzeenmethanol
in scheme: Conceptschema Chemische Stoffen
notation: aFyBenC1ol
iupac name: di(phenyl)methanol @en
type: Concept
pubchem: 7037
inchi: InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
cas number: 91-01-0
inchikey: QILSFLSDHQAZET-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0000369
formula: C13H12O
type: ChemicalCompound
smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)O

perfluoroctaansulfonzuur (pfos)
pubchem: 74483
cas number: 132324-11-9
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)
alternative label: perfluor-n-octaansulfonzuur
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid @en
alternative label: perfluoroctaansul-fonzuur en zijn derivaten (pfos)
type: Concept
alternative label: perfluoroctaansulfonzuur (lineair)
broader: CHEMONTID_0003960
notation: PFOS
type: ChemicalSubstance
formula: C8HF17O3S
in scheme: Conceptschema Chemische Stoffen
inchikey: YFSUTJLHUFNCNZ-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 1763-23-1

4-(1,1-dimethylethyl)-2-methyl-fenol
broader: CHEMONTID_0002811
smiles: CC1=C(C=CC(=C1)C(C)(C)C)O
pubchem: 7379
type: ChemicalSubstance
type: ChemicalCompound
inchikey: SNKLPZOJLXDZCW-UHFFFAOYSA-N
type: Concept
iupac name: 4-tert-Butyl-2-methylphenol @en
inchi: InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3
in scheme: Conceptschema Chemische Stoffen
cas number: 98-27-1
formula: C11H16O
notation: 411DC1yC2y2C

tin
comment: VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'
notation: Sn
iupac name: TIN @en
broader: CHEMONTID_0000427
definition: tin en tinverbindingen, uitgedrukt als tin (Sn)
comment: VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'
pubchem: 5352426
inchi: InChI=1S/Sn
comment: VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'
is referenced by: LUC III 010
type: ChemicalSubstance
type: ChemicalCompound
smiles: [Sn]
inchikey: ATJFFYVFTNAWJD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
alternative label: Tin (Sn)
comment: VLAR III (D3, diverse art) 'Sn'
type: Concept
formula: Sn
cas number: 7440-31-5
is referenced by: LUC I 002

isobutylparabeen
type: ChemicalCompound
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
notation: iC4yprbn
type: ChemicalSubstance
broader: CHEMONTID_0004702
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C11H14O3
cas number: 4247-02-3
smiles: CC(C)COC(=O)C1=CC=C(C=C1)O
pubchem: 20240
inchikey: XPJVKCRENWUEJH-UHFFFAOYSA-N

methylkwikbenzoaat
smiles: C[Hg]OC(=O)C1=CC=CC=C1
cas number: 3626-13-9
type: ChemicalCompound
notation: C1yHgbzat
type: Concept
broader: CHEMONTID_0002565
pubchem: 16683944
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
inchikey: WKDZZKIPDBZSRW-UHFFFAOYSA-M
type: ChemicalSubstance
iupac name: benzoyloxy-methylmercury @en
formula: C8H8HgO2
in scheme: Conceptschema Chemische Stoffen

imazamox
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)
broader: CHEMONTID_0000060
type: ChemicalCompound
cas number: 182636-13-1
type: Concept
type: ChemicalSubstance
formula: C15H19N3O4
inchikey: NUPJIGQFXCQJBK-UHFFFAOYSA-N
notation: imzmx
iupac name: 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid @en
in scheme: Conceptschema Chemische Stoffen
cas number: 114311-32-9
pubchem: 86137

1,2-difenylhydrazine
smiles: C1=CC=C(C=C1)NNC2=CC=CC=C2
cas number: 38622-18-3
type: ChemicalCompound
pubchem: 31222
type: Concept
cas number: 122-66-7
notation: 12DFyhdzne
iupac name: 1,2-di(phenyl)hydrazine @en
inchikey: YBQZXXMEJHZYMB-UHFFFAOYSA-N
formula: C12H12N2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H
broader: CHEMONTID_0000113
type: ChemicalSubstance
cas number: 55299-18-8

di-p-tolueensulfonaat-ethyleenglycol
formula: C16H18O6S2
type: ChemicalSubstance
notation: DpTolsfnC2ye
broader: CHEMONTID_0004309
pubchem: 228289
type: ChemicalCompound
inchikey: LZIPBJBQQPZLOR-UHFFFAOYSA-N
type: Concept
cas number: 6315-52-2
iupac name: 2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate @en
in scheme: Conceptschema Chemische Stoffen
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

1,1,2-trichloorpropaan
pubchem: 11733
notation: 112TClC3a
formula: C3H5Cl3
smiles: CC(C(Cl)Cl)Cl
iupac name: 1,1,2-TRICHLOROPROPANE @en
inchi: InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001516
inchikey: GRSQYISVQKPZCW-UHFFFAOYSA-N
cas number: 598-77-6
in scheme: Conceptschema Chemische Stoffen

2-ethoxyethanol
formula: C4H10O2
is referenced by: LUC IV 003
notation: 2C2oxC2ol
type: Concept
iupac name: 2-Ethoxyethanol @en
inchikey: ZNQVEEAIQZEUHB-UHFFFAOYSA-N
broader: CHEMONTID_0001167
cas number: 96231-36-6
is referenced by: LUC IV 000
inchi: InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3
smiles: CCOCCO
comment: VLAR II bijl. 4.4.2
type: ChemicalSubstance
cas number: 110-80-5
pubchem: 8076
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 012
type: ChemicalCompound

tetracosaanzuur, methylester
pubchem: 75546
iupac name: Methyl tetracosanoate @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: C24azrC1yEsr
smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
type: ChemicalSubstance
cas number: 2442-49-1
inchikey: XUDJZDNUVZHSKZ-UHFFFAOYSA-N
formula: C25H50O2
type: Concept
broader: CHEMONTID_0003417

natriumthiocyanaat
cas number: 13249-87-1
notation: NatoCN
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: VGTPCRGMBIAPIM-UHFFFAOYSA-M
iupac name: ['SODIUM THIOCYANATE', 'Sodium isothiocyanate'] @en
type: ChemicalSubstance
type: Concept
pubchem: 10905
smiles: C(#N)[S-].[Na+]
inchi: InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1
cas number: 104345-12-2
formula: CNNaS
cas number: 540-72-7
broader: CHEMONTID_0004611

fermium
broader: CHEMONTID_0000430
type: ChemicalSubstance
type: Concept
iupac name: FERMIUM @en
inchikey: MIORUQGGZCBUGO-UHFFFAOYSA-N
formula: Fm
cas number: 7440-72-4
in scheme: Conceptschema Chemische Stoffen
smiles: [Fm]
notation: Fm
inchi: InChI=1S/Fm
pubchem: 23998
type: ChemicalCompound

tributyltrithiofosfaat
smiles: CCCCSP(=O)(SCCCC)SCCCC
pubchem: 5125
type: ChemicalCompound
cas number: 78-48-8
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: ZOKXUAHZSKEQSS-UHFFFAOYSA-N
type: ChemicalSubstance
notation: TC4yTtoPO4
broader: CHEMONTID_0001438
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
formula: C12H27OPS3

desisopropylatrazine
inchikey: IVENSCMCQBJAKW-UHFFFAOYSA-N
notation: desiC3yatzne
formula: C5H8ClN5
broader: CHEMONTID_0004734
type: Concept
type: ChemicalCompound
smiles: CCNC1=NC(=NC(=N1)N)Cl
pubchem: 13878
inchi: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
type: ChemicalSubstance
cas number: 1007-28-9
iupac name: 6-Chloro-N-ethyl-1,3,5-triazine-2,4-diamine @en
in scheme: Conceptschema Chemische Stoffen

ifosfamide
cas number: 84711-20-6
type: ChemicalSubstance
inchikey: HOMGKSMUEGBAAB-UHFFFAOYSA-N
cas number: 66849-34-1
pubchem: 3690
notation: iffAd
cas number: 36341-88-5
smiles: C1CN(P(=O)(OC1)NCCCl)CCCl
cas number: 66849-33-0
in scheme: Conceptschema Chemische Stoffen
cas number: 3778-73-2
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
type: Concept
broader: CHEMONTID_0002858
type: ChemicalCompound
formula: C7H15Cl2N2O2P

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

1,2-epoxypropaan
cas number: 75-56-9
alternative label: propyleenoxide
type: ChemicalSubstance
broader: CHEMONTID_0000159
comment: VLAREM II bijlage 4.4.2
notation: C3yeO
iupac name: 2-methyloxirane @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 6378
inchi: InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
cas number: 16033-71-9
inchikey: GOOHAUXETOMSMM-UHFFFAOYSA-N
smiles: CC1CO1
formula: C3H6O
type: ChemicalCompound
type: Concept

fenpropathrin
inchikey: XQUXKZZNEFRCAW-UHFFFAOYSA-N
pubchem: 47326
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate @en
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
formula: C22H23NO3
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0004155
smiles: CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
cas number: 39515-41-8
notation: fenpratn
type: Concept
cas number: 64257-84-7
in scheme: Conceptschema Chemische Stoffen

fenthion-sulfoxide
type: Concept
pubchem: 19577
type: ChemicalSubstance
broader: CHEMONTID_0004748
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
cas number: 3761-41-9
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C
iupac name: dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidenephosphorane @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C10H15O4PS2
notation: fentoSO
inchikey: DLAPIMGBBDILHJ-UHFFFAOYSA-N

dimethylglycol
formula: C4H10O2
type: ChemicalSubstance
pubchem: 220010
broader: CHEMONTID_0002467
notation: 23C4aDol
type: ChemicalCompound
inchikey: OWBTYPJTUOEWEK-ZXZARUISSA-N
cas number: 5341-95-7
inchi: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
cas number: 513-85-9
iupac name: (2R,3S)-butane-2,3-diol @en
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: CC(C(C)O)O

arsenobetaïne
type: ChemicalCompound
broader: CHEMONTID_0004238
iupac name: 2-trimethylarsoniumylacetate @en
smiles: C[As+](C)(C)CC(=O)[O-]
pubchem: 47364
cas number: 64436-13-1
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C5H11AsO2
inchikey: SPTHHTGLGVZZRH-UHFFFAOYSA-N
inchi: InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
type: Concept

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

trifenylfosfine
inchikey: RIOQSEWOXXDEQQ-UHFFFAOYSA-N
pubchem: 11776
type: ChemicalCompound
cas number: 112771-47-8
cas number: 603-35-0
broader: CHEMONTID_0001814
type: ChemicalSubstance
iupac name: tri(phenyl)phosphane @en
notation: Tfyffne
type: Concept
smiles: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3
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
in scheme: Conceptschema Chemische Stoffen

octachloornaftaleen
iupac name: 1,2,3,4,5,6,7,8-Octachloronaphthalene @en
type: Concept
formula: C10Cl8
notation: OcClNaf
pubchem: 16692
in scheme: Conceptschema Chemische Stoffen
cas number: 2234-13-1
broader: CHEMONTID_0004794
inchikey: RTNLUFLDZOAXIC-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound

hexaconazool
pubchem: 66461
formula: C14H17Cl2N3O
inchikey: STMIIPIFODONDC-UHFFFAOYSA-N
cas number: 79983-71-4
smiles: CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O
broader: CHEMONTID_0002564
type: ChemicalSubstance
notation: Hxcnzl
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
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound

ethiofencarbsulfon
pubchem: 119490
iupac name: [2-(ethylsulfonylmethyl)phenyl] N-methylcarbamate @en
inchikey: IOPTXXRNXCPJGO-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0004640
type: ChemicalCompound
notation: etofcbsfn
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)
smiles: CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC
cas number: 53380-23-7
in scheme: Conceptschema Chemische Stoffen
type: Concept

4,4'-sulfonyldifenol
iupac name: 4-(4-hydroxyphenyl)sulfonylphenol @en
cas number: 80-09-1
broader: CHEMONTID_0004233
cas number: 98388-00-2
pubchem: 6626
formula: C12H10O4S
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
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
type: Concept
smiles: C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O
type: ChemicalSubstance
notation: 44sulfnDFol
inchikey: VPWNQTHUCYMVMZ-UHFFFAOYSA-N

N,N-dimethylaniline
type: ChemicalCompound
formula: C8H11N
smiles: CN(C)C1=CC=CC=C1
cas number: 168153-21-7
type: ChemicalSubstance
cas number: 121-69-7
inchikey: JLTDJTHDQAWBAV-UHFFFAOYSA-N
alternative label: n,n-dimethylaniline
cas number: 162744-63-0
type: Concept
iupac name: N,N-dimethylaniline @en
pubchem: 949
inchi: InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
notation: NNDC1yAn
broader: CHEMONTID_0003901
cas number: 171745-67-8
in scheme: Conceptschema Chemische Stoffen

profenofos
inchikey: QYMMJNLHFKGANY-UHFFFAOYSA-N
cas number: 61287-51-2
broader: CHEMONTID_0004742
cas number: 61230-42-0
iupac name: 4-bromo-2-chloro-1-(ethoxy-propylsulfanylphosphoryl)oxybenzene @en
pubchem: 38779
type: ChemicalSubstance
smiles: CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl
cas number: 81116-98-5
notation: profnfs
cas number: 41198-08-7
type: ChemicalCompound
cas number: 81123-19-5
in scheme: Conceptschema Chemische Stoffen
formula: C11H15BrClO3PS
type: Concept

1,8-diazacyclotetradecaan-2,9-dion
type: Concept
type: ChemicalCompound
notation: 18DazccC14a2
in scheme: Conceptschema Chemische Stoffen
inchikey: HERSSAVMHCMYSQ-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 56403-09-9
pubchem: 16
broader: CHEMONTID_0000064
smiles: C1CCC(=O)NCCCCCC(=O)NCC1
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

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

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

N-(2-fenylethyl)formamide
type: ChemicalSubstance
alternative label: n-(2-fenylethyl)formamide
type: Concept
broader: CHEMONTID_0002279
formula: C9H11NO
in scheme: Conceptschema Chemische Stoffen
pubchem: 140995
smiles: C1=CC=C(C=C1)CCNC=O
inchi: InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)
type: ChemicalCompound
cas number: 23069-99-0
iupac name: N-(2-phenylethyl)formamide @en
notation: N2FyC2yfAd
inchikey: NOOOMJZHMKSKBF-UHFFFAOYSA-N

nitrothal-isopropyl
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C
type: ChemicalCompound
notation: nittliC3y
pubchem: 43704
iupac name: dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate @en
broader: CHEMONTID_0004010
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
type: ChemicalSubstance
inchikey: VJAWBEFMCIINFU-UHFFFAOYSA-N
cas number: 10552-74-6
formula: C14H17NO6
type: Concept

natrium-ortho-fenylfenaat
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
inchikey: KSQXVLVXUFHGJQ-UHFFFAOYSA-M
type: Concept
pubchem: 8587
formula: C12H9NaO
cas number: 132-27-4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: sodium 2-phenylphenolate @en
broader: CHEMONTID_0000041
notation: NaoFyfnt
cas number: 6152-33-6
type: ChemicalSubstance
smiles: C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]

16alfa-ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione
type: Concept
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
notation: org2058
broader: CHEMONTID_0003095
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 119086
cas number: 24320-06-7
inchikey: IJLXLZGJDSJGIQ-BILPMHSYSA-N
formula: C22H32O3
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
type: ChemicalCompound

hydroxybenzothiazole
iupac name: 3H-1,3-benzothiazol-2-one @en
formula: C7H5NOS
cas number: 60362-05-2
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0000311
cas number: 934-34-9
in scheme: Conceptschema Chemische Stoffen
cas number: 92353-21-4
inchikey: YEDUAINPPJYDJZ-UHFFFAOYSA-N
cas number: 4464-59-9
pubchem: 13625
notation: 2HOxbenztazl
alternative label: 2-hydroxybenzothiazol
smiles: C1=CC=C2C(=C1)NC(=O)S2
type: ChemicalCompound
inchi: InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

enalapril
cas number: 75847-73-3
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
in scheme: Conceptschema Chemische Stoffen
inchikey: GBXSMTUPTTWBMN-XIRDDKMYSA-N
type: ChemicalSubstance
iupac name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid @en
type: Concept
broader: CHEMONTID_0004830
pubchem: 5388962
type: ChemicalCompound
notation: enlpl
formula: C20H28N2O5

dichloorbroommethaan
formula: CHBrCl2
broader: CHEMONTID_0004160
alternative label: broomdichloormethaan
inchikey: FMWLUWPQPKEARP-UHFFFAOYSA-N
notation: DClBrC1a
type: ChemicalCompound
inchi: InChI=1S/CHBrCl2/c2-1(3)4/h1H
type: ChemicalSubstance
type: Concept
smiles: C(Cl)(Cl)Br
in scheme: Conceptschema Chemische Stoffen
iupac name: bromo-dichloromethane @en
cas number: 75-27-4
pubchem: 6359

cis-11,14,17-eicosatrieenzuur
notation: c111417C20aT
in scheme: Conceptschema Chemische Stoffen
cas number: 2091-27-2
iupac name: ['(11E,14E,17E)-icosa-11,14,17-trienoic acid', 'icosa-11,14,17-trienoic acid'] @en
pubchem: 5282827
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+
inchikey: AHANXAKGNAKFSK-IUQGRGSQSA-N
type: Concept
smiles: CCC=CCC=CCC=CCCCCCCCCCC(=O)O
type: ChemicalCompound
broader: CHEMONTID_0002949
formula: C20H34O2
type: ChemicalSubstance

dibutyltin (kation)
cas number: 14488-53-0
type: Concept
notation: DC4ySn
type: ChemicalCompound
pubchem: 26713
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: VVAQOYUUECXZAZ-UHFFFAOYSA-N
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
formula: C8H18Sn
smiles: CCC[CH2-].CCC[CH2-].[Sn+2]
broader: CHEMONTID_0003865

benefin
type: ChemicalCompound
type: Concept
inchikey: SMDHCQAYESWHAE-UHFFFAOYSA-N
smiles: CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline @en
notation: benfn
pubchem: 2319
broader: CHEMONTID_0003968
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

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

chloorthal-dimethyl
cas number: 87209-56-1
cas number: 65862-98-8
iupac name: Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate @en
type: ChemicalCompound
type: ChemicalSubstance
formula: C10H6Cl4O4
cas number: 1861-32-1
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
broader: CHEMONTID_0004012
pubchem: 2943
type: Concept
inchikey: NPOJQCVWMSKXDN-UHFFFAOYSA-N
notation: cltDC1y
in scheme: Conceptschema Chemische Stoffen

chloorcyaan
formula: CClN
comment: VLAREM II bijlage 4.4.2
broader: CHEMONTID_0004084
inchi: InChI=1S/CClN/c2-1-3
type: ChemicalCompound
type: ChemicalSubstance
smiles: C(#N)Cl
pubchem: 10477
inchikey: QPJDMGCKMHUXFD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: carbononitridic chloride @en
type: Concept
cas number: 506-77-4

4-butoxybutaanzuur
in scheme: Conceptschema Chemische Stoffen
formula: C8H16O3
pubchem: 41562
broader: CHEMONTID_0000333
smiles: CCCCOCCCC(=O)O
cas number: 55724-73-7
iupac name: 4-BUTOXYBUTANOIC ACID @en
inchikey: IZNAUZVEFQFMON-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C8H16O3/c1-2-3-6-11-7-4-5-8(9)10/h2-7H2,1H3,(H,9,10)
type: ChemicalSubstance
type: ChemicalCompound
notation: 4C4oxC4azr

heptachloornaftaleen
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,5,6,8-Heptachloronaphthalene @en
notation: HpClNaf
type: ChemicalSubstance
inchikey: QYEGXUUXWMKHHS-UHFFFAOYSA-N
formula: C10HCl7
pubchem: 36093
type: ChemicalCompound
type: Concept
cas number: 26444-37-1
broader: CHEMONTID_0004794
cas number: 58863-15-3
cas number: 32241-08-0
inchi: InChI=1S/C10HCl7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1H

tylosine
inchikey: WBPYTXDJUQJLPQ-VMXQISHHSA-N
cas number: 1401-69-0
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 5280440
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
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000282
notation: tylsne
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
type: Concept

n,n-dimethyldecanamide
in scheme: Conceptschema Chemische Stoffen
formula: C12H25NO
cas number: 14433-76-2
broader: CHEMONTID_0001096
type: Concept
notation: NNDC1yC10aAd
pubchem: 26690
smiles: CCCCCCCCCC(=O)N(C)C
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3
inchikey: HNXNKTMIVROLTK-UHFFFAOYSA-N
iupac name: N,N-Dimethyldecanamide @en
alternative label: N,N-dimethyldecanamide

(z)-9-octadeceenzuur butylester
type: Concept
inchikey: WIBFFTLQMKKBLZ-SEYXRHQNSA-N
formula: C22H42O2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: Z-9C18ezrC4y
alternative label: (Z)-9-octadeceenzuur butylester
smiles: CCCCCCCCC=CCCCCCCCC(=O)OCCCC
cas number: 142-77-8
broader: CHEMONTID_0000324
iupac name: butyl (Z)-octadec-9-enoate @en
type: ChemicalSubstance
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-
pubchem: 5354342

4,4'-dichloorbenzofenon
smiles: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl
broader: CHEMONTID_0000120
inchi: InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
inchikey: OKISUZLXOYGIFP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 90-98-2
type: Concept
type: ChemicalSubstance
notation: 44DClbzfnn
type: ChemicalCompound
formula: C13H8Cl2O
iupac name: bis(4-chlorophenyl)methanone @en
pubchem: 7034

koolstof
is referenced by: BOC versie 2.1
iupac name: Carbon @en
is referenced by: WAC III D 050
formula: C
pubchem: 5462310
is referenced by: LUC IV 011
type: ChemicalSubstance
notation: C
is referenced by: CMA 2 II A.7
is referenced by: LUC IV 012
inchikey: OKTJSMMVPCPJKN-UHFFFAOYSA-N
is referenced by: CMA 1 A.6
smiles: [C]
cas number: 7440-44-0
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
is referenced by: LUC IV 000
inchi: InChI=1S/C
broader: CHEMONTID_0000000

2-chloorethanol
cas number: 1867-09-0
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0002608
pubchem: 34
cas number: 59826-67-4
notation: 2ClC2ol
cas number: 107-07-3
in scheme: Conceptschema Chemische Stoffen
formula: C2H5ClO
inchikey: SZIFAVKTNFCBPC-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
smiles: C(CCl)O
iupac name: ['2-CHLOROETHANOL', '2-chloroethynol'] @en

methomyl
in scheme: Conceptschema Chemische Stoffen
cas number: 16752-77-5
inchikey: UHXUZOCRWCRNSJ-QPJJXVBHSA-N
inchi: InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+
cas number: 19928-35-9
pubchem: 5353758
broader: CHEMONTID_0002285
formula: C5H10N2O2S
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
iupac name: (1-methylsulfanylethylideneamino) N-methylcarbamate @en
smiles: CC(=NOC(=O)NC)SC
notation: metml

kaliumchloride
pubchem: 4873
cas number: 7447-40-7
cas number: 126415-35-8
cas number: 12599-00-7
formula: ClK
iupac name: Potassium chloride @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchi: InChI=1S/ClH.K/h1H;/q;+1/p-1
type: Concept
type: ChemicalCompound
smiles: [Cl-].[K+]
broader: CHEMONTID_0000563
cas number: 59217-68-4
notation: KCl
inchikey: WCUXLLCKKVVCTQ-UHFFFAOYSA-M

trietazine
iupac name: 6-Chloro-N,N,N'-triethyl-1,3,5-triazine-2,4-diamine @en
inchikey: HFBWPRKWDIRYNX-UHFFFAOYSA-N
notation: Tetzne
pubchem: 15951
broader: CHEMONTID_0004734
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
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)
smiles: CCNC1=NC(=NC(=N1)Cl)N(CC)CC
in scheme: Conceptschema Chemische Stoffen
formula: C9H16ClN5
cas number: 1912-26-1

miconazol
inchikey: BYBLEWFAAKGYCD-UHFFFAOYSA-N
cas number: 75319-47-0
notation: micanzl
cas number: 22916-47-8
type: ChemicalSubstance
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
type: Concept
iupac name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole @en
formula: C18H14Cl4N2O
in scheme: Conceptschema Chemische Stoffen
pubchem: 4189
broader: CHEMONTID_0002542
type: ChemicalCompound

isofenfos
inchikey: HOQADATXFBOEGG-UHFFFAOYSA-N
broader: CHEMONTID_0001350
cas number: 25311-71-1
in scheme: Conceptschema Chemische Stoffen
cas number: 103982-07-6
type: Concept
formula: C15H24NO4PS
cas number: 61711-63-5
type: ChemicalCompound
type: ChemicalSubstance
cas number: 103982-06-5
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)
cas number: 52907-24-1
notation: iffs
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

fentanyl
type: ChemicalCompound
pubchem: 3345
cas number: 437-38-7
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide @en
formula: C22H28N2O
broader: CHEMONTID_0000372
inchikey: PJMPHNIQZUBGLI-UHFFFAOYSA-N
notation: fentnl
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
type: ChemicalSubstance
cas number: 80832-90-2

moxidectin
cas number: 119719-24-3
broader: CHEMONTID_0002902
type: Concept
in scheme: Conceptschema Chemische Stoffen
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
notation: moxdtn
inchikey: YZBLFMPOMVTDJY-BFPKLJSTSA-N
cas number: 113507-06-5
type: ChemicalCompound
formula: C37H53NO8
pubchem: 9571036
type: ChemicalSubstance
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

1,2-diethoxyethaan (diethylglycol)
formula: C6H14O2
iupac name: 1,2-Diethoxyethane @en
cas number: 629-14-1
inchikey: LZDKZFUFMNSQCJ-UHFFFAOYSA-N
notation: 12DC2oxC2a
pubchem: 12375
type: ChemicalCompound
broader: CHEMONTID_0001167
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
smiles: CCOCCOCC
inchi: InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3

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

barium
type: ChemicalSubstance
pubchem: 5355457
iupac name: BARIUM @en
cas number: 7440-39-3
in scheme: Conceptschema Chemische Stoffen
notation: Ba
smiles: [Ba]
type: Concept
inchikey: DSAJWYNOEDNPEQ-UHFFFAOYSA-N
broader: CHEMONTID_0000428
type: ChemicalCompound
inchi: InChI=1S/Ba
formula: Ba

iprodion
inchikey: ONUFESLQCSAYKA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002282
type: Concept
cas number: 61840-50-4
iupac name: 3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide @en
type: ChemicalSubstance
type: ChemicalCompound
cas number: 36734-19-7
notation: ipDon
pubchem: 37517
formula: C13H13Cl2N3O3

trifenmorf
type: ChemicalCompound
formula: C23H23NO
pubchem: 14993
notation: Tfmf
inchikey: ZJMLMBICUVVJDX-UHFFFAOYSA-N
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
cas number: 1420-06-0
broader: CHEMONTID_0004524
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-[tri(phenyl)methyl]morpholine @en

perfluorpentaanzuur
cas number: 2706-90-3
inchikey: CXZGQIAOTKWCDB-UHFFFAOYSA-N
pubchem: 75921
smiles: C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid @en
notation: PFPA
alternative label: perfluor-n-pentaanzuur
broader: CHEMONTID_0003962
inchi: InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
type: ChemicalCompound
type: ChemicalSubstance
alternative label: perfluor-n-pentaanzuur (pfpea)
formula: C5HF9O2
type: Concept
notation: PFPeA
alternative label: perfluorpentaanzuur (pfpea)

actinium 228
inchikey: QQINRWTZWGJFDB-OUBTZVSYSA-N
formula: Ac
broader: CHEMONTID_0000430
smiles: [Ac]
pubchem: 105063
type: ChemicalSubstance
cas number: 14331-83-0
type: ChemicalCompound
iupac name: actinium-228 @en
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchi: InChI=1S/Ac/i1+1
notation: Ac228

ethoprofos
smiles: CCCSP(=O)(OCC)SCCC
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: VJYFKVYYMZPMAB-UHFFFAOYSA-N
type: ChemicalCompound
notation: etpfs
pubchem: 3289
type: Concept
formula: C8H19O2PS2
cas number: 13194-48-4
broader: CHEMONTID_0001438
inchi: InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3

2-aminoanthrachinon
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-aminoanthracene-9,10-dione @en
type: ChemicalSubstance
notation: 2Aoatcnn
inchikey: XOGPDSATLSAZEK-UHFFFAOYSA-N
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
smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N
type: Concept
cas number: 117-79-3
pubchem: 8341
broader: CHEMONTID_0003952

1,2-diethylbenzeen
inchikey: KVNYFPKFSJIPBJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 135-01-3
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3
cas number: 1300-82-9
cas number: 25340-17-4
broader: CHEMONTID_0002279
iupac name: 1,2-DIETHYLBENZENE @en
formula: C10H14
notation: 12DC2yBen
smiles: CCC1=CC=CC=C1CC
pubchem: 8657

ethidimuron
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)
pubchem: 91596
inchikey: KCOCSOWTADCKOL-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000093
type: ChemicalSubstance
smiles: CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC
cas number: 30043-49-3
notation: etdmrn
formula: C7H12N4O3S2

cholesta-5,24-dien-3-beta-ol
in scheme: Conceptschema Chemische Stoffen
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
formula: C27H44O
broader: CHEMONTID_0001469
type: ChemicalSubstance
inchikey: AVSXSVCZWQODGV-DPAQBDIFSA-N
notation: chol524Den3b
type: ChemicalCompound
type: Concept
cas number: 313-04-2
pubchem: 439577
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

diisopropylamine
type: ChemicalSubstance
pubchem: 7912
formula: C6H15N
cas number: 108-18-9
iupac name: N-propan-2-ylpropan-2-amine @en
type: Concept
notation: DiC3yAe
inchikey: UAOMVDZJSHZZME-UHFFFAOYSA-N
broader: CHEMONTID_0002228
smiles: CC(C)NC(C)C
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3

4-aminodifenyl
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)N
formula: C12H11N
notation: 4AoDFy
iupac name: 4-Phenylaniline @en
type: Concept
pubchem: 7102
inchikey: DMVOXQPQNTYEKQ-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0000041
cas number: 92-67-1
inchi: InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
type: ChemicalSubstance

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

PCB 123
cas number: 65510-44-3
pubchem: 47650
type: ChemicalCompound
type: ChemicalSubstance
alternative label: pcb 123
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 002
inchikey: YAHNWSSFXMVPOU-UHFFFAOYSA-N
comment: VLAR III (D3) 'dioxineachtige PCB's'
notation: PCB123
type: Concept
formula: C12H5Cl5
iupac name: 1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene @en
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
broader: CHEMONTID_0003030
alternative label: 2,3',4,4',5'-pentachloorbifenyl
alternative label: 2',3,4,4',5-pentachloorbifenyl (pcb123)

2-(2-butoxyethoxy)ethylacetaat
broader: CHEMONTID_0001238
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCOCCOCCOC(=O)C
inchi: InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3
cas number: 98100-70-0
type: ChemicalSubstance
cas number: 124-17-4
pubchem: 31288
type: Concept
inchikey: VXQBJTKSVGFQOL-UHFFFAOYSA-N
type: ChemicalCompound
notation: 22C4oxC2ox02
iupac name: 2-(2-Butoxyethoxy)ethyl acetate @en
formula: C10H20O4

2-methylquinoline
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 2-Methylquinoline @en
inchi: InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
formula: C10H9N
type: ChemicalSubstance
notation: 2C1yqnlne
cas number: 91-63-4
broader: CHEMONTID_0001253
cas number: 27601-00-9
smiles: CC1=NC2=CC=CC=C2C=C1
inchikey: SMUQFGGVLNAIOZ-UHFFFAOYSA-N
pubchem: 7060
type: Concept

1,2,3,4-tetrahydro-1,1,6-trimethylnafthaleen
smiles: CC1=CC2=C(C=C1)C(CCC2)(C)C
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 4,4,7-trimethyl-2,3-dihydro-1H-naphthalene @en
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
notation: 1234T4H116TC
pubchem: 68057
formula: C13H18
broader: CHEMONTID_0000048
type: ChemicalSubstance
type: ChemicalCompound
inchikey: LTMQZVLXCLQPCT-UHFFFAOYSA-N
cas number: 475-03-6

rocuronium bromide
pubchem: 441351
type: Concept
cas number: 119302-91-9
type: ChemicalCompound
formula: C32H53BrN2O4
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0001691
notation: rocrnBr
inchikey: OYTJKRAYGYRUJK-FMCCZJBLSA-M

Chemische stoffen die in water gemeten worden.
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: 4-tertiair-octylfenol
member: 3,5-dichlooraniline
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: 2,6-dichloor-4-nitroaniline
member: perfluoroctaanzuur
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: tributyltin
member: diflufenican
member: bromaat
member: chloortoluron

diethatyl
cas number: 38725-95-0
in scheme: Conceptschema Chemische Stoffen
smiles: CCC1=C(C(=CC=C1)CC)N(CC(=O)O)C(=O)CCl
pubchem: 91627
type: Concept
notation: Dettl
iupac name: 2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetic acid @en
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)
formula: C14H18ClNO3
type: ChemicalCompound
broader: CHEMONTID_0002402
inchikey: ISERORSDFSDMDV-UHFFFAOYSA-N
type: ChemicalSubstance

docetaxel
notation: doctxl
broader: CHEMONTID_0000676
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
formula: C43H53NO14
inchikey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 148124
type: Concept
cas number: 114977-28-5
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
in scheme: Conceptschema Chemische Stoffen

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

vinclozolin
inchikey: FSCWZHGZWWDELK-UHFFFAOYSA-N
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
notation: vinczln
pubchem: 39676
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione @en
cas number: 50471-44-8
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
formula: C12H9Cl2NO3
type: Concept

2,6-dimethylfenol
cas number: 576-26-1
type: ChemicalCompound
cas number: 25134-01-4
pubchem: 11335
formula: C8H10O
inchi: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
smiles: CC1=C(C(=CC=C1)C)O
cas number: 50356-22-4
broader: CHEMONTID_0001274
cas number: 28449-96-9
inchikey: NXXYKOUNUYWIHA-UHFFFAOYSA-N
cas number: 1300-71-6
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
iupac name: 2,6-Dimethylphenol @en
notation: 26DC1yFol

2,4,4',5-tetrachloorbifenyl
inchikey: TULCXSBAPHCWCF-UHFFFAOYSA-N
type: Concept
smiles: C1=CC(=CC=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl
pubchem: 36218
iupac name: 1,2,4-trichloro-5-(4-chlorophenyl)benzene @en
notation: PCB74
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-11(15)12(16)6-10(9)14/h1-6H
cas number: 32690-93-0
formula: C12H6Cl4
broader: CHEMONTID_0003030
type: ChemicalSubstance
type: ChemicalCompound

tefluthrin
notation: teftn
formula: C17H14ClF7O2
type: Concept
inchikey: ZFHGXWPMULPQSE-WTKPLQERSA-N
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-
cas number: 79538-32-2
pubchem: 5281874
broader: CHEMONTID_0001097
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
cas number: 76437-51-9
cas number: 93907-48-3
type: ChemicalCompound

hydroxycotinine
in scheme: Conceptschema Chemische Stoffen
inchikey: XOKCJXZZNAUIQN-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 34834-67-8
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
cas number: 27323-64-4
type: ChemicalSubstance
pubchem: 414
notation: HOxctnne
cas number: 37096-14-3
smiles: CN1C(CC(C1=O)O)C2=CN=CC=C2
type: Concept
formula: C10H12N2O2
broader: CHEMONTID_0001975
iupac name: 3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one @en
cas number: 79581-34-3

fenthoaat
inchikey: XAMUDJHXFNRLCY-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C12H17O4PS2
broader: CHEMONTID_0002279
cas number: 61391-87-5
cas number: 61362-00-3
cas number: 2597-03-7
pubchem: 17435
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
type: ChemicalCompound
cas number: 61361-99-7
notation: fentat
iupac name: ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC

diflufenican
type: Concept
type: ChemicalSubstance
cas number: 83164-33-4
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: WYEHFWKAOXOVJD-UHFFFAOYSA-N
broader: CHEMONTID_0004712
formula: C19H11F5N2O2
notation: Dffncn
pubchem: 91735

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

nafcilline
inchikey: AYAPZOUDXCDGIF-FRFVDRIFSA-M
type: ChemicalSubstance
formula: C21H21N2NaO5S
cas number: 147-52-4
cas number: 985-16-0
broader: CHEMONTID_0001189
notation: nafclne
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 64712
type: Concept
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
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

tributylacetylcitraat
broader: CHEMONTID_0002966
type: ChemicalSubstance
inchikey: QZCLKYGREBVARF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3-tributyl 2-acetyloxypropane-1,2,3-tricarboxylate @en
cas number: 37070-91-0
type: ChemicalCompound
type: Concept
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
pubchem: 6505
formula: C20H34O8
cas number: 77-90-7
notation: TC4yactcitt

thoriumdioxide
smiles: O=[Th]=O
type: Concept
cas number: 8006-33-5
in scheme: Conceptschema Chemische Stoffen
cas number: 1314-20-1
type: ChemicalCompound
formula: O2Th
inchi: InChI=1S/2O.Th
cas number: 34321-99-8
inchikey: ZCUFMDLYAMJYST-UHFFFAOYSA-N
iupac name: dioxothorium @en
type: ChemicalSubstance
pubchem: 14808
notation: ThDO
broader: CHEMONTID_0000522

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

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

lood 210
cas number: 14255-04-0
notation: Pb210
pubchem: 6328175
type: ChemicalSubstance
type: Concept
inchikey: WABPQHHGFIMREM-AKLPVKDBSA-N
type: ChemicalCompound
smiles: [Pb]
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Pb/i1+3
iupac name: lead-210 @en
formula: Pb
broader: CHEMONTID_0000427

butocarboximsulfoxide
inchikey: RCTCYOQIGNPQJH-WEVVVXLNSA-N
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
notation: butcbOxmSO
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+
broader: CHEMONTID_0004752
formula: C7H14N2O3S
iupac name: (3-methylsulfinylbutan-2-ylideneamino) N-methylcarbamate @en
pubchem: 9576739
in scheme: Conceptschema Chemische Stoffen
cas number: 34681-24-8
smiles: CC(C(=NOC(=O)NC)C)S(=O)C

propofol
iupac name: 2,6-di(propan-2-yl)phenol @en
notation: propfl
type: ChemicalSubstance
cas number: 2078-54-8
type: ChemicalCompound
cas number: 28449-97-0
smiles: CC(C)C1=C(C(=CC=C1)C(C)C)O
cas number: 50356-15-5
type: Concept
inchikey: OLBCVFGFOZPWHH-UHFFFAOYSA-N
pubchem: 4943
broader: CHEMONTID_0000355
inchi: InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
formula: C12H18O
in scheme: Conceptschema Chemische Stoffen

1,4-dichloorbutaan
cas number: 51104-87-1
smiles: C(CCCl)CCl
formula: C4H8Cl2
inchikey: KJDRSWPQXHESDQ-UHFFFAOYSA-N
inchi: InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
in scheme: Conceptschema Chemische Stoffen
notation: 14DClC4a
iupac name: ['1,4-dichlorobuta-1,3-diyne', '1,4-Dichlorobutane'] @en
type: Concept
broader: CHEMONTID_0001516
type: ChemicalCompound
type: ChemicalSubstance
cas number: 110-56-5
pubchem: 8059

1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinon
inchikey: GUVUOGQBMYCBQP-UHFFFAOYSA-N
notation: 13DC1yT4H21H
broader: CHEMONTID_0000291
type: ChemicalSubstance
formula: C6H12N2O
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CN1CCCN(C1=O)C
cas number: 7226-23-5
iupac name: 1,3-dimethyl-1,3-diazinan-2-one @en
type: Concept
pubchem: 81646
inchi: InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
alternative label: 1,3-dimethyl-3,4,5,6-tetrahydro-2(1h)-pyrimidinon

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

monensin
cas number: 22136-43-2
in scheme: Conceptschema Chemische Stoffen
formula: C36H61NaO11
broader: CHEMONTID_0004472
inchikey: XOIQMTLWECTKJL-PDHYURILSA-M
type: Concept
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
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
notation: monsn
type: ChemicalCompound
cas number: 17090-79-8
type: ChemicalSubstance

triethanolamine
type: ChemicalSubstance
smiles: C(CO)N(CCO)CCO
type: Concept
inchikey: GSEJCLTVZPLZKY-UHFFFAOYSA-N
type: ChemicalCompound
inchi: InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
broader: CHEMONTID_0001897
cas number: 36549-55-0
iupac name: ['2-(bis(2-hydroxyethynyl)amino)ethynol', '2-(bis(2-hydroxyethyl)amino)ethanol'] @en
cas number: 64114-46-1
in scheme: Conceptschema Chemische Stoffen
cas number: 36549-54-9
cas number: 105655-27-4
cas number: 102-71-6
formula: C6H15NO3
cas number: 36659-79-7
notation: TC2olAe
cas number: 36549-53-8
cas number: 20261-61-4
cas number: 126068-67-5
pubchem: 7618

tetracycline hydrochloride
notation: T4cycnHCl
type: ChemicalSubstance
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
inchikey: DYQBMRZOOXYHIM-NCKOGSTASA-N
type: ChemicalCompound
pubchem: 5282243
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
formula: C22H25ClN2O8
cas number: 64-75-5
type: Concept
in scheme: Conceptschema Chemische Stoffen

strontium
cas number: 7440-24-6
pubchem: 5359327
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: CIOAGBVUUVVLOB-UHFFFAOYSA-N
smiles: [Sr]
formula: Sr
broader: CHEMONTID_0000428
iupac name: STRONTIUM @en
notation: Sr
inchi: InChI=1S/Sr

gadopentetinezuur
pubchem: 55466
cas number: 86050-77-3
cas number: 80529-93-7
type: Concept
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
broader: CHEMONTID_0002995
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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
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]
formula: C28H54GdN5O20
inchikey: LGMLJQFQKXPRGA-VPVMAENOSA-K
notation: gadpttnzr
type: ChemicalSubstance

4,4'-thiobisbenzeenamine
type: Concept
cas number: 139-65-1
formula: C12H12N2S
inchikey: ICNFHJVPAJKPHW-UHFFFAOYSA-N
notation: 44thiobBenAe
broader: CHEMONTID_0003864
type: ChemicalCompound
pubchem: 8765
iupac name: 4-(4-aminophenyl)sulfanylaniline @en
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
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC=C1N)SC2=CC=C(C=C2)N
type: ChemicalSubstance

3,4-dinitrofenol
broader: CHEMONTID_0004505
type: ChemicalCompound
formula: C6H4N2O5
type: Concept
type: ChemicalSubstance
iupac name: 3,4-DINITROPHENOL @en
pubchem: 11348
inchikey: AKLOLDQYWQAREW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 577-71-9
inchi: InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H
notation: 34DNO2Fol
smiles: C1=CC(=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-]

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

2-propanol
alternative label: isopropanol
type: ChemicalCompound
cas number: 8013-70-5
cas number: 5131-95-3
type: Concept
is referenced by: LUC IV 000
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 009
pubchem: 3776
inchi: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
cas number: 67-63-0
iupac name: Propan-2-ol @en
notation: 2C3ol
type: ChemicalSubstance
is referenced by: LUC IV 012
broader: CHEMONTID_0001661
smiles: CC(C)O
formula: C3H8O
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
inchikey: KFZMGEQAYNKOFK-UHFFFAOYSA-N

isopropylcyclohexaan
pubchem: 12763
notation: iC3yccC6a
inchikey: GWESVXSMPKAFAS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: propan-2-ylcyclohexane @en
smiles: CC(C)C1CCCCC1
formula: C9H18
type: ChemicalSubstance
type: ChemicalCompound
cas number: 696-29-7
inchi: InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
broader: CHEMONTID_0001016

peryleen
cas number: 198-55-0
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000025
pubchem: 9142
in scheme: Conceptschema Chemische Stoffen
formula: C20H12
cas number: 77392-71-3
iupac name: Perylene @en
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
type: Concept
inchikey: CSHWQDPOILHKBI-UHFFFAOYSA-N
notation: Pe

triisopropylfosfaat
inchi: InChI=1S/C9H21O4P/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-9H,1-6H3
notation: TiC3yPO4
cas number: 513-02-0
inchikey: OXFUXNFMHFCELM-UHFFFAOYSA-N
smiles: CC(C)OP(=O)(OC(C)C)OC(C)C
iupac name: ['tripropan-2-yl phosphate', 'hydroxy-tri(propan-2-yloxy)phosphanium'] @en
type: Concept
broader: CHEMONTID_0003460
type: ChemicalSubstance
type: ChemicalCompound
formula: C9H21O4P
pubchem: 68188
in scheme: Conceptschema Chemische Stoffen

5-beta-cholestan-3-one
cas number: 601-53-6
pubchem: 92132
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
type: ChemicalSubstance
inchikey: PESKGJQREUXSRR-JDIFZLMISA-N
type: ChemicalCompound
broader: CHEMONTID_0001469
type: Concept
formula: C27H46O
notation: 5bcholet3on
in scheme: Conceptschema Chemische Stoffen

1,1-dichloorethyleen
cas number: 39373-50-7
cas number: 9050-12-8
cas number: 120025-75-4
is referenced by: LUC IV 000
alternative label: 1,1-dichlooretheen
smiles: C=C(Cl)Cl
iupac name: 1,1-Dichloroethene @en
pubchem: 6366
cas number: 9002-85-1
broader: CHEMONTID_0001168
type: Concept
cas number: 56590-95-5
notation: 11DClC2e
alternative label: 1,1-dichloorethaan
comment: VLAR II bijl. 4.4.2
cas number: 25038-48-6
type: ChemicalCompound
formula: C2H2Cl2
cas number: 37243-65-5
is referenced by: LUC IV 011
inchikey: LGXVIGDEPROXKC-UHFFFAOYSA-N
cas number: 75-35-4
cas number: 50861-72-8
cas number: 50926-92-6
is referenced by: LUC IV 002
inchi: InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

benzoylbromide
inchikey: AQIHMSVIAGNIDM-UHFFFAOYSA-N
cas number: 618-32-6
type: ChemicalCompound
notation: benzyBr
broader: CHEMONTID_0000176
pubchem: 12056
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
formula: C7H5BrO
iupac name: BENZOYL BROMIDE @en
type: ChemicalSubstance
type: Concept
smiles: C1=CC=C(C=C1)C(=O)Br

laurylsulfaat
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
broader: CHEMONTID_0003929
smiles: CCCCCCCCCCCC.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zn+2]
formula: C12H26O8S2Zn-2
in scheme: Conceptschema Chemische Stoffen
cas number: 22397-58-6
pubchem: 16205018
cas number: 151-41-7
inchikey: MFXAFJHONPALGF-UHFFFAOYSA-J
type: ChemicalSubstance
type: Concept
iupac name: zinc dodecane disulfate @en
notation: C12ySO4
type: ChemicalCompound

dodecyltrimethylammoniumchloride
notation: C12ylTC1ylNH
cas number: 71061-07-9
in scheme: Conceptschema Chemische Stoffen
cas number: 10182-91-9
cas number: 112-00-5
broader: CHEMONTID_0004225
iupac name: dodecyl-trimethylazanium chloride @en
smiles: CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
type: ChemicalSubstance
formula: C15H34ClN
cas number: 59680-23-8
type: ChemicalCompound
pubchem: 8152
type: Concept
cas number: 37293-08-6
inchikey: DDXLVDQZPFLQMZ-UHFFFAOYSA-M
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
cas number: 37380-56-6
cas number: 108779-79-9
cas number: 62395-69-1

fenoprop
smiles: CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl
inchikey: ZLSWBLPERHFHIS-UHFFFAOYSA-N
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)
type: ChemicalCompound
notation: 245TP
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004676
type: ChemicalSubstance
cas number: 93-72-1
alternative label: 2,4,5-trichloorfenoxypropionzuur
pubchem: 7158
cas number: 32795-97-4
iupac name: 2-(2,4,5-trichlorophenoxy)propanoic acid @en
type: Concept
cas number: 7361-37-7
formula: C9H7Cl3O3

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

dichlobenil
broader: CHEMONTID_0002564
inchi: InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
cas number: 1194-65-6
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 3031
formula: C7H3Cl2N
cas number: 104809-79-2
notation: Dcbnl
type: ChemicalCompound
iupac name: 2,6-Dichlorobenzonitrile @en
smiles: C1=CC(=C(C(=C1)Cl)C#N)Cl
inchikey: YOYAIZYFCNQIRF-UHFFFAOYSA-N
type: Concept

diclofenac
iupac name: 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid @en
inchikey: DCOPUUMXTXDBNB-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound
pubchem: 3033
broader: CHEMONTID_0002564
cas number: 15307-86-5
notation: Dclofnc
formula: C14H11Cl2NO2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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)

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

methyl-tertiair-butylether
formula: C5H12O
alternative label: methyl-tert.butyl-ether (mtbe)
inchi: InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
pubchem: 15413
broader: CHEMONTID_0001167
notation: C1yttC4yEtr
iupac name: 2-Methoxy-2-methylpropane @en
smiles: CC(C)(C)OC
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 1634-04-4
inchikey: BZLVMXJERCGZMT-UHFFFAOYSA-N

monoethylhexylftalaat (MEHP)
pubchem: 20393
type: ChemicalCompound
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)
inchikey: DJDSLBVSSOQSLW-UHFFFAOYSA-N
iupac name: 2-(2-ethylhexoxycarbonyl)benzoic acid @en
type: Concept
alternative label: monoethylhexylftalaat (mehp)
type: ChemicalSubstance
cas number: 4376-20-9
notation: MEHP
broader: CHEMONTID_0001350
smiles: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O
formula: C16H22O4
in scheme: Conceptschema Chemische Stoffen

triazofos
type: ChemicalSubstance
smiles: CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2
type: Concept
notation: Tazfs
iupac name: diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane @en
alternative label: triazophos
inchikey: AMFGTOFWMRQMEM-UHFFFAOYSA-N
cas number: 24017-47-8
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003314
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
type: ChemicalCompound
pubchem: 32184

atenolol
smiles: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
cas number: 29122-68-7
notation: atnll
in scheme: Conceptschema Chemische Stoffen
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)
inchikey: METKIMKYRPQLGS-UHFFFAOYSA-N
type: Concept
broader: CHEMONTID_0002363
pubchem: 2249
cas number: 60966-51-0
type: ChemicalSubstance
formula: C14H22N2O3
iupac name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide @en
type: ChemicalCompound

thiofanox
smiles: CC(C)(C)C(=NOC(=O)NC)CSC
iupac name: [(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate @en
formula: C9H18N2O2S
pubchem: 5364932
type: ChemicalCompound
inchikey: FZSVSABTBYGOQH-XFFZJAGNSA-N
notation: tofnx
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004752
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-
type: Concept
cas number: 39196-18-4

2,3,4,4',5,6-hexachloorbifenyl
type: ChemicalCompound
inchikey: BTOCFTAWZMMTNB-UHFFFAOYSA-N
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
broader: CHEMONTID_0003030
formula: C12H4Cl6
in scheme: Conceptschema Chemische Stoffen
cas number: 41411-63-6
notation: PCB166
type: Concept
type: ChemicalSubstance
pubchem: 63077

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

aldicarbsulfoxide
type: Concept
notation: alDcSO
broader: CHEMONTID_0004752
in scheme: Conceptschema Chemische Stoffen
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+
type: ChemicalSubstance
pubchem: 9568700
formula: C7H14N2O3S
inchikey: BXPMAGSOWXBZHS-WEVVVXLNSA-N
type: ChemicalCompound
smiles: CC(C)(C=NOC(=O)NC)S(=O)C
iupac name: [(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate @en
cas number: 1646-87-3

2-aminobenzothiazool
cas number: 120045-46-7
inchikey: UHGULLIUJBCTEF-UHFFFAOYSA-N
pubchem: 8706
smiles: C1=CC=C2C(=C1)N=C(S2)N
formula: C7H6N2S
type: ChemicalSubstance
cas number: 35858-53-8
type: ChemicalCompound
notation: 2Aobztzl
cas number: 136-95-8
type: Concept
broader: CHEMONTID_0000311
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
in scheme: Conceptschema Chemische Stoffen

flucycloxuron
cas number: 113036-88-7
inchikey: PCKNFPQPGUWFHO-UQRQXUALSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C25H20ClF2N3O3
broader: CHEMONTID_0001935
type: ChemicalCompound
pubchem: 6537963
type: Concept
notation: fluccxrn

1,2,4-trimethylbenzeen
cas number: 95-63-6
is referenced by: LUC IV 001
smiles: CC1=CC(=C(C=C1)C)C
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II bijl. 4.4.2 'trimethylbenzeen'
is referenced by: LUC IV 011
cas number: 95-36-3
inchi: InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
type: Concept
is referenced by: LUC IV 000
inchikey: GWHJZXXIDMPWGX-UHFFFAOYSA-N
type: ChemicalCompound
formula: C9H12
type: ChemicalSubstance
pubchem: 7247
broader: CHEMONTID_0002279
iupac name: 1,2,4-Trimethylbenzene @en
notation: 124TC1yBen

gemfibrozil
smiles: CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O
inchikey: HEMJJKBWTPKOJG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 25812-30-0
pubchem: 3463
iupac name: 5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid @en
formula: C15H22O3
type: ChemicalSubstance
broader: CHEMONTID_0002341
type: ChemicalCompound
notation: gemfbzl
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)

1-(pentyloctyl)-benzeen
smiles: CCCCCCCC(CCCCC)C1=CC=CC=C1
type: Concept
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
type: ChemicalSubstance
iupac name: tridecan-6-ylbenzene @en
broader: CHEMONTID_0002279
pubchem: 20632
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C19H32
cas number: 4534-49-0
inchikey: OTSYFFDVDLHIKX-UHFFFAOYSA-N
notation: 1C5yC8yBen

thiazafluron
cas number: 25366-23-8
broader: CHEMONTID_0004668
smiles: CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F
notation: thiazfrn
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)
in scheme: Conceptschema Chemische Stoffen
inchikey: BBJPZPLAZVZTGR-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 32921
iupac name: 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea @en
type: ChemicalCompound
type: Concept

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

alprazolam
iupac name: 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine @en
formula: C17H13ClN4
type: Concept
broader: CHEMONTID_0004226
notation: alpzlm
cas number: 28981-97-7
type: ChemicalSubstance
inchikey: VREFGVBLTWBCJP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalCompound
pubchem: 2118

oxychloordaan
type: ChemicalCompound
inchikey: VWGNQYSIWFHEQU-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: 1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene @en
cas number: 26880-48-8
in scheme: Conceptschema Chemische Stoffen
cas number: 27304-13-8
formula: C10H4Cl8O
broader: CHEMONTID_0002012
pubchem: 33772
notation: OxCldn
type: Concept
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
alternative label: oxychlordaan

losartan
type: Concept
inchikey: PSIFNNKUMBGKDQ-UHFFFAOYSA-N
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)
cas number: 114798-26-4
notation: lostan
type: ChemicalSubstance
pubchem: 3961
in scheme: Conceptschema Chemische Stoffen
formula: C22H23ClN6O
iupac name: [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol @en
type: ChemicalCompound
broader: CHEMONTID_0000041

fluazifop-P-butyl
broader: CHEMONTID_0004677
pubchem: 3033674
formula: C19H20F3NO4
notation: fluazfPC4y
in scheme: Conceptschema Chemische Stoffen
alternative label: fluazifop-p-butyl
inchikey: VAIZTNZGPYBOGF-CYBMUJFWSA-N
iupac name: butyl (2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
type: ChemicalSubstance
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
cas number: 79241-46-6
type: ChemicalCompound
type: Concept

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

amberonne
cas number: 54464-57-2
pubchem: 108242
type: ChemicalCompound
iupac name: 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone @en
inchikey: FVUGZKDGWGKCFE-UHFFFAOYSA-N
smiles: CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C
type: Concept
cas number: 166090-45-5
broader: CHEMONTID_0000118
cas number: 239809-44-0
notation: OTNE
in scheme: Conceptschema Chemische Stoffen
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
formula: C16H26O
type: ChemicalSubstance

acifluorfen-natriumzout
pubchem: 44072
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
type: ChemicalSubstance
formula: C14H6ClF3NNaO5
type: ChemicalCompound
inchikey: RVULBHWZFCBODE-UHFFFAOYSA-M
broader: CHEMONTID_0004155
cas number: 94128-03-7
cas number: 63748-59-4
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: acFfNazt
cas number: 62476-59-9

broomchloormethaan
iupac name: bromo-chloromethane @en
smiles: C(Cl)Br
notation: halon1011
broader: CHEMONTID_0004157
cas number: 74-97-5
cas number: 83847-49-8
type: ChemicalSubstance
formula: CH2BrCl
pubchem: 6333
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 13590-47-1
inchi: InChI=1S/CH2BrCl/c2-1-3/h1H2
type: ChemicalCompound
inchikey: JPOXNPPZZKNXOV-UHFFFAOYSA-N

chloorazijnzuur
inchikey: FOCAUTSVDIKZOP-UHFFFAOYSA-N
pubchem: 300
broader: CHEMONTID_0003000
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
smiles: C(C(=O)O)Cl
in scheme: Conceptschema Chemische Stoffen
notation: ClHAc
iupac name: 2-chloroacetic acid @en
cas number: 79-11-8
type: ChemicalCompound
formula: C2H3ClO2

zinkoxide
broader: CHEMONTID_0000538
notation: ZnO
type: ChemicalCompound
type: ChemicalSubstance
smiles: O=[Zn]
cas number: 8047-69-6
cas number: 8011-84-5
inchi: InChI=1S/O.Zn
in scheme: Conceptschema Chemische Stoffen
inchikey: XLOMVQKBTHCTTD-UHFFFAOYSA-N
pubchem: 14806
formula: OZn
cas number: 1314-13-2
cas number: 8050-42-8
cas number: 56592-00-8
cas number: 8047-36-7
iupac name: oxozinc @en
cas number: 78590-82-6
type: Concept
cas number: 185461-95-4
cas number: 57206-86-7
cas number: 8051-03-4

benazolin-ethyl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 25059-80-7
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
inchikey: WQRCEBAZAUAUQC-UHFFFAOYSA-N
smiles: CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=O
broader: CHEMONTID_0000394
notation: benzlnC2y
iupac name: ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate @en
formula: C11H10ClNO3S
in scheme: Conceptschema Chemische Stoffen
pubchem: 3034351

secobarbital
type: ChemicalSubstance
cas number: 76-73-3
in scheme: Conceptschema Chemische Stoffen
iupac name: 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione @en
type: ChemicalCompound
formula: C12H18N2O3
inchikey: KQPKPCNLIDLUMF-UHFFFAOYSA-N
smiles: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
type: Concept
notation: secbbtl
pubchem: 5193
cas number: 29071-21-4
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)
broader: CHEMONTID_0000292

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

demeton-o
formula: C8H19O3PS2
type: ChemicalCompound
cas number: 298-03-3
pubchem: 9273
broader: CHEMONTID_0003384
type: ChemicalSubstance
notation: demtnO
type: Concept
iupac name: diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane @en
smiles: CCOP(=S)(OCC)OCCSCC
inchikey: DGLIBALSRMUQDD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
alternative label: demeton-O
inchi: InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3

dibenzo(a,l)pyreen
cas number: 189-55-9
notation: DBalP
broader: CHEMONTID_0000316
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
pubchem: 9106
formula: C24H14
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
inchikey: TUGYIJVAYAHHHM-UHFFFAOYSA-N
type: ChemicalSubstance
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

2,3-xylidine
type: ChemicalSubstance
broader: CHEMONTID_0004210
cas number: 1300-73-8
pubchem: 6893
notation: 23xyldne
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3-Dimethylaniline @en
type: Concept
cas number: 87-59-2
inchi: InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3
formula: C8H11N
inchikey: VVAKEQGKZNKUSU-UHFFFAOYSA-N
smiles: CC1=C(C(=CC=C1)N)C

endrin
pubchem: 3048
inchikey: DFBKLUNHFCTMDC-UHFFFAOYSA-N
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
notation: endn
type: Concept
type: ChemicalCompound
iupac name: 3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene @en
broader: CHEMONTID_0001549
cas number: 72-20-8
formula: C12H8Cl6O
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

diaceton-L-sorbose
iupac name: (4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)methanol @en
type: ChemicalSubstance
smiles: CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)CO)C
pubchem: 140270
inchikey: GQXSDDHYUVYJCQ-UHFFFAOYSA-N
alternative label: diaceton-l-sorbose
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
broader: CHEMONTID_0004472
type: Concept
type: ChemicalCompound
cas number: 17682-70-1
in scheme: Conceptschema Chemische Stoffen
notation: DactLsbse
formula: C12H20O6

clomazon
iupac name: 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one @en
type: ChemicalCompound
type: Concept
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
formula: C12H14ClNO2
pubchem: 54778
cas number: 89493-06-1
notation: clomzn
inchikey: KIEDNEWSYUYDSN-UHFFFAOYSA-N
cas number: 81777-89-1
type: ChemicalSubstance
smiles: CC1(CON(C1=O)CC2=CC=CC=C2Cl)C
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001099

perfluorethylethanol 4:2
pubchem: 74883
inchikey: JCMNMOBHVPONLD-UHFFFAOYSA-N
type: Concept
smiles: C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
notation: 42FTOH
in scheme: Conceptschema Chemische Stoffen
formula: C6H5F9O
type: ChemicalCompound
broader: CHEMONTID_0003967
inchi: InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
type: ChemicalSubstance
iupac name: 3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol @en
cas number: 2043-47-2

benomyl
type: ChemicalSubstance
broader: CHEMONTID_0004711
formula: C14H18N4O3
cas number: 52683-56-4
pubchem: 28780
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)
cas number: 39357-40-9
notation: benml
inchikey: RIOXQFHNBCKOKP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate @en
type: Concept
type: ChemicalCompound
smiles: CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC
cas number: 17804-35-2

hexaan
smiles: CCCCCC
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
type: ChemicalSubstance
iupac name: Hexane @en
cas number: 68476-44-8
type: ChemicalCompound
inchi: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
is referenced by: LUC IV 000
cas number: 92112-69-1
broader: CHEMONTID_0002500
is referenced by: LUC IV 011
pubchem: 8058
formula: C6H14
type: Concept
notation: C6a
alternative label: n-hexaan
cas number: 110-54-3
cas number: 8031-34-3
is referenced by: LUC IV 006
inchikey: VLKZOEOYAKHREP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

2-methoxy-1-propanol
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 1589-47-5
inchikey: YTTFFPATQICAQN-UHFFFAOYSA-N
notation: 2C1ox1C3ol
cas number: 148616-44-8
formula: C4H10O2
cas number: 28677-93-2
inchi: InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3
iupac name: 2-methoxypropan-1-ol @en
smiles: CC(CO)OC
type: ChemicalSubstance
pubchem: 14846
broader: CHEMONTID_0001167

2-methoxyaniline
inchikey: VMPITZXILSNTON-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept
cas number: 29191-52-4
in scheme: Conceptschema Chemische Stoffen
cas number: 90-04-0
broader: CHEMONTID_0004670
formula: C7H9NO
inchi: InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
notation: 2C1oxAn
iupac name: 2-Methoxyaniline @en
smiles: COC1=CC=CC=C1N
pubchem: 7000
type: ChemicalCompound

eprosartan
type: ChemicalSubstance
cas number: 133040-01-4
broader: CHEMONTID_0002565
inchikey: OROAFUQRIXKEMV-LDADJPATSA-N
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
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+
notation: epstn
pubchem: 5281037
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C23H24N2O4S
type: ChemicalCompound

2,2-dimethoxybutaan
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2-Dimethoxybutane @en
smiles: CCC(C)(OC)OC
formula: C6H14O2
inchikey: OXQHJIGWZNIQDS-UHFFFAOYSA-N
inchi: InChI=1S/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3
type: ChemicalCompound
broader: CHEMONTID_0004472
cas number: 3453-99-4
type: Concept
notation: 22DC1oxC4a
pubchem: 137941

terbutylazine
type: Concept
cas number: 5915-41-3
inchikey: FZXISNSWEXTPMF-UHFFFAOYSA-N
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
type: ChemicalSubstance
alternative label: terbuthylazine
type: ChemicalCompound
cas number: 63026-57-3
smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C
in scheme: Conceptschema Chemische Stoffen
formula: C9H16ClN5
broader: CHEMONTID_0001693
pubchem: 22206
notation: terC4yazne

glyceroldiacetaat
pubchem: 66021
notation: glycrDactt
type: ChemicalSubstance
formula: C7H12O5
smiles: CC(=O)OCC(CO)OC(=O)C
cas number: 25395-31-7
inchi: InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3
cas number: 102-62-5
iupac name: (1-acetyloxy-3-hydroxypropan-2-yl) acetate @en
type: ChemicalCompound
type: Concept
cas number: 29860-16-0
broader: CHEMONTID_0001644
cas number: 1300-63-6
cas number: 101364-64-1
in scheme: Conceptschema Chemische Stoffen
inchikey: UXDDRFCJKNROTO-UHFFFAOYSA-N

vanilline
type: Concept
iupac name: 4-Hydroxy-3-methoxybenzaldehyde @en
inchi: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
cas number: 8014-42-4
formula: C8H8O3
cas number: 52447-63-9
broader: CHEMONTID_0000190
in scheme: Conceptschema Chemische Stoffen
smiles: COC1=C(C=CC(=C1)C=O)O
cas number: 121-33-5
type: ChemicalCompound
notation: vanlne
pubchem: 1183
inchikey: MWOOGOJBHIARFG-UHFFFAOYSA-N
type: ChemicalSubstance

formetanaat-hydrochloride
cas number: 23422-53-9
cas number: 18413-17-7
cas number: 22259-30-9
cas number: 26445-73-8
in scheme: Conceptschema Chemische Stoffen
type: Concept
alternative label: formetanaat
pubchem: 31899
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
formula: C11H16ClN3O2
smiles: CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl
iupac name: [3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate hydrochloride @en
inchikey: MYPKGPZHHQEODQ-UHFFFAOYSA-N
notation: formtnHCl
broader: CHEMONTID_0004640
type: ChemicalSubstance
notation: formtnt
type: ChemicalCompound

brucine
broader: CHEMONTID_0002749
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
type: Concept
cas number: 357-57-3
pubchem: 9649
notation: brucne
inchikey: RRKTZKIUPZVBMF-PLNGPGDESA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 70206-61-0
formula: C23H26N2O4
cas number: 54193-32-7
type: ChemicalSubstance
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
cas number: 193198-03-7
cas number: 101324-32-7

decyl 9-octadecenoaat
type: ChemicalSubstance
smiles: CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC
notation: C10y9C18enat
broader: CHEMONTID_0003322
cas number: 3687-46-5
inchikey: SASYSVUEVMOWPL-NXVVXOECSA-N
iupac name: decyl (Z)-octadec-9-enoate @en
type: Concept
formula: C28H54O2
type: ChemicalCompound
pubchem: 5363234
in scheme: Conceptschema Chemische Stoffen
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-

1-chloor-4-nitrobenzeen
pubchem: 7474
type: Concept
type: ChemicalSubstance
formula: C6H4ClNO2
cas number: 100-00-5
notation: 1Cl4NO2Ben
smiles: C1=CC(=CC=C1[N+](=O)[O-])Cl
type: ChemicalCompound
broader: CHEMONTID_0000036
inchikey: CZGCEKJOLUNIFY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-Chloro-4-nitrobenzene @en
inchi: InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

borneol
inchikey: DTGKSKDOIYIVQL-UHFFFAOYSA-N
broader: CHEMONTID_0001564
cas number: 10385-78-1
formula: C10H18O
smiles: CC1(C2CCC1(C(C2)O)C)C
type: ChemicalCompound
type: Concept
cas number: 507-70-0
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 64685
inchi: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
notation: bornol
iupac name: 1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol @en

2-acetylfuran
type: ChemicalSubstance
smiles: CC(=O)C1=CC=CO1
iupac name: 1-furan-2-ylethanone @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 14505
cas number: 1192-62-7
cas number: 80145-44-4
type: ChemicalCompound
inchi: InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
broader: CHEMONTID_0003671
inchikey: IEMMBWWQXVXBEU-UHFFFAOYSA-N
formula: C6H6O2
notation: 2actfrn
type: Concept

jotalaminezuur
notation: jotlmnzr
broader: CHEMONTID_0004361
iupac name: sodium 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate @en
cas number: 1225-20-3
smiles: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.[Na+]
pubchem: 14663
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C11H8I3N2NaO4
cas number: 15845-98-4
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
type: ChemicalCompound
type: ChemicalSubstance
inchikey: WCIMWHNSWLLELS-UHFFFAOYSA-M
cas number: 2276-90-6

2,2',3,3',4,5,5'-heptachloorbifenyl
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 52663-74-8
formula: C12H3Cl7
pubchem: 40481
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
type: Concept
type: ChemicalCompound
inchikey: HOPMUCXYRNOABF-UHFFFAOYSA-N
notation: PCB172
broader: CHEMONTID_0003030
iupac name: 1,2,3,4-tetrachloro-5-(2,3,5-trichlorophenyl)benzene @en

guanylureum
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)
type: Concept
smiles: C(=NC(=O)N)(N)N.C(=NC(=O)N)(N)N.OS(=O)(=O)O
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: IATXFPUBPMZBPH-UHFFFAOYSA-N
cas number: 591-01-5
formula: C4H14N8O6S
broader: CHEMONTID_0001180
pubchem: 11555
iupac name: diaminomethylideneurea;sulfuric acid @en
type: ChemicalSubstance
notation: guanurum
cas number: 141-83-3

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

pendimethalin
in scheme: Conceptschema Chemische Stoffen
notation: pendmtln
cas number: 64667-17-0
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
cas number: 39336-60-2
cas number: 155421-40-2
cas number: 64719-41-1
formula: C13H19N3O4
type: ChemicalCompound
iupac name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline @en
type: ChemicalSubstance
inchikey: CHIFOSRWCNZCFN-UHFFFAOYSA-N
type: Concept
pubchem: 38479
cas number: 40487-42-1
smiles: CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
broader: CHEMONTID_0003968

p-tertiair-butyltolueen
cas number: 98-51-1
broader: CHEMONTID_0002811
iupac name: 1-tert-Butyl-4-methylbenzene @en
type: ChemicalCompound
notation: pttC4yTol
inchi: InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
formula: C11H16
smiles: CC1=CC=C(C=C1)C(C)(C)C
inchikey: QCWXDVFBZVHKLV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 7390
type: ChemicalSubstance
type: Concept

diltiazem
pubchem: 39186
in scheme: Conceptschema Chemische Stoffen
formula: C22H26N2O4S
notation: diltazm
inchikey: HSUGRBWQSSZJOP-RTWAWAEBSA-N
broader: CHEMONTID_0000317
type: ChemicalCompound
cas number: 42399-41-7
type: ChemicalSubstance
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
type: Concept
iupac name: [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate @en

cesium 136
iupac name: cesium-136 @en
type: ChemicalSubstance
cas number: 14234-29-8
broader: CHEMONTID_0000425
pubchem: 6335316
inchikey: TVFDJXOCXUVLDH-AKLPVKDBSA-N
inchi: InChI=1S/Cs/i1+3
type: Concept
notation: Cs136
formula: Cs
smiles: [Cs]
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

benfuracarb
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
cas number: 88650-68-4
pubchem: 54886
type: ChemicalSubstance
notation: benfrcb
formula: C20H30N2O5S
inchikey: FYZBOYWSHKHDMT-UHFFFAOYSA-N
broader: CHEMONTID_0004189
type: ChemicalCompound
iupac name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate @en
cas number: 82560-54-1

tiamuline
cas number: 55297-95-5
inchikey: UURAUHCOJAIIRQ-QGLSALSOSA-N
formula: C28H47NO4S
pubchem: 656958
type: ChemicalCompound
type: ChemicalSubstance
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
notation: tiamlne
alternative label: thiamuline
type: Concept
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0002003

undeceenzuur
iupac name: Undec-10-enoic acid @en
cas number: 1333-28-4
type: ChemicalSubstance
type: Concept
notation: C11ezr
inchikey: FRPZMMHWLSIFAZ-UHFFFAOYSA-N
formula: C11H20O2
smiles: C=CCCCCCCCCC(=O)O
inchi: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
broader: CHEMONTID_0003086
cas number: 112-38-9
pubchem: 5634
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

isofenfos-oxon
type: ChemicalSubstance
iupac name: propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzoate @en
type: ChemicalCompound
inchikey: DZUPKTNAUCDVTL-UHFFFAOYSA-N
type: Concept
pubchem: 35736
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)
cas number: 31120-85-1
broader: CHEMONTID_0001350
smiles: CCOP(=O)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C
notation: iffOon
formula: C15H24NO5P
in scheme: Conceptschema Chemische Stoffen

isoquinoline
broader: CHEMONTID_0002566
iupac name: Isoquinoline @en
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
cas number: 119-65-3
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C2C=NC=CC2=C1
formula: C9H7N
pubchem: 8405
inchikey: AWJUIBRHMBBTKR-UHFFFAOYSA-N
type: ChemicalSubstance
notation: iqnlne

oxolinezuur
inchikey: KYGZCKSPAKDVKC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0002552
notation: Oolnzr
smiles: CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O
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)
type: ChemicalCompound
formula: C13H11NO5
cas number: 14698-29-4
pubchem: 4628
type: Concept
iupac name: 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid @en

2,2',3,3',4,5,6-heptachloorbifenyl
inchikey: KJBDZJFSYQUNJT-UHFFFAOYSA-N
cas number: 40186-70-7
type: Concept
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: 1,2,3,5-tetrachloro-4-(2,3,5-trichlorophenyl)benzene @en
notation: PCB175
broader: CHEMONTID_0003030
pubchem: 91633

dodemorf
pubchem: 61898
cas number: 1593-77-7
smiles: CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O
formula: C20H39NO3
notation: dodmf
type: ChemicalSubstance
inchikey: YLJLLELGHSWIDU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 31717-87-0
type: ChemicalCompound
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)
broader: CHEMONTID_0001205
type: Concept
iupac name: acetic acid; 4-cyclododecyl-2,6-dimethylmorpholine @en

2-(cyclohexylaminothio)benzothiazool
broader: CHEMONTID_0000311
type: ChemicalCompound
notation: 2ccC6yAotobz
type: ChemicalSubstance
iupac name: N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine @en
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
cas number: 95-33-0
cas number: 108251-59-8
pubchem: 7232
smiles: C1CCC(CC1)NSC2=NC3=CC=CC=C3S2
cas number: 51540-81-9
cas number: 156014-54-9
inchikey: DEQZTKGFXNUBJL-UHFFFAOYSA-N
formula: C13H16N2S2

2,3,3,3-tetrafluor-2-(heptafluorpropoxy)propionzuur
alternative label: perfluor-2-propoxypropaanzuur (hfpo-da)
pubchem: 114481
notation: HFPO-DA
broader: CHEMONTID_0003000
iupac name: 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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)
cas number: 13252-13-6
alternative label: perfluor-2-propoxypropaanzuur
inchikey: CSEBNABAWMZWIF-UHFFFAOYSA-N
cas number: 26099-32-1
type: Concept
formula: C6HF11O3
notation: FRD-903
alternative label: 2,3,3,3-tetrafluor-2(heptafluorpropoxy)propionzuur
type: ChemicalCompound

1,2-dibroomtetrafluorethaan
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: KVBKAPANDHPRDG-UHFFFAOYSA-N
notation: halon2402
smiles: C(C(F)(F)Br)(F)(F)Br
cas number: 76199-55-8
pubchem: 31301
iupac name: 1,2-Dibromo-1,1,2,2-tetrafluoroethane @en
broader: CHEMONTID_0001517
type: ChemicalCompound
cas number: 124-73-2
inchi: InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8
type: ChemicalSubstance
formula: C2Br2F4

sec-butylamine
type: ChemicalCompound
broader: CHEMONTID_0000469
pubchem: 24874
inchi: InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
formula: C4H11N
inchikey: BHRZNVHARXXAHW-UHFFFAOYSA-N
iupac name: butan-2-amine @en
notation: secC4yAe
cas number: 13250-12-9
cas number: 13952-84-6
type: ChemicalSubstance
cas number: 513-49-5
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 33966-50-6
cas number: 776995-07-4
smiles: CCC(C)N

icaridin
notation: icrdn
formula: C12H23NO3
cas number: 119515-38-7
smiles: CCC(C)OC(=O)N1CCCCC1CCO
type: Concept
iupac name: butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate @en
type: ChemicalSubstance
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
pubchem: 125098
type: ChemicalCompound
broader: CHEMONTID_0002411
in scheme: Conceptschema Chemische Stoffen
cas number: 658051-75-3
inchikey: QLHULAHOXSSASE-UHFFFAOYSA-N

desfenylchloridazon
inchi: InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 6339-19-1
inchikey: FEWPCPCEGBPTAL-UHFFFAOYSA-N
formula: C4H4ClN3O
notation: desFyClidzn
in scheme: Conceptschema Chemische Stoffen
iupac name: 5-amino-4-chloro-2H-pyridazin-3-one @en
smiles: C1=NNC(=O)C(=C1N)Cl
pubchem: 95827
broader: CHEMONTID_0001924

acetamiprid
iupac name: N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide @en
type: Concept
cas number: 160430-64-8
formula: C10H11ClN4
inchikey: WCXDHFDTOYPNIE-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0004532
type: ChemicalSubstance
pubchem: 213021
notation: actmpd
smiles: CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl
cas number: 135410-20-7
in scheme: Conceptschema Chemische Stoffen
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

1-nitropyreen
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001851
formula: C16H9NO2
type: ChemicalSubstance
cas number: 5522-43-0
in scheme: Conceptschema Chemische Stoffen
pubchem: 21694
iupac name: 1-Nitropyrene @en
cas number: 63021-86-3
inchikey: ALRLPDGCPYIVHP-UHFFFAOYSA-N
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
notation: 1NO2Pyr

foraat-oxon-sulfoxide
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3
formula: C7H17O4PS2
pubchem: 17426
type: Concept
notation: forOonSO
inchikey: RCRHKXGEYNVPDK-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0000491
type: ChemicalSubstance
cas number: 2588-05-8
smiles: CCOP(=O)(OCC)SCS(=O)CC

hexylbenzeen
notation: C6yBen
smiles: CCCCCCC1=CC=CC=C1
formula: C12H18
type: ChemicalCompound
iupac name: Hexylbenzene @en
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
cas number: 1077-16-3
broader: CHEMONTID_0002279
cas number: 1320-01-0
type: Concept
type: ChemicalSubstance
cas number: 74296-34-7
inchikey: LTEQMZWBSYACLV-UHFFFAOYSA-N
pubchem: 14109
in scheme: Conceptschema Chemische Stoffen

perfluordodecaanzuur
alternative label: perfluor-n-dodecaanzuur (pfdoda)
notation: PFDoA
type: ChemicalSubstance
alternative label: perfluor-n-dodecaanzuur
type: Concept
in scheme: Conceptschema Chemische Stoffen
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)
cas number: 307-55-1
pubchem: 67545
inchikey: CXGONMQFMIYUJR-UHFFFAOYSA-N
broader: CHEMONTID_0003962
notation: PFDoDA
alternative label: perfluordodecaanzuur (pfdoda)
type: ChemicalCompound
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

1,3-difenylguanidine
cas number: 39291-21-9
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279
cas number: 55556-10-0
formula: C13H13N3
smiles: C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N
type: ChemicalSubstance
pubchem: 7594
cas number: 102-06-7
cas number: 25323-69-7
type: Concept
cas number: 33505-70-3
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)
inchikey: OWRCNXZUPFZXOS-UHFFFAOYSA-N
iupac name: 1,2-di(phenyl)guanidine @en
notation: 13DFygandne

trifluraline
type: Concept
formula: C13H16F3N3O4
cas number: 75635-23-3
cas number: 71281-30-6
smiles: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
cas number: 1582-09-8
pubchem: 5569
alternative label: trifluralin
iupac name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline @en
inchikey: ZSDSQXJSNMTJDA-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 61373-95-3
cas number: 39300-53-3
cas number: 52627-52-8
broader: CHEMONTID_0003968
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: Tfrlne

2,6,6-trimethyl-1-cyclohexeen-1-carboxaldehyde
iupac name: 2,6,6-Trimethylcyclohexene-1-carbaldehyde @en
in scheme: Conceptschema Chemische Stoffen
formula: C10H16O
type: ChemicalCompound
broader: CHEMONTID_0003940
smiles: CC1=C(C(CCC1)(C)C)C=O
type: Concept
inchikey: MOQGCGNUWBPGTQ-UHFFFAOYSA-N
cas number: 52844-21-0
pubchem: 9895
notation: 226TC1y1ccC6
inchi: InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
cas number: 432-25-7
type: ChemicalSubstance

glufosinaat
alternative label: glufosinaat-ammonium
smiles: CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]
type: Concept
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: azanium 2-amino-4-(hydroxy-methylphosphoryl)butanoate @en
cas number: 82785-28-2
pubchem: 53597
broader: CHEMONTID_0002404
cas number: 106917-54-8
notation: glufsntNH4
inchikey: ZBMRKNMTMPPMMK-UHFFFAOYSA-N
cas number: 118336-14-4
cas number: 77182-82-2
notation: glufsnt
cas number: 51276-47-2
type: ChemicalCompound
formula: C5H15N2O4P

1,1,1,2-tetrachloor-2-fluorethaan
smiles: C(C(Cl)(Cl)Cl)(F)Cl
pubchem: 61104
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 354-11-0
iupac name: 1,1,1,2-Tetrachloro-2-fluoroethane @en
notation: HCFK121a
type: ChemicalCompound
inchikey: SRCNPEKLEHSVCL-UHFFFAOYSA-N
inchi: InChI=1S/C2HCl4F/c3-1(7)2(4,5)6/h1H
broader: CHEMONTID_0001517
formula: C2HCl4F
type: Concept

2-octyl-2h-isothiazool-3-on
iupac name: 2-octyl-1,2-thiazol-3-one @en
in scheme: Conceptschema Chemische Stoffen
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
cas number: 12673-72-2
pubchem: 33528
type: ChemicalCompound
cas number: 53028-82-3
type: Concept
cas number: 122667-23-6
inchikey: JPMIIZHYYWMHDT-UHFFFAOYSA-N
notation: 2C8y2Hitaz3o
type: ChemicalSubstance
broader: CHEMONTID_0000095
cas number: 26530-20-1
formula: C11H19NOS
smiles: CCCCCCCCN1C(=O)C=CS1
alternative label: 2-octyl-2H-isothiazool-3-on

di-(2,3,3,3-tetrachloorpropyl)ether
smiles: C(C(OC(CC(Cl)(Cl)Cl)Cl)Cl)C(Cl)(Cl)Cl
broader: CHEMONTID_0001516
cas number: 127-90-2
inchi: InChI=1S/C6H6Cl8O/c7-3(1-5(9,10)11)15-4(8)2-6(12,13)14/h3-4H,1-2H2
type: Concept
notation: D2333T4ClC3y
inchikey: YEHHNHSVUHPNNT-UHFFFAOYSA-N
pubchem: 31393
iupac name: 1,1,1,3-tetrachloro-3-(1,3,3,3-tetrachloropropoxy)propane @en
in scheme: Conceptschema Chemische Stoffen
formula: C6H6Cl8O
type: ChemicalCompound
type: ChemicalSubstance

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

1-(4-chloorfenyl)ureum
cas number: 1967-26-6
iupac name: (4-CHLOROPHENYL)UREA @en
smiles: C1=CC(=CC=C1NC(=O)N)Cl
broader: CHEMONTID_0001935
notation: 14ClFyurum
pubchem: 8796
in scheme: Conceptschema Chemische Stoffen
inchikey: RECCURWJDVZHIH-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
cas number: 140-38-5
type: ChemicalSubstance
inchi: InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
formula: C7H7ClN2O

dimethomorf
cas number: 110488-70-5
type: Concept
iupac name: (Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one @en
notation: Dmtmf
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 5463781
inchikey: QNBTYORWCCMPQP-JXAWBTAJSA-N
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-
formula: C21H22ClNO4

dibroomchloorazijnzuur
type: ChemicalSubstance
formula: C2HBr2ClO2
broader: CHEMONTID_0003000
cas number: 5278-95-5
smiles: C(=O)(C(Cl)(Br)Br)O
in scheme: Conceptschema Chemische Stoffen
inchikey: UCZDDMGNCJJAHK-UHFFFAOYSA-N
pubchem: 115266
inchi: InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)
iupac name: 2,2-dibromo-2-chloroacetic acid @en
type: Concept
notation: DBrClHAc
type: ChemicalCompound

nonanal
pubchem: 31289
inchikey: GYHFUZHODSMOHU-UHFFFAOYSA-N
cas number: 75718-12-6
iupac name: Nonanal @en
broader: CHEMONTID_0002229
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C9H18O
cas number: 124-19-6
inchi: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
smiles: CCCCCCCCC=O
type: Concept
notation: C9al

p-chlooraniline
pubchem: 7812
iupac name: 4-Chloroaniline @en
type: Concept
broader: CHEMONTID_0000284
smiles: C1=CC(=CC=C1N)Cl
formula: C6H6ClN
cas number: 106-47-8
inchi: InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
inchikey: QSNSCYSYFYORTR-UHFFFAOYSA-N
alternative label: 4-chlooraniline
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 4ClAn
type: ChemicalSubstance

4'-hydroxydiclofenac
notation: 4HoxDcfnc
formula: C14H11Cl2NO3
inchikey: KGVXVPRLBMWZLG-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0002564
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)
type: Concept
type: ChemicalCompound
cas number: 64118-84-9
iupac name: 2-[2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl]acetic acid @en
pubchem: 116545
in scheme: Conceptschema Chemische Stoffen

benzyldimethyltetradecylammoniumchloride
alternative label: C12-C16-alkylbenzyldimethylammoniumchloride
pubchem: 8755
inchikey: OCBHHZMJRVXXQK-UHFFFAOYSA-M
cas number: 68424-85-1
iupac name: benzyl-dimethyl-tetradecylazanium chloride @en
formula: C23H42ClN
cas number: 50641-12-8
broader: CHEMONTID_0003977
cas number: 68391-01-5
cas number: 77465-44-2
in scheme: Conceptschema Chemische Stoffen
alternative label: c12-c16-alkylbenzyldimethylammoniumchloride
cas number: 113497-04-4
type: ChemicalSubstance
type: ChemicalCompound
notation: C12C16akbzDC
cas number: 124548-64-7
notation: benzDC1yC14y
smiles: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
cas number: 139-08-2
type: Concept
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
cas number: 51931-10-3
cas number: 16287-71-1

mebeverine amine
smiles: CCNC(C)CC1=CC=C(C=C1)OC
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C12H19NO
pubchem: 85725
cas number: 14367-46-5
type: Concept
notation: mebvrnAm
inchikey: USBWBBAUWVUJLA-UHFFFAOYSA-N
iupac name: N-ethyl-1-(4-methoxyphenyl)propan-2-amine @en
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
broader: CHEMONTID_0000188
type: ChemicalSubstance

oxamyl
notation: Oaml
pubchem: 9595287
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0001664
formula: C7H13N3O3S
cas number: 23135-22-0
inchikey: KZAUOCCYDRDERY-UITAMQMPSA-N
iupac name: [(2-dimethylamino-1-methylsulfanyl-2-oxoethylidene)amino] N-methylcarbamate @en
type: ChemicalCompound
type: Concept
smiles: CNC(=O)ON=C(C(=O)N(C)C)SC
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-

chroom (zeswaardig)
type: ChemicalSubstance
notation: CrVI
iupac name: chromium(+6) cation @en
broader: CHEMONTID_0000426
type: Concept
type: ChemicalCompound
inchi: InChI=1S/Cr/q+6
alternative label: chroom, zeswaardig
formula: Cr+6
inchikey: JOPOVCBBYLSVDA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 18540-29-9
pubchem: 29131
smiles: [Cr+6]

versalide
iupac name: 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone @en
cas number: 1401-76-9
type: Concept
type: ChemicalCompound
smiles: CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C
formula: C18H26O
cas number: 88-29-9
pubchem: 6930
broader: CHEMONTID_0000048
inchikey: KSEZPRJUTHMFGZ-UHFFFAOYSA-N
notation: verslde
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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

1-ethylnaftaleen
smiles: CCC1=CC=CC2=CC=CC=C21
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0000023
inchikey: ZMXIYERNXPIYFR-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 1-Ethylnaphthalene @en
inchi: InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3
cas number: 27138-19-8
formula: C12H12
cas number: 1127-76-0
notation: 1C2yNaf
pubchem: 14315

(1-propylnonyl)-benzeen
type: Concept
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
smiles: CCCCCCCCC(CCC)C1=CC=CC=C1
iupac name: dodecan-4-ylbenzene @en
notation: 1C3yC9yBen
type: ChemicalCompound
inchikey: RHDHXBLZBVAPTL-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 2719-64-4
formula: C18H30
type: ChemicalSubstance
pubchem: 17631
broader: CHEMONTID_0002279

etoposide
cas number: 136598-18-0
cas number: 201594-04-9
cas number: 51854-34-3
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
notation: etpsde
type: Concept
inchikey: VJJPUSNTGOMMGY-MRVIYFEKSA-N
cas number: 33419-42-0
type: ChemicalCompound
cas number: 76576-58-4
cas number: 35317-32-9
formula: C29H32O13
pubchem: 36462
in scheme: Conceptschema Chemische Stoffen
cas number: 121471-01-0
type: ChemicalSubstance
broader: CHEMONTID_0000047
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

2,2',3,3',4,4',5,5',6,6'-decachloorbifenyl
broader: CHEMONTID_0003030
type: ChemicalSubstance
type: Concept
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
notation: PCB209
cas number: 2051-24-3
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene @en
type: ChemicalCompound
pubchem: 16318
formula: C12Cl10
inchikey: ONXPZLFXDMAPRO-UHFFFAOYSA-N

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

tribroomazijnzuur
formula: C2Br3O2-
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2,2-tribromoacetate @en
type: ChemicalSubstance
broader: CHEMONTID_0003000
type: ChemicalCompound
type: Concept
notation: TBrHAc
pubchem: 6414
inchikey: QIONYIKHPASLHO-UHFFFAOYSA-M
inchi: InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1
cas number: 75-96-7
smiles: C(=O)(C(Br)(Br)Br)[O-]

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

cyproteronacetaat
formula: C24H29ClO4
type: Concept
in scheme: Conceptschema Chemische Stoffen
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
inchikey: UWFYSQMTEOIJJG-FDTZYFLXSA-N
broader: CHEMONTID_0001468
cas number: 427-51-0
type: ChemicalSubstance
pubchem: 9880
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
notation: cyptractt
type: ChemicalCompound

flufenazine
pubchem: 3372
cas number: 47646-09-3
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
type: Concept
iupac name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol @en
notation: flufnzne
type: ChemicalCompound
inchikey: PLDUPXSUYLZYBN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000310
type: ChemicalSubstance
formula: C22H26F3N3OS
cas number: 69-23-8

2,2',3,4,4',5,6,6'-octachloorbifenyl
inchikey: JDZUWXRNKHXZFE-UHFFFAOYSA-N
iupac name: 1,2,3,4,5-pentachloro-6-(2,4,6-trichlorophenyl)benzene @en
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
type: ChemicalCompound
pubchem: 91721
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
type: Concept
formula: C12H2Cl8
cas number: 74472-52-9
type: ChemicalSubstance
notation: PCB204

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

dibenzo(a,h)pyreen
type: ChemicalCompound
notation: DBahP
formula: C24H14
cas number: 189-64-0
cas number: 58615-36-4
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
broader: CHEMONTID_0000316
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
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 9108
type: ChemicalSubstance
inchikey: RXUSYFJGDZFVND-UHFFFAOYSA-N

quinoline
formula: C9H7N
iupac name: Quinoline @en
type: Concept
type: ChemicalCompound
notation: quinlne
cas number: 91-22-5
type: ChemicalSubstance
inchikey: SMWDFEZZVXVKRB-UHFFFAOYSA-N
smiles: C1=CC=C2C(=C1)C=CC=N2
pubchem: 7047
inchi: InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
broader: CHEMONTID_0001253
cas number: 20214-07-7
in scheme: Conceptschema Chemische Stoffen

2,5-dinitrotolueen
type: ChemicalSubstance
notation: 25DNO2Tol
in scheme: Conceptschema Chemische Stoffen
pubchem: 12075
smiles: CC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
iupac name: 2-Methyl-1,4-dinitrobenzene @en
cas number: 619-15-8
broader: CHEMONTID_0000036
type: ChemicalCompound
inchi: InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3
type: Concept
inchikey: KZBOXYKTSUUBTO-UHFFFAOYSA-N
formula: C7H6N2O4

celestolide
type: ChemicalSubstance
type: Concept
cas number: 88401-65-4
smiles: CC(=O)C1=C2CCC(C2=CC(=C1)C(C)(C)C)(C)C
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
broader: CHEMONTID_0000027
pubchem: 61585
formula: C17H24O
in scheme: Conceptschema Chemische Stoffen
notation: ADBI
type: ChemicalCompound
iupac name: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone @en
cas number: 13171-00-1
inchikey: IKTHMQYJOWTSJO-UHFFFAOYSA-N

isoforon diisocyanaat
broader: CHEMONTID_0000501
cas number: 4098-71-9
formula: C12H18N2O2
type: Concept
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
inchikey: NIMLQBUJDJZYEJ-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane @en
smiles: CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
pubchem: 169132
notation: ifrDiCN
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 53880-05-0

cloprostenol
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
in scheme: Conceptschema Chemische Stoffen
cas number: 40665-92-7
type: Concept
cas number: 55028-72-3
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
formula: C22H28ClNaO6
inchikey: IFEJLMHZNQJGQU-UDEWSXLWSA-M
notation: cloptnl
type: ChemicalSubstance
pubchem: 6436024
type: ChemicalCompound

n-ethylperfluor-n-octaansulfonamide
alternative label: n-ethyl perfluoroctaansulfonamide
inchikey: CCEKAJIANROZEO-UHFFFAOYSA-N
notation: EtFOSA
alternative label: n-ethylperfluor-n-octaansulfonamide (etpfosa)
alternative label: N-ethylperfluoroctaansulfonamide
broader: CHEMONTID_0003960
pubchem: 77797
cas number: 4151-50-2
alternative label: N-ethyl perfluoroctaansulfonamide
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
type: Concept
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
type: ChemicalSubstance
formula: C10H6F17NO2S
type: ChemicalCompound
alternative label: n-ethylperfluoroctaan-1-sulfonamide (etpfosa)
in scheme: Conceptschema Chemische Stoffen
notation: EtPFOSA

fenchloorfos
pubchem: 9298
cas number: 299-84-3
formula: C8H8Cl3O3PS
smiles: COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
notation: fenClfs
inchikey: JHJOOSLFWRRSGU-UHFFFAOYSA-N
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
iupac name: dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane @en
type: ChemicalSubstance
type: ChemicalCompound
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
type: Concept

dieldrin
notation: dieldn
cas number: 60-57-1
type: Concept
type: ChemicalSubstance
inchikey: DFBKLUNHFCTMDC-PICURKEMSA-N
pubchem: 969491
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
type: ChemicalCompound
broader: CHEMONTID_0001549
in scheme: Conceptschema Chemische Stoffen
cas number: 128-10-9
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-
formula: C12H8Cl6O

heptaanzuur methylester
broader: CHEMONTID_0003417
type: ChemicalSubstance
iupac name: METHYL HEPTANOATE @en
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
cas number: 106-73-0
pubchem: 7826
inchikey: XNCNNDVCAUWAIT-UHFFFAOYSA-N
smiles: CCCCCCC(=O)OC
formula: C8H16O2
inchi: InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
notation: C7azrC1yEsr

geëthoxyleerde isodecylalcohol
formula: C12H26O2
cas number: 82376-08-7
type: ChemicalCompound
inchikey: LHTCFGRXHNJRBP-UHFFFAOYSA-N
iupac name: 2-(8-methylnonoxy)ethanol @en
notation: geetxldiC10y
broader: CHEMONTID_0001167
type: Concept
inchi: InChI=1S/C12H26O2/c1-12(2)8-6-4-3-5-7-10-14-11-9-13/h12-13H,3-11H2,1-2H3
in scheme: Conceptschema Chemische Stoffen
cas number: 61827-42-7
type: ChemicalSubstance
pubchem: 94600
smiles: CC(C)CCCCCCCOCCO

aldosteron
inchikey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N
type: ChemicalCompound
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
type: Concept
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
pubchem: 5839
type: ChemicalSubstance
cas number: 52-39-1
broader: CHEMONTID_0003095
formula: C21H28O5
notation: aldtrn
cas number: 152-04-5
cas number: 10328-70-8
in scheme: Conceptschema Chemische Stoffen

fosfine
formula: H3P
cas number: 7803-51-2
cas number: 29879-37-6
type: ChemicalSubstance
smiles: P
pubchem: 24404
type: ChemicalCompound
notation: fosfne
iupac name: ['phosphane', '$l^{1}-phosphane'] @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000434
inchikey: XYFCBTPGUUZFHI-UHFFFAOYSA-N
inchi: InChI=1S/H3P/h1H3
cas number: 167076-44-0
comment: VLAREM II bijlage 4.4.2
alternative label: fosforwaterstof of fosfine of fosfaan?
comment: VLAR III (D3) 'fosforwaterstof'

methyl-2-methylbutyraat
smiles: CCC(C)C(=O)OC
type: ChemicalSubstance
inchi: InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
notation: C1y2C1ybtrt
type: Concept
broader: CHEMONTID_0000324
formula: C6H12O2
cas number: 868-57-5
in scheme: Conceptschema Chemische Stoffen
iupac name: METHYL 2-METHYLBUTANOATE @en
inchikey: OCWLYWIFNDCWRZ-UHFFFAOYSA-N
cas number: 53955-81-0
pubchem: 13357
type: ChemicalCompound

ijzer(iii)oxide
alternative label: ijzer(III)oxide
cas number: 12259-21-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 61560
smiles: O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]
formula: Fe2H2O4
type: ChemicalSubstance
inchi: InChI=1S/2Fe.H2O.3O/h;;1H2;;;/q2*+3;;3*-2
notation: FeIIIO
iupac name: iron(+3) cation; oxygen(-2) anion; hydrate @en
inchikey: QGPQTSCLUYMZHL-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 1309-37-1
broader: CHEMONTID_0001270
type: Concept

dibenzo(a,e)pyreen
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
broader: CHEMONTID_0000316
cas number: 192-65-4
pubchem: 9126
type: Concept
notation: DBaeP
in scheme: Conceptschema Chemische Stoffen
inchikey: KGHMWBNEMFNJFZ-UHFFFAOYSA-N
type: ChemicalSubstance
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
formula: C24H14
type: ChemicalCompound

chroom, driewaardig
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 27668
inchi: InChI=1S/Cr/q+3
type: Concept
broader: CHEMONTID_0000426
iupac name: chromium(+3) cation @en
alternative label: chroom (driewaardig)
notation: CrIII
type: ChemicalCompound
formula: Cr+3
inchikey: BFGKITSFLPAWGI-UHFFFAOYSA-N
cas number: 16065-83-1
smiles: [Cr+3]

thioureum
smiles: C(=N)(N)S
pubchem: 6118
notation: tourm
cas number: 62-56-6
iupac name: Thiourea @en
inchi: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: UMGDCJDMYOKAJW-UHFFFAOYSA-N
type: ChemicalSubstance
formula: CH4N2S
broader: CHEMONTID_0001209
type: Concept

methyldihydrojasmonaat
formula: C13H22O3
inchikey: KVWWIYGFBYDJQC-UHFFFAOYSA-N
type: ChemicalSubstance
notation: C1yDHjasmnt
type: ChemicalCompound
cas number: 80450-69-7
pubchem: 102861
cas number: 24851-98-7
cas number: 29852-02-6
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
cas number: 2630-39-9
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCC1C(CCC1=O)CC(=O)OC
broader: CHEMONTID_0000512
type: Concept
iupac name: methyl 2-(3-oxo-2-pentylcyclopentyl)acetate @en

fenamifos-sulfon
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
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)
type: ChemicalCompound
pubchem: 36028
iupac name: N-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-amine @en
type: ChemicalSubstance
type: Concept
notation: fenamfsfn
formula: C13H22NO5PS
cas number: 31972-44-8
inchikey: LVNYJXIBJFXIRZ-UHFFFAOYSA-N

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

methyleenbisthiocyanaat
broader: CHEMONTID_0002132
type: ChemicalCompound
type: Concept
notation: C1yebtoCN
pubchem: 22772
inchikey: JWZXKXIUSSIAMR-UHFFFAOYSA-N
smiles: C(SC#N)SC#N
formula: C3H2N2S2
type: ChemicalSubstance
iupac name: dithiocyanatomethane @en
cas number: 6317-18-6
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2

hydrazine
cas number: 75013-58-0
type: ChemicalCompound
cas number: 37836-27-4
cas number: 31886-26-7
cas number: 119775-10-9
broader: CHEMONTID_0000434
comment: VLAREM II bijlage 4.4.2
inchi: InChI=1S/H4N2/c1-2/h1-2H2
type: Concept
iupac name: Hydrazine @en
cas number: 634-62-8
formula: H4N2
cas number: 302-01-2
type: ChemicalSubstance
smiles: NN
notation: hydzne
inchikey: OAKJQQAXSVQMHS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 9321

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

yttrium 88
inchikey: VWQVUPCCIRVNHF-BJUDXGSMSA-N
smiles: [Y]
cas number: 13982-36-0
pubchem: 105173
formula: Y
type: ChemicalCompound
type: ChemicalSubstance
iupac name: yttrium-88 @en
notation: Y88
type: Concept
inchi: InChI=1S/Y/i1-1
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen

aluminium (driewaardig)
inchikey: REDXJYDRNCIFBQ-UHFFFAOYSA-N
pubchem: 104727
in scheme: Conceptschema Chemische Stoffen
notation: AlIII
iupac name: aluminum(+3) cation @en
cas number: 22537-23-1
formula: Al+3
type: ChemicalCompound
smiles: [Al+3]
broader: CHEMONTID_0000427
type: ChemicalSubstance
inchi: InChI=1S/Al/q+3
type: Concept

3-careen
cas number: 13466-78-9
cas number: 74806-04-5
formula: C10H16
cas number: 116783-27-8
pubchem: 26049
broader: CHEMONTID_0001564
smiles: CC1=CCC2C(C1)C2(C)C
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene @en
type: Concept
notation: 3carn
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
inchikey: BQOFWKZOCNGFEC-UHFFFAOYSA-N

cis-5,8,11,14,17-eicosapentaeenzuur
cas number: 25377-48-4
cas number: 10417-94-4
formula: C20H30O2
inchikey: JAZBEHYOTPTENJ-JLNKQSITSA-N
broader: CHEMONTID_0002949
pubchem: 446284
in scheme: Conceptschema Chemische Stoffen
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-
type: ChemicalSubstance
type: Concept
notation: cC20aPezr
type: ChemicalCompound
iupac name: (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid @en
smiles: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O

1,2,3,4,7,8,9-heptachloordibenzofuraan
comment: VLAR II+ bijlagen
inchikey: VEZCTZWLJYWARH-UHFFFAOYSA-N
alternative label: 1,2,3,4,7,8,9-heptachloordibenzofuran
cas number: 55673-89-7
alternative label: 1,2,3,4,7,8,9-heptachloordibenzofuraan (hpcdf)
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
notation: PCDF134
iupac name: 1,2,3,4,7,8,9-HEPTACHLORODIBENZOFURAN @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 41510
broader: CHEMONTID_0003029
type: ChemicalCompound
formula: C12HCl7O
is referenced by: LUC VI 002
type: ChemicalSubstance
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

1,1-dichloorpropaan
notation: 11DClC3a
broader: CHEMONTID_0001516
inchi: InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3
pubchem: 6573
type: Concept
smiles: CCC(Cl)Cl
iupac name: 1,1-DICHLOROPROPANE @en
type: ChemicalCompound
formula: C3H6Cl2
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 78-99-9
inchikey: WIHMGGWNMISDNJ-UHFFFAOYSA-N

hexadecyltrimethylammoniumchloride
cas number: 139272-33-6
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
in scheme: Conceptschema Chemische Stoffen
cas number: 79728-63-5
cas number: 68002-63-1
cas number: 112-02-7
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
pubchem: 8154
formula: C19H42ClN
type: ChemicalCompound
broader: CHEMONTID_0004225
type: ChemicalSubstance
notation: C16ylTC1ylNH
cas number: 53023-95-3
type: Concept
inchikey: WOWHHFRSBJGXCM-UHFFFAOYSA-M
iupac name: hexadecyl-trimethylazanium chloride @en
cas number: 146909-27-5

trichlooramine
notation: NTCl
formula: Cl3N
is referenced by: LUC VII 002
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000549
smiles: N(Cl)(Cl)Cl
inchi: InChI=1S/Cl3N/c1-4(2)3
pubchem: 61437
type: ChemicalSubstance
iupac name: trichloroamine @en
cas number: 10025-85-1
alternative label: stikstoftrichloride
inchikey: QEHKBHWEUPXBCW-UHFFFAOYSA-N

difenylsulfon
formula: C12H10O2S
type: ChemicalCompound
inchi: InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
broader: CHEMONTID_0004233
notation: Dfysfn
smiles: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
pubchem: 31386
iupac name: phenylsulfonylbenzene @en
cas number: 127-63-9
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: KZTYYGOKRVBIMI-UHFFFAOYSA-N

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

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

stikstofdioxide
inchi: InChI=1S/NO2/c2-1-3
alternative label: stikstofdioxide (NO2)
smiles: N(=O)[O]
cas number: 127999-62-6
type: Concept
cas number: 78246-05-6
cas number: 56003-83-9
broader: CHEMONTID_0000554
cas number: 119990-11-3
is referenced by: LUC II 001
formula: NO2
in scheme: Conceptschema Chemische Stoffen
inchikey: JCXJVPUVTGWSNB-UHFFFAOYSA-N
cas number: 50443-93-1
cas number: 66252-28-6
comment: VLAR II diverse art.
pubchem: 3032552
cas number: 10102-44-0
comment: VLAR II bijl. 4.4.2
comment: VLAR bijl. 2.5.3. 'NO2'
iupac name: Nitrogen dioxide @en
type: ChemicalSubstance
type: ChemicalCompound

fluorglycofen-ethyl
cas number: 77501-90-7
notation: fluogcfnC2y
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 53672
broader: CHEMONTID_0004155
inchikey: IPPAUTOBDWNELX-UHFFFAOYSA-N
formula: C18H13ClF3NO7
type: ChemicalSubstance
iupac name: (2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate @en

2,6-dimethylquinoline
in scheme: Conceptschema Chemische Stoffen
notation: 26DC1yqnlne
inchi: InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
formula: C11H11N
type: ChemicalSubstance
pubchem: 13414
iupac name: 2,6-Dimethylquinoline @en
smiles: CC1=CC2=C(C=C1)N=C(C=C2)C
type: Concept
inchikey: JJPSZKIOGBRMHK-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 877-43-0
broader: CHEMONTID_0001253

PCB-28
smiles: C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl
type: Concept
notation: PCB28
is referenced by: CMA 3 I
alternative label: pcb-28
is referenced by: LUC VI 002
inchikey: BZTYNSQSZHARAZ-UHFFFAOYSA-N
alternative label: pcb 28
pubchem: 23448
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
iupac name: 2,4-dichloro-1-(4-chlorophenyl)benzene @en
cas number: 7012-37-5
type: ChemicalCompound
alternative label: 2,4,4'-trichloorbifenyl
inchi: InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
alternative label: 2,4,4'-trichloorbifenyl (pcb28)
formula: C12H7Cl3
type: ChemicalSubstance

endothal
cas number: 129-67-9
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
formula: C8H8Na2O5
type: ChemicalCompound
smiles: C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
pubchem: 8519
broader: CHEMONTID_0000346
cas number: 145-73-3
in scheme: Conceptschema Chemische Stoffen
cas number: 11096-76-7
type: Concept
notation: endtl
inchikey: XRHVZWWRFMCBAZ-UHFFFAOYSA-L
iupac name: disodium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate @en
type: ChemicalSubstance

ethiolaat
smiles: CCN(CC)C(=O)SCC
notation: etolt
cas number: 2941-55-1
pubchem: 18055
broader: CHEMONTID_0001368
iupac name: S-ethyl diethylaminomethanethioate @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C7H15NOS
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
inchikey: WARIWGPBHKPYON-UHFFFAOYSA-N

difenyltin
type: ChemicalSubstance
pubchem: 70535
inchi: InChI=1S/2C6H5.Sn/c2*1-2-4-6-5-3-1;/h2*1-5H;
type: Concept
cas number: 1011-95-6
inchikey: KUCPUSUXIGWHFB-UHFFFAOYSA-N
cas number: 6381-06-2
broader: CHEMONTID_0002279
smiles: C1=CC=C(C=C1)[Sn]C2=CC=CC=C2
type: ChemicalCompound
formula: C12H10Sn
iupac name: di(phenyl)tin @en
in scheme: Conceptschema Chemische Stoffen

tetrabutylammoniumchloride
in scheme: Conceptschema Chemische Stoffen
cas number: 25147-59-5
type: Concept
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]
inchikey: NHGXDBSUJJNIRV-UHFFFAOYSA-M
type: ChemicalCompound
cas number: 1112-67-0
formula: C16H36ClN
type: ChemicalSubstance
notation: T4C4yNH4Cl
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
broader: CHEMONTID_0004225

vanadium 48
smiles: [V]
type: ChemicalSubstance
inchi: InChI=1S/V/i1-3
in scheme: Conceptschema Chemische Stoffen
formula: V
type: ChemicalCompound
notation: V48
cas number: 14331-97-6
iupac name: vanadium-48 @en
inchikey: LEONUFNNVUYDNQ-OIOBTWANSA-N
type: Concept
pubchem: 161054
broader: CHEMONTID_0000426

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

jopanoïnezuur
inchikey: OIRFJRBSRORBCM-UHFFFAOYSA-N
smiles: CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O
iupac name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid @en
cas number: 96-83-3
type: ChemicalCompound
pubchem: 3735
notation: jopninzr
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)
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C11H12I3NO2
broader: CHEMONTID_0002551
type: Concept

di-isooctylftalaat
inchikey: IJFPVINAQGWBRJ-UHFFFAOYSA-N
type: Concept
formula: C24H38O4
cas number: 41375-90-0
cas number: 25103-50-8
notation: DiC8yFt
in scheme: Conceptschema Chemische Stoffen
pubchem: 33934
cas number: 27554-26-3
cas number: 1330-91-2
cas number: 71097-28-4
iupac name: bis(6-methylheptyl) benzene-1,2-dicarboxylate @en
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
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001350

clobetasolpropionaat
inchikey: CBGUOGMQLZIXBE-XGQKBEPLSA-N
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
notation: clobtsppont
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
broader: CHEMONTID_0001468
type: ChemicalCompound
cas number: 25122-46-7
in scheme: Conceptschema Chemische Stoffen
pubchem: 32798
type: Concept
type: ChemicalSubstance

pentadecaanzuur
iupac name: Pentadecanoic acid @en
type: ChemicalCompound
pubchem: 13849
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCC(=O)O
formula: C15H30O2
notation: C15azr
cas number: 1002-84-2
broader: CHEMONTID_0002949
type: ChemicalSubstance
inchikey: WQEPLUUGTLDZJY-UHFFFAOYSA-N
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)
type: Concept

2-amino-5-methylbenzeensulfonzuur
type: ChemicalCompound
pubchem: 6934
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 88-44-8
broader: CHEMONTID_0000032
notation: 2Ao5C1yBensf
smiles: CC1=CC(=C(C=C1)N)S(=O)(=O)O
iupac name: 2-Amino-5-methylbenzenesulfonic acid @en
type: ChemicalSubstance
inchikey: LTPSRQRIPCVMKQ-UHFFFAOYSA-N
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)
formula: C7H9NO3S

promethazine
inchikey: PWWVAXIEGOYWEE-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 4927
type: Concept
cas number: 73745-50-3
cas number: 38878-40-9
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
broader: CHEMONTID_0000310
smiles: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C
notation: promtzne
iupac name: N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine @en
formula: C17H20N2S
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 60-87-7

jodium 126
pubchem: 161029
formula: HI
type: Concept
iupac name: Iodane-126 @en
inchikey: XMBWDFGMSWQBCA-BJUDXGSMSA-N
notation: I126
smiles: I
type: ChemicalSubstance
cas number: 14158-32-8
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000548
inchi: InChI=1S/HI/h1H/i1-1
type: ChemicalCompound

2,4-D natrium zout
iupac name: sodium 2-(2,4-dichlorophenoxy)-2-oxoethanolate @en
inchikey: SFYPSBLCFRKKDT-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002319
cas number: 67924-78-1
type: Concept
cas number: 58318-52-8
type: ChemicalSubstance
cas number: 37353-58-5
formula: C8H5Cl2NaO3
notation: 24DNazt
pubchem: 17611
alternative label: 2,4-d natrium zout
cas number: 2702-72-9
smiles: C1=CC(=C(C=C1Cl)Cl)OC(=O)C[O-].[Na+]
type: ChemicalCompound
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

3-chloor-4-nitrotolueen
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
broader: CHEMONTID_0000036
notation: 3Cl4NO2Tol
pubchem: 123478
iupac name: 2-chloro-4-methyl-1-nitrobenzene @en
type: ChemicalSubstance
smiles: CC1=CC(=C(C=C1)[N+](=O)[O-])Cl
formula: C7H6ClNO2
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: KGSQRFPDZCBVBS-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 38939-88-7

dihydromyrcenol
cas number: 18479-58-8
broader: CHEMONTID_0001670
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: DHmcnl
iupac name: 2,6-Dimethyloct-7-en-2-ol @en
type: ChemicalCompound
inchikey: XSNQECSCDATQEL-UHFFFAOYSA-N
cas number: 25279-08-7
smiles: CC(CCCC(C)(C)O)C=C
inchi: InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3
pubchem: 29096
type: ChemicalSubstance
formula: C10H20O

3-chloortolueen
broader: CHEMONTID_0001099
notation: 3ClTol
smiles: CC1=CC(=CC=C1)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-Chloro-3-methylbenzene @en
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
cas number: 108-41-8
formula: C7H7Cl
inchikey: OSOUNOBYRMOXQQ-UHFFFAOYSA-N
pubchem: 7931
type: Concept

3-methylpyridine
inchikey: ITQTTZVARXURQS-UHFFFAOYSA-N
type: Concept
formula: C6H7N
cas number: 61204-14-6
pubchem: 7970
inchi: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
smiles: CC1=CN=CC=C1
iupac name: 3-Methylpyridine @en
type: ChemicalCompound
cas number: 108-99-6
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 82005-08-1
broader: CHEMONTID_0004152
notation: 3C1yprdne

sulfamethoxypyridazine
type: ChemicalSubstance
smiles: COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
in scheme: Conceptschema Chemische Stoffen
pubchem: 5330
formula: C11H12N4O3S
broader: CHEMONTID_0001925
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)
cas number: 80-35-3
inchikey: VLYWMPOKSSWJAL-UHFFFAOYSA-N
type: Concept
iupac name: 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide @en
type: ChemicalCompound

propionzuur
cas number: 784139-72-6
inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-N
notation: propozr
broader: CHEMONTID_0001205
cas number: 3349-08-4
cas number: 68990-37-4
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 68937-68-8
formula: C3H6O2
cas number: 79-09-4
iupac name: Propanoic acid @en
type: Concept
comment: VLAREM II bijlage 4.4.2
smiles: CCC(=O)O
pubchem: 1032
inchi: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
type: ChemicalSubstance

miconazolnitraat
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)
pubchem: 68553
in scheme: Conceptschema Chemische Stoffen
cas number: 22832-87-7
inchikey: MCCACAIVAXEFAL-UHFFFAOYSA-N
type: ChemicalSubstance
notation: micnzNO3
iupac name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid @en
type: Concept
broader: CHEMONTID_0002542
type: ChemicalCompound
formula: C18H15Cl4N3O4
cas number: 75319-48-1

imazamethabenz-methyl
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)
in scheme: Conceptschema Chemische Stoffen
inchikey: FFCCBBNQPIMUJI-UHFFFAOYSA-N
notation: imzmtbzC1y
type: ChemicalCompound
type: ChemicalSubstance
cas number: 81405-85-8
cas number: 153703-73-2
pubchem: 54744
broader: CHEMONTID_0001350
type: Concept
formula: C16H20N2O3
iupac name: methyl 4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoate @en
cas number: 69969-22-8

dibutyltin
type: ChemicalCompound
smiles: CCCC[Sn]CCCC
type: ChemicalSubstance
broader: CHEMONTID_0001524
type: Concept
inchikey: AYOHIQLKSOJJQH-UHFFFAOYSA-N
cas number: 1002-53-5
in scheme: Conceptschema Chemische Stoffen
iupac name: dibutyltin @en
formula: C8H18Sn
pubchem: 6484
inchi: InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;

4-cyaan-1,2,3,4-tetrahydro-alfamethyl-1-naftaleenacetonitril
smiles: CC(C#N)C1CCC(C2=CC=CC=C12)C#N
type: ChemicalCompound
notation: 4CN1234T4HaC
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 154379
broader: CHEMONTID_0000048
formula: C14H14N2
inchikey: FDTQTOKRWQJRAC-UHFFFAOYSA-N
cas number: 57964-39-3
iupac name: 4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile @en
type: Concept
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

fenoterol
notation: fentrl
inchikey: SGZRQMALQBXAIQ-UHFFFAOYSA-N
broader: CHEMONTID_0000188
pubchem: 16037
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
type: ChemicalCompound
formula: C17H22BrNO4
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CC(CC1=CC=C(C=C1)O)[NH2+]CC(C2=CC(=CC(=C2)O)O)O.[Br-]
cas number: 13392-18-2
iupac name: [2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium bromide @en
type: Concept

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

fenchlorazool-ethyl
inchikey: GMBRUAIJEFRHFQ-UHFFFAOYSA-N
cas number: 103112-35-2
type: Concept
formula: C12H8Cl5N3O2
iupac name: ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate @en
pubchem: 3033865
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
broader: CHEMONTID_0003314
notation: fecrzlC2y

2-tert-butylfenol
type: Concept
broader: CHEMONTID_0002811
type: ChemicalSubstance
notation: 2ttC4yFol
in scheme: Conceptschema Chemische Stoffen
pubchem: 6923
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
formula: C10H14O
smiles: CC(C)(C)C1=CC=CC=C1O
type: ChemicalCompound
cas number: 27178-34-3
inchikey: WJQOZHYUIDYNHM-UHFFFAOYSA-N
cas number: 88-18-6

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

dimefuron
type: Concept
pubchem: 91612
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)
broader: CHEMONTID_0001099
inchikey: DHWRNDJOGMTCPB-UHFFFAOYSA-N
formula: C15H19ClN4O3
type: ChemicalCompound
notation: Dmfrn
type: ChemicalSubstance
iupac name: 3-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-3-chlorophenyl]-1,1-dimethylurea @en
cas number: 34205-21-5
in scheme: Conceptschema Chemische Stoffen

octylacetaat
pubchem: 8164
smiles: CCCCCCCCOC(=O)C
type: ChemicalSubstance
type: ChemicalCompound
cas number: 112-14-1
inchi: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
type: Concept
broader: CHEMONTID_0001722
formula: C10H20O2
notation: C8yactt
in scheme: Conceptschema Chemische Stoffen
inchikey: YLYBTZIQSIBWLI-UHFFFAOYSA-N
iupac name: Octyl acetate @en

8alpha-estradiol
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
cas number: 517-04-4
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
type: ChemicalSubstance
notation: 8aestDol
formula: C18H24O2
broader: CHEMONTID_0003570
pubchem: 10596
inchikey: VOXZDWNPVJITMN-ZZEXBNFBSA-N
type: ChemicalCompound
iupac name: (8S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol @en

tolueen
formula: C7H8
in scheme: Conceptschema Chemische Stoffen
inchikey: YXFVVABEGXRONW-UHFFFAOYSA-N
pubchem: 1140
iupac name: methylbenzene @en
is referenced by: LUC IV 011
type: ChemicalCompound
inchi: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
cas number: 108-88-3
cas number: 50643-04-4
broader: CHEMONTID_0001091
is referenced by: LUC IV 000
type: ChemicalSubstance
cas number: 3101-08-4
comment: VLAR II bijl. 4.4.2
type: Concept
is referenced by: LUC IV 001
smiles: CC1=CC=CC=C1
notation: Tol
is referenced by: CMA 2 III A

tripropyleenglycol
broader: CHEMONTID_0001092
pubchem: 22833317
iupac name: 1-[1-(1-hydroxypropoxy)propan-2-yloxy]propan-1-ol @en
cas number: 24800-44-0
smiles: CCC(O)OCC(C)OC(CC)O
type: ChemicalSubstance
inchikey: SNAJJYBUNRAGEF-UHFFFAOYSA-N
notation: TC3yegcl
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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
type: Concept

1,3,5-trimethylcyclohexaan
type: Concept
inchi: InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3
smiles: CC1CC(CC(C1)C)C
in scheme: Conceptschema Chemische Stoffen
inchikey: ODNRTOSCFYDTKF-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance
notation: 135TC1yccC6a
formula: C9H18
broader: CHEMONTID_0001016
cas number: 1795-27-3
cas number: 1839-63-0
iupac name: 1,3,5-Trimethylcyclohexane @en
pubchem: 35364
cas number: 1795-26-2

difenoxuron
notation: Dfnxrn
inchikey: AMVYOVYGIJXTQB-UHFFFAOYSA-N
broader: CHEMONTID_0004155
type: ChemicalCompound
iupac name: 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea @en
type: ChemicalSubstance
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)
type: Concept
cas number: 14214-32-5
in scheme: Conceptschema Chemische Stoffen
pubchem: 26576

3-chloorpropeen
iupac name: 3-chloroprop-1-ene @en
smiles: C=CCCl
notation: 3ClC3e
inchikey: OSDWBNJEKMUWAV-UHFFFAOYSA-N
cas number: 107-05-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001516
inchi: InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2
type: ChemicalCompound
formula: C3H5Cl
pubchem: 7850
type: Concept
type: ChemicalSubstance

beta-sitosterol
in scheme: Conceptschema Chemische Stoffen
cas number: 83-46-5
notation: bsitsrl
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
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0002031
formula: C29H50O
inchikey: KZJWDPNRJALLNS-VJSFXXLFSA-N
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

2-chloor-6-nitroaniline
pubchem: 69855
smiles: C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-]
formula: C6H5ClN2O2
type: ChemicalCompound
broader: CHEMONTID_0000036
inchikey: VOTXWUCYIOPNNR-UHFFFAOYSA-N
notation: 2Cl6NO2An
type: ChemicalSubstance
inchi: InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2
type: Concept
iupac name: 2-Chloro-6-nitroaniline @en
in scheme: Conceptschema Chemische Stoffen
cas number: 769-11-9

ethofumesaat
inchikey: IRCMYGHHKLLGHV-UHFFFAOYSA-N
notation: etfmst
cas number: 26225-79-6
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
alternative label: ethofumesate
in scheme: Conceptschema Chemische Stoffen
formula: C13H18O5S
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 33360
broader: CHEMONTID_0004189

lanthaan 140
inchi: InChI=1S/La/i1+1
broader: CHEMONTID_0000429
type: ChemicalSubstance
pubchem: 104882
inchikey: FZLIPJUXYLNCLC-OUBTZVSYSA-N
formula: La
type: Concept
cas number: 13981-28-7
smiles: [La]
type: ChemicalCompound
notation: La140
in scheme: Conceptschema Chemische Stoffen
iupac name: lanthanum-140 @en

flusilazool
notation: fluslzl
in scheme: Conceptschema Chemische Stoffen
pubchem: 73675
iupac name: bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane @en
cas number: 96827-34-8
type: ChemicalCompound
type: ChemicalSubstance
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
inchikey: FQKUGOMFVDPBIZ-UHFFFAOYSA-N
formula: C16H15F2N3Si
cas number: 85509-19-9
type: Concept
broader: CHEMONTID_0001100

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

azoxystrobin
broader: CHEMONTID_0004203
pubchem: 3034285
cas number: 215934-32-0
formula: C22H17N3O5
cas number: 131860-33-8
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+
type: Concept
type: ChemicalSubstance
iupac name: methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate @en
type: ChemicalCompound
notation: azoxsbn
in scheme: Conceptschema Chemische Stoffen
inchikey: WFDXOXNFNRHQEC-GHRIWEEISA-N

aminocarb
formula: C11H16N2O2
inchikey: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
iupac name: (4-dimethylamino-3-methylphenyl) N-methylcarbamate @en
cas number: 2032-59-9
pubchem: 16247
broader: CHEMONTID_0004742
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)
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
smiles: CC1=C(C=CC(=C1)OC(=O)NC)N(C)C
type: Concept
notation: Aocb

beta-hexachloorcyclohexaan
broader: CHEMONTID_0004485
formula: C6H6Cl6
type: Concept
alternative label: β-hexachlorocyclohexaan
type: ChemicalCompound
alternative label: β-lindaan
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-
cas number: 319-85-7
notation: bHCH
iupac name: (1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane @en
in scheme: Conceptschema Chemische Stoffen
inchikey: JLYXXMFPNIAWKQ-CDRYSYESSA-N
type: ChemicalSubstance

1-methylnaftaleen
type: ChemicalCompound
inchikey: QPUYECUOLPXSFR-UHFFFAOYSA-N
notation: 1C1yNaf
type: Concept
iupac name: 1-Methylnaphthalene @en
broader: CHEMONTID_0000023
cas number: 90-12-0
smiles: CC1=CC=CC2=CC=CC=C12
cas number: 1321-94-4
in scheme: Conceptschema Chemische Stoffen
formula: C11H10
notation: C1yNaf
cas number: 78900-94-4
inchi: InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
alternative label: methylnaftaleen
type: ChemicalSubstance
pubchem: 7002

norethisteron
type: ChemicalCompound
pubchem: 6230
inchikey: VIKNJXKGJWUCNN-XGXHKTLJSA-N
type: ChemicalSubstance
smiles: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
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
in scheme: Conceptschema Chemische Stoffen
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
formula: C20H26O2
type: Concept
broader: CHEMONTID_0003570
cas number: 68-22-4
notation: noretsrn

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

dodecylisoquinolinium
type: ChemicalCompound
inchikey: MSJLMQTXVKCUCD-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]
formula: C21H32BrN
pubchem: 7132
type: ChemicalSubstance
iupac name: 2-dodecylisoquinolin-2-ium bromide @en
broader: CHEMONTID_0002566
cas number: 93-23-2

fexofenadine
pubchem: 3348
formula: C32H39NO4
type: ChemicalSubstance
notation: fexfndne
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
inchikey: RWTNPBWLLIMQHL-UHFFFAOYSA-N
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)
cas number: 83799-24-0
iupac name: 2-[4-[1-hydroxy-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid @en
cas number: 159389-12-5
type: Concept
type: ChemicalCompound
cas number: 76815-58-2

propionaat
inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-M
broader: CHEMONTID_0001205
cas number: 72-03-7
type: Concept
type: ChemicalSubstance
smiles: CCC(=O)[O-]
type: ChemicalCompound
notation: propont
formula: C3H5O2-
pubchem: 104745
iupac name: propanoate @en
inchi: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
in scheme: Conceptschema Chemische Stoffen

2,4,4-trimethylpentaan-1,3-diylbis (2-methylpropanoaat)
pubchem: 93439
smiles: CC(C)C(=O)OCC(C)C(C(C)(C)C)OC(=O)C(C)C
cas number: 74381-40-1
formula: C16H30O4
inchikey: PXNPSORLYYNBLA-UHFFFAOYSA-N
broader: CHEMONTID_0000346
type: ChemicalCompound
iupac name: [2,4,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate @en
notation: 244TC1yC5a13
type: ChemicalSubstance
type: Concept
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
in scheme: Conceptschema Chemische Stoffen

1-tert-butoxy-2-ethoxyethaan
inchikey: NUNQKTCKURIZQX-UHFFFAOYSA-N
notation: 1tC4ox2C2oxC
iupac name: 2-(2-Ethoxyethoxy)-2-methylpropane @en
pubchem: 40007
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCOCCOC(C)(C)C
broader: CHEMONTID_0001167
inchi: InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3
cas number: 51422-54-9
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C8H18O2

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

norcocaine
notation: norccine
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
inchikey: RIPPXFWUYXTRNJ-BHARVXRSSA-N
smiles: COC(=O)C1C2CCC(N2)CC1OC(=O)C3=CC=CC=C3.Cl
broader: CHEMONTID_0001350
cas number: 61585-22-6
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 3046136
type: ChemicalCompound
formula: C16H20ClNO4
cas number: 18717-72-1

3,4-methyleendioxymethamfetamine
formula: C11H15NO2
pubchem: 1615
notation: 34C1yeDoxmaf
type: ChemicalCompound
inchikey: SHXWCVYOXRDMCX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: CC(CC1=CC2=C(C=C1)OCO2)NC
cas number: 69610-10-2
cas number: 42542-10-9
iupac name: 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine @en
cas number: 54946-52-0
type: ChemicalSubstance
broader: CHEMONTID_0000296
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

thiofanox-sulfoxide
type: ChemicalCompound
pubchem: 5491759
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+
broader: CHEMONTID_0004752
smiles: CC(C)(C)C(=NOC(=O)NC)CS(=O)C
formula: C9H18N2O3S
type: ChemicalSubstance
type: Concept
notation: tofnSO
inchikey: NLMRMVVMKCKWFL-YRNVUSSQSA-N
cas number: 39184-27-5
in scheme: Conceptschema Chemische Stoffen
iupac name: [(Z)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate @en

benzoylprop-ethyl
type: ChemicalCompound
cas number: 33878-50-1
formula: C18H17Cl2NO3
inchikey: SLCGUGMPSUYJAY-UHFFFAOYSA-N
broader: CHEMONTID_0004713
cas number: 22212-55-1
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
type: Concept
cas number: 38561-59-0
iupac name: ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate @en
cas number: 20453-96-7
notation: benzyppC2y
in scheme: Conceptschema Chemische Stoffen
pubchem: 31068
type: ChemicalSubstance

erbium
notation: Er
type: ChemicalSubstance
pubchem: 23980
type: Concept
smiles: [Er]
inchi: InChI=1S/Er
broader: CHEMONTID_0000429
inchikey: UYAHIZSMUZPPFV-UHFFFAOYSA-N
cas number: 7440-52-0
cas number: 110424-79-8
formula: Er
iupac name: ERBIUM @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

3,3'-dimethylbifenyl
inchi: InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3
notation: 33DC1ybiFy
inchikey: GVEDOIATHPCYGS-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000041
type: ChemicalSubstance
cas number: 612-75-9
smiles: CC1=CC(=CC=C1)C2=CC=CC(=C2)C
type: Concept
iupac name: 1-methyl-3-(3-methylphenyl)benzene @en
formula: C14H14
pubchem: 11931

cyanazine
iupac name: 2-[(4-chloro-6-ethylamino-1,3,5-triazin-2-yl)amino]-2-methylpropanenitrile @en
cas number: 21725-46-2
formula: C9H13ClN6
broader: CHEMONTID_0001693
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)
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 11096-88-1
notation: CNazne
inchikey: MZZBPDKVEFVLFF-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 30773
smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C#N
type: Concept
cas number: 12679-53-7

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

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

2,3-dimethylpyridine
notation: 23DC1yprdne
inchi: InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3
cas number: 27175-64-0
broader: CHEMONTID_0004152
inchikey: HPYNZHMRTTWQTB-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 583-61-9
pubchem: 11420
formula: C7H9N
type: Concept
iupac name: 2,3-Dimethylpyridine @en
smiles: CC1=C(N=CC=C1)C
type: ChemicalSubstance

azobenzeen
cas number: 1080-16-6
type: ChemicalCompound
cas number: 103-33-3
formula: C12H10N2
in scheme: Conceptschema Chemische Stoffen
pubchem: 2272
type: ChemicalSubstance
broader: CHEMONTID_0003370
inchikey: DMLAVOWQYNRWNQ-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)N=NC2=CC=CC=C2
inchi: InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
cas number: 17082-12-1
type: Concept
iupac name: di(phenyl)diazene @en
notation: azBen

beta-copaene
type: Concept
formula: C15H24
iupac name: (1R,2S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane @en
inchikey: UPVZPMJSRSWJHQ-HTXSYXIBSA-N
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
pubchem: 87529
smiles: CC(C)C1CCC2(C3C1C2C(=C)CC3)C
cas number: 18252-44-3
type: ChemicalSubstance
notation: bcpene
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001550

2-methoxypropylacetaat
broader: CHEMONTID_0001238
cas number: 70657-70-4
iupac name: 2-Methoxypropyl acetate @en
type: ChemicalCompound
notation: 2C1oxC3yactt
pubchem: 51132
smiles: CC(COC(=O)C)OC
type: ChemicalSubstance
formula: C6H12O3
type: Concept
inchi: InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3
in scheme: Conceptschema Chemische Stoffen
inchikey: BTZVKSVLFLRBRE-UHFFFAOYSA-N

4-octyl-N-(4-octylfenyl)-benzeenamine
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
broader: CHEMONTID_0000284
inchikey: QAPVYZRWKDXNDK-UHFFFAOYSA-N
iupac name: 4-Octyl-N-(4-octylphenyl)aniline @en
formula: C28H43N
cas number: 1336-54-5
in scheme: Conceptschema Chemische Stoffen
pubchem: 7569
cas number: 101-67-7
notation: 4C8yN4C8yFyB
type: Concept
type: ChemicalCompound
alternative label: 4-octyl-n-(4-octylfenyl)-benzeenamine
cas number: 26603-23-6
type: ChemicalSubstance

octaanzuur
inchikey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
cas number: 68937-74-6
cas number: 18312-04-4
cas number: 124-07-2
type: ChemicalSubstance
formula: C8H16O2
in scheme: Conceptschema Chemische Stoffen
pubchem: 379
notation: C8azr
type: Concept
inchi: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
broader: CHEMONTID_0003086
smiles: CCCCCCCC(=O)O
iupac name: octanoic acid @en
type: ChemicalCompound

3,4,5-trichlooraniline
smiles: C1=C(C=C(C(=C1Cl)Cl)Cl)N
inchikey: XOGYQVITULCUGU-UHFFFAOYSA-N
notation: 345TClAn
broader: CHEMONTID_0000284
formula: C6H4Cl3N
in scheme: Conceptschema Chemische Stoffen
pubchem: 12469
type: ChemicalSubstance
cas number: 634-91-3
type: ChemicalCompound
iupac name: 3,4,5-TRICHLOROANILINE @en
inchi: InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
type: Concept

methylhexylaat
pubchem: 7824
inchi: InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
iupac name: Methyl hexanoate @en
notation: C1yC6yat
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003417
in scheme: Conceptschema Chemische Stoffen
inchikey: NUKZAGXMHTUAFE-UHFFFAOYSA-N
smiles: CCCCCC(=O)OC
type: Concept
formula: C7H14O2
cas number: 106-70-7

jodosulfuron-methyl-natrium
inchikey: XFWOTCACTPMVSB-UHFFFAOYSA-M
cas number: 144550-36-7
type: Concept
formula: C14H13IN5NaO6S
notation: IsfrnC1yNa
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
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
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

tris-(2-chloorisopropyl)-fosfaat
inchikey: KVMPUXDNESXNOH-UHFFFAOYSA-N
notation: TClC3yPO4
type: ChemicalSubstance
formula: C9H18Cl3O4P
pubchem: 26176
broader: CHEMONTID_0003460
cas number: 215035-31-7
iupac name: tris(1-chloropropan-2-yl) phosphate @en
cas number: 13674-84-5
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
type: Concept
type: ChemicalCompound
cas number: 76025-08-6
cas number: 16839-32-0
in scheme: Conceptschema Chemische Stoffen
smiles: CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
alternative label: tris(1-chloor-2-propyl)fosfaat

2-chloor-4-nitrotolueen
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
broader: CHEMONTID_0000036
notation: 2Cl4NO2Tol
type: ChemicalCompound
cas number: 121-86-8
inchikey: LLYXJBROWQDVMI-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C7H6ClNO2
iupac name: 2-Chloro-1-methyl-4-nitrobenzene @en
pubchem: 8491
inchi: InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
type: Concept

1-hydroxy-2,4,4-trimethyl-3-pentanyl 2-methylpropanoaat
formula: C12H24O3
smiles: CC(C)C(=O)OC(C(C)CO)C(C)(C)C
type: ChemicalSubstance
type: ChemicalCompound
cas number: 74367-33-2
pubchem: 156477
broader: CHEMONTID_0001238
type: Concept
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
notation: 1HOx244TC1y3
in scheme: Conceptschema Chemische Stoffen
inchikey: YXISVHDWGVMPGJ-UHFFFAOYSA-N
iupac name: (1-hydroxy-2,4,4-trimethylpentan-3-yl) 2-methylpropanoate @en

nonylfenolhexaethoxylaat
type: ChemicalSubstance
formula: C27H48O7
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCO
pubchem: 168665
type: Concept
notation: NPEO6
cas number: 27177-01-1
inchikey: TWIMUEGVLWNOMO-UHFFFAOYSA-N
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
type: ChemicalCompound
broader: CHEMONTID_0003338
in scheme: Conceptschema Chemische Stoffen

2,2',3,4,5,5',6-heptachloorbifenyl
iupac name: 1,2,3,4,5-pentachloro-6-(2,5-dichlorophenyl)benzene @en
formula: C12H3Cl7
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
cas number: 52712-05-7
type: Concept
pubchem: 40500
type: ChemicalSubstance
type: ChemicalCompound
inchikey: PYZHTHZEHQHHEN-UHFFFAOYSA-N
notation: PCB185
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

amobarbital
notation: ambbtl
type: ChemicalCompound
type: Concept
iupac name: 5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione @en
smiles: CCC1(C(=O)NC(=O)NC1=O)CCC(C)C
in scheme: Conceptschema Chemische Stoffen
cas number: 57-43-2
broader: CHEMONTID_0000291
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)
pubchem: 2164
inchikey: VIROVYVQCGLCII-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C11H18N2O3

p-anisidine
notation: pansdne
pubchem: 7732
broader: CHEMONTID_0004670
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
smiles: COC1=CC=C(C=C1)N
iupac name: 4-Methoxyaniline @en
type: ChemicalSubstance
cas number: 104-94-9
formula: C7H9NO
type: Concept
inchikey: BHAAPTBBJKJZER-UHFFFAOYSA-N

heptaan
type: ChemicalSubstance
iupac name: HEPTANE @en
notation: C7a
broader: CHEMONTID_0002500
is referenced by: LUC IV 011
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
type: ChemicalCompound
inchi: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
cas number: 8031-33-2
cas number: 142-82-5
pubchem: 8900
formula: C7H16
is referenced by: LUC IV 000
type: Concept
is referenced by: LUC IV 006
smiles: CCCCCCC
inchikey: IMNFDUFMRHMDMM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
alternative label: n-heptaan
cas number: 44607-13-8
is referenced by: WAC IV A 016

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

dimetridazol
type: Concept
inchikey: IBXPYPUJPLLOIN-UHFFFAOYSA-N
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 1,2-Dimethyl-5-nitroimidazole @en
notation: DmTdzl
pubchem: 3090
broader: CHEMONTID_0000242
smiles: CC1=NC=C(N1C)[N+](=O)[O-]
type: ChemicalSubstance

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

pirimisulfuron-methyl
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 86209-51-0
notation: pirmsfrnC1y
inchikey: ZTYVMAQSHCZXLF-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 179765-69-6
formula: C15H12F4N4O7S
pubchem: 101525
type: Concept
broader: CHEMONTID_0004705
iupac name: methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate @en

4-chloor-2-methylaniline
cas number: 95-69-2
cas number: 87999-30-2
smiles: CC1=C(C=CC(=C1)Cl)N
inchikey: CXNVOWPRHWWCQR-UHFFFAOYSA-N
broader: CHEMONTID_0003964
type: Concept
notation: 4Cl2C1yAn
alternative label: 4-chloor-2-methylaniline (p-chloor-o-toluidine)
pubchem: 7251
iupac name: 4-Chloro-2-methylaniline @en
type: ChemicalSubstance
type: ChemicalCompound
formula: C7H8ClN
inchi: InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
in scheme: Conceptschema Chemische Stoffen

2,2',3,4,5,5'-hexachloorbifenyl
type: Concept
inchikey: UCLKLGIYGBLTSM-UHFFFAOYSA-N
cas number: 52112-04-6
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
pubchem: 40234
broader: CHEMONTID_0003030
type: ChemicalSubstance
notation: PCB141
cas number: 52712-04-6
in scheme: Conceptschema Chemische Stoffen
formula: C12H4Cl6
type: ChemicalCompound
iupac name: 1,2,3,4-tetrachloro-5-(2,5-dichlorophenyl)benzene @en

chlooramfenicol
in scheme: Conceptschema Chemische Stoffen
cas number: 56-75-7
pubchem: 298
formula: C11H12Cl2N2O5
broader: CHEMONTID_0000036
type: ChemicalCompound
smiles: C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
cas number: 579-51-1
type: Concept
type: ChemicalSubstance
inchikey: WIIZWVCIJKGZOK-UHFFFAOYSA-N
iupac name: 2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide @en
notation: Clafncl

gallium
inchi: InChI=1S/Ga
formula: Ga
type: ChemicalSubstance
iupac name: GALLIUM @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 5360835
type: ChemicalCompound
cas number: 7440-55-3
broader: CHEMONTID_0000427
inchikey: GYHNNYVSQQEPJS-UHFFFAOYSA-N
smiles: [Ga]
cas number: 15091-79-9
notation: Ga
type: Concept

8:2 fluortelomeer onverzadigd carboxylzuur
type: ChemicalSubstance
inchikey: WHZXTVOEGZRRJM-UHFFFAOYSA-N
formula: C10H2F16O2
type: ChemicalCompound
broader: CHEMONTID_0003086
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)
notation: 8:2 FTUCA
pubchem: 71404795
iupac name: 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-enoic acid @en
type: Concept
cas number: 70887-84-2
in scheme: Conceptschema Chemische Stoffen

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

dichloordifluormethaan
alternative label: dichloordifluormethaan (cfk12)
type: Concept
cas number: 185009-39-6
cas number: 75-71-8
broader: CHEMONTID_0004521
smiles: C(F)(F)(Cl)Cl
inchi: InChI=1S/CCl2F2/c2-1(3,4)5
pubchem: 6391
iupac name: dichloro-difluoromethane @en
in scheme: Conceptschema Chemische Stoffen
formula: CCl2F2
type: ChemicalSubstance
inchikey: PXBRQCKWGAHEHS-UHFFFAOYSA-N
comment: VLAREM II bijlage 4.4.2
type: ChemicalCompound
cas number: 62185-71-1
notation: CFK12

fosthiazaat
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
broader: CHEMONTID_0000226
in scheme: Conceptschema Chemische Stoffen
pubchem: 91758
inchikey: DUFVKSUJRWYZQP-UHFFFAOYSA-N
cas number: 98886-44-3
type: ChemicalCompound
type: ChemicalSubstance
smiles: CCC(C)SP(=O)(N1CCSC1=O)OCC
notation: fostazt
type: Concept
iupac name: 3-(butan-2-ylsulfanyl-ethoxyphosphoryl)-1,3-thiazolidin-2-one @en

9-octadecenal
formula: C18H34O
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: CCCCCCCCC=CCCCCCCCC=O
notation: 9C18eal
pubchem: 5283381
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+
type: ChemicalSubstance
type: ChemicalCompound
cas number: 5090-41-5
iupac name: (E)-octadec-9-enal @en
inchikey: ZENZJGDPWWLORF-MDZDMXLPSA-N
broader: CHEMONTID_0000298

sertraline
inchikey: VGKDLMBJGBXTGI-SJCJKPOMSA-N
formula: C17H17Cl2N
pubchem: 68617
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 79617-96-2
broader: CHEMONTID_0000049
type: ChemicalSubstance
notation: sertlne
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
type: ChemicalCompound

2,4-dichloorbifenyl (pcb 7)
broader: CHEMONTID_0003030
type: ChemicalCompound
formula: C12H8Cl2
smiles: C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)Cl
pubchem: 36399
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 33284-50-3
iupac name: 2,4-dichloro-1-phenylbenzene @en
inchikey: WEJZHZJJXPXXMU-UHFFFAOYSA-N
inchi: InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
type: ChemicalSubstance

1-aminonaftaleen
smiles: C1=CC=C2C(=C1)C=CC=C2N
cas number: 25168-10-9
in scheme: Conceptschema Chemische Stoffen
inchikey: RUFPHBVGCFYCNW-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
type: ChemicalSubstance
cas number: 12262-09-8
pubchem: 8640
type: ChemicalCompound
formula: C10H9N
iupac name: naphthalen-1-amine @en
notation: 1AoNaf
broader: CHEMONTID_0000023
cas number: 134-32-7

1-nitronaftaleen
inchi: InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
inchikey: RJKGJBPXVHTNJL-UHFFFAOYSA-N
pubchem: 6849
notation: 1NO2Naf
smiles: C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-]
type: ChemicalSubstance
broader: CHEMONTID_0002275
formula: C10H7NO2
cas number: 86-57-7
cas number: 27254-36-0
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: ['1-Nitronaphthalene', 'N,N-dihydroxynaphthalen-1-amine'] @en

diglycidyl resorcinol ether (dgre)
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
pubchem: 7586
smiles: C1C(O1)COC2=CC(=CC=C2)OCC3CO3
type: ChemicalCompound
inchikey: WPYCRFCQABTEKC-UHFFFAOYSA-N
type: Concept
broader: CHEMONTID_0002341
alternative label: diglycidyl resorcinol ether (DGRE)
type: ChemicalSubstance
cas number: 168331-52-0
formula: C12H14O4
cas number: 101-90-6
in scheme: Conceptschema Chemische Stoffen
notation: DGRE
iupac name: 2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane @en

1-azido-2-methylbenzeen
type: ChemicalSubstance
type: ChemicalCompound
inchikey: ZKGVLNVASIPVAU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC=CC=C1N=[N+]=[N-]
notation: 1azd2C1yben
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
type: Concept
broader: CHEMONTID_0000399
cas number: 31656-92-5
pubchem: 141652
formula: C7H7N3

dibutyl-3-hydroxybutylfosfaat
inchikey: LJBNHONKIDIOPD-UHFFFAOYSA-N
type: Concept
pubchem: 187696
cas number: 89197-69-3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: dibutyl 3-hydroxybutyl phosphate @en
notation: DC4y3OHC4yPO
type: ChemicalSubstance
smiles: CCCCOP(=O)(OCCCC)OCCC(C)O
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
formula: C12H27O5P
broader: CHEMONTID_0003460

aldrin
in scheme: Conceptschema Chemische Stoffen
inchikey: QBYJBZPUGVGKQQ-UHFFFAOYSA-N
notation: aldn
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
cas number: 309-00-2
type: ChemicalSubstance
broader: CHEMONTID_0002863
iupac name: 1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene @en
type: Concept
formula: C12H8Cl6
pubchem: 2087
type: ChemicalCompound
is referenced by: WAC IV B 010

bis(2-ethylhexyl)ftalaat (dehp)
broader: CHEMONTID_0001350
iupac name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate @en
notation: DEHP
cas number: 117-81-7
type: ChemicalCompound
alternative label: bis-(2-ethylhexyl)-ftalaat
cas number: 82208-43-3
cas number: 275818-89-8
cas number: 15495-94-0
formula: C24H38O4
alternative label: bis(2-ethylhexyl)ftalaat (DEHP)
in scheme: Conceptschema Chemische Stoffen
cas number: 126639-29-0
inchikey: BJQHLKABXJIVAM-UHFFFAOYSA-N
cas number: 50885-87-5
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
cas number: 137718-37-7
alternative label: di(2-ethylhexyl)-ftalaat (dehp)
pubchem: 8343
cas number: 205180-59-2
cas number: 40120-69-2
type: ChemicalSubstance
type: Concept
cas number: 8033-53-2

1,2,4,5-tetramethylbenzeen
pubchem: 7269
type: Concept
broader: CHEMONTID_0002279
iupac name: 1,2,4,5-Tetramethylbenzene @en
smiles: CC1=CC(=C(C=C1C)C)C
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: SQNZJJAZBFDUTD-UHFFFAOYSA-N
notation: 1245T4C1yBen
inchi: InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
formula: C10H14
type: ChemicalSubstance
cas number: 95-93-2

quizalofop-p-ethyl
inchikey: OSUHJPCHFDQAIT-GFCCVEGCSA-N
iupac name: ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate @en
type: ChemicalSubstance
formula: C19H17ClN2O4
cas number: 100646-51-3
alternative label: quizalofop-P-ethyl
pubchem: 1617113
broader: CHEMONTID_0004677
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: quizlfPC2y
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
type: ChemicalCompound

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

dikegulac-natrium
cas number: 52508-35-7
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
cas number: 55600-00-5
cas number: 55819-26-6
type: ChemicalSubstance
smiles: CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)[O-])C.[Na+]
pubchem: 65419
cas number: 62938-94-7
formula: C12H17NaO7
notation: dikglNa
in scheme: Conceptschema Chemische Stoffen
inchikey: DEWVPZYHFVYXMZ-QCILGFJPSA-M
type: Concept
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
broader: CHEMONTID_0004472
type: ChemicalCompound

pymetrozine
notation: pymtzne
smiles: CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2
iupac name: 6-methyl-4-(pyridin-3-ylmethylideneamino)-2,5-dihydro-1,2,4-triazin-3-one @en
cas number: 123312-89-0
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+
formula: C10H11N5O
pubchem: 9576037
type: ChemicalCompound
broader: CHEMONTID_0004107
inchikey: QHMTXANCGGJZRX-WUXMJOGZSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

omethoaat
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
notation: omtat
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CNC(=O)CSP(=O)(OC)OC
type: ChemicalSubstance
type: Concept
cas number: 1113-02-6
pubchem: 14210
broader: CHEMONTID_0001663
inchikey: PZXOQEXFMJCDPG-UHFFFAOYSA-N

2,3-dichloornitrobenzeen
formula: C6H3Cl2NO2
pubchem: 18555
in scheme: Conceptschema Chemische Stoffen
cas number: 3209-22-1
iupac name: 1,2-Dichloro-3-nitrobenzene @en
smiles: C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]
broader: CHEMONTID_0000036
cas number: 27900-75-0
type: ChemicalSubstance
inchikey: CMVQZRLQEOAYSW-UHFFFAOYSA-N
type: ChemicalCompound
inchi: InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
notation: 23DClNO2Ben
type: Concept

flubenzimine
inchikey: IZFZCMFMJKDHJZ-UHFFFAOYSA-N
iupac name: N2,3-di(phenyl)-N4,N5-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine @en
cas number: 37893-02-0
formula: C17H10F6N4S
notation: flubzmne
type: Concept
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279
type: ChemicalSubstance
pubchem: 91625

1,3,5-trichloorbenzeen
pubchem: 7950
type: ChemicalCompound
broader: CHEMONTID_0001099
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 108-70-3
formula: C6H3Cl3
iupac name: 1,3,5-Trichlorobenzene @en
smiles: C1=C(C=C(C=C1Cl)Cl)Cl
cas number: 63697-19-8
inchi: InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
notation: 135TClBen
type: Concept
inchikey: XKEFYDZQGKAQCN-UHFFFAOYSA-N

triethyleentetramine
cas number: 110670-33-2
cas number: 71124-11-3
in scheme: Conceptschema Chemische Stoffen
notation: TC2yeT4Ae
inchikey: VILCJCGEZXAXTO-UHFFFAOYSA-N
cas number: 14175-14-5
inchi: InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
smiles: C(CNCCNCCN)N
cas number: 112-24-3
type: ChemicalCompound
cas number: 105093-20-7
type: Concept
iupac name: N,N'-bis(2-aminoethyl)ethane-1,2-diamine @en
formula: C6H18N4
broader: CHEMONTID_0002228
type: ChemicalSubstance
pubchem: 5565
cas number: 39421-77-7

octachloorstyreen
type: ChemicalSubstance
broader: CHEMONTID_0001099
cas number: 62601-62-1
notation: OcClsrn
cas number: 29082-74-4
type: Concept
inchikey: RUYUCCQRWINUHE-UHFFFAOYSA-N
pubchem: 34466
in scheme: Conceptschema Chemische Stoffen
formula: C8Cl8
inchi: InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12
type: ChemicalCompound
iupac name: 1,2,3,4,5-pentachloro-6-(1,2,2-trichloroethenyl)benzene @en

neptunium 238
formula: Np
iupac name: neptunium-238 @en
type: Concept
cas number: 15766-25-3
in scheme: Conceptschema Chemische Stoffen
pubchem: 167422
inchikey: LFNLGNPSGWYGGD-OUBTZVSYSA-N
type: ChemicalSubstance
smiles: [Np]
inchi: InChI=1S/Np/i1+1
broader: CHEMONTID_0000430
type: ChemicalCompound
notation: Np238

2,2,4-trimethylpentaan
inchi: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
smiles: CC(C)CC(C)(C)C
broader: CHEMONTID_0004620
type: ChemicalSubstance
inchikey: NHTMVDHEPJAVLT-UHFFFAOYSA-N
iupac name: 2,2,4-Trimethylpentane @en
type: Concept
pubchem: 10907
formula: C8H18
cas number: 31921-36-5
notation: 224TC1yC5a
cas number: 540-84-1
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

1,3-diaminobenzeen
inchikey: WZCQRUWWHSTZEM-UHFFFAOYSA-N
type: ChemicalSubstance
smiles: C1=CC(=CC(=C1)N)N
notation: 13DAoBen
type: Concept
pubchem: 7935
formula: C6H8N2
cas number: 108-45-2
broader: CHEMONTID_0000284
iupac name: benzene-1,3-diamine @en
inchi: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

4-tert-butylpyrocatechol
type: Concept
pubchem: 7381
notation: 4ttC4yprctcl
inchi: InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
type: ChemicalSubstance
smiles: CC(C)(C)C1=CC(=C(C=C1)O)O
cas number: 98-29-3
type: ChemicalCompound
inchikey: XESZUVZBAMCAEJ-UHFFFAOYSA-N
formula: C10H14O2
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-tert-butylbenzene-1,2-diol @en

ethyleenoxide
notation: C2yeO
in scheme: Conceptschema Chemische Stoffen
inchikey: IAYPIBMASNFSPL-UHFFFAOYSA-N
comment: VLAREM II bijlage 4.4.2
cas number: 184288-32-2
type: ChemicalSubstance
broader: CHEMONTID_0000159
cas number: 99932-75-9
inchi: InChI=1S/C2H4O/c1-2-3-1/h1-2H2
pubchem: 6354
iupac name: ['Oxirane', '1-oxacycloprop-2-yne'] @en
smiles: C1CO1
cas number: 19034-08-3
cas number: 9072-62-2
type: ChemicalCompound
cas number: 75-21-8
cas number: 37341-05-2
type: Concept
formula: C2H4O
comment: VLAR III (D3) 'ethyleenoxide'

anisool
smiles: COC1=CC=CC=C1
cas number: 100-66-3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: Methoxybenzene @en
broader: CHEMONTID_0000138
formula: C7H8O
pubchem: 7519
inchikey: RDOXTESZEPMUJZ-UHFFFAOYSA-N
notation: ansl
inchi: InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
type: Concept
type: ChemicalCompound

mefenacet
notation: mefnct
formula: C16H14N2O2S
type: ChemicalCompound
pubchem: 91716
type: Concept
smiles: CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
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
broader: CHEMONTID_0000311
in scheme: Conceptschema Chemische Stoffen
cas number: 73250-68-7
iupac name: 2-(1,3-Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide @en
type: ChemicalSubstance
inchikey: XIGAUIHYSDTJHW-UHFFFAOYSA-N

gadodiamide
broader: CHEMONTID_0002309
formula: C16H26GdN5O8
cas number: 131410-48-5
type: ChemicalSubstance
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
type: Concept
type: ChemicalCompound
pubchem: 153921
smiles: CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
in scheme: Conceptschema Chemische Stoffen
inchikey: HZHFFEYYPYZMNU-UHFFFAOYSA-K
notation: gaddamde

m-benzidine
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: C1=CC(=CC(=C1)N)C2=CC(=CC=C2)N
type: Concept
formula: C12H12N2
type: ChemicalCompound
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
inchikey: NDXGRHCEHPFUSU-UHFFFAOYSA-N
cas number: 2050-89-7
broader: CHEMONTID_0000041
notation: mbenzdne
pubchem: 74912

ethyleendiamine tetra(methyleen fosfonzuur) (edtmp)
notation: EDTMP
type: ChemicalCompound
cas number: 1429-50-1
formula: C6H23N3O12P4
broader: CHEMONTID_0001302
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
pubchem: 162806
type: Concept
iupac name: azane; [2-(bis(phosphonomethyl)amino)ethyl-(phosphonomethyl)amino]methylphosphonic acid @en
alternative label: ethyleendiamine tetra(methyleen fosfonzuur) (EDTMP)
in scheme: Conceptschema Chemische Stoffen
cas number: 57011-27-5
inchikey: STNSYZSNIYTNMI-UHFFFAOYSA-N
type: ChemicalSubstance

manam
cas number: 10198-45-5
cas number: 60226-96-2
notation: manm
type: ChemicalCompound
smiles: CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Mn+2]
inchikey: KQUQKVGNBPTEFO-UHFFFAOYSA-L
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
formula: C6H12MnN2S4
cas number: 15339-36-3
cas number: 7786-33-6
cas number: 6379-47-1
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 61792
broader: CHEMONTID_0003997
type: ChemicalSubstance

camphorsulfonzuur
type: Concept
smiles: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C
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
formula: C10H15O4S-
iupac name: [(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 3144-16-9
pubchem: 6992131
notation: campsfzr
inchikey: MIOPJNTWMNEORI-XVKPBYJWSA-M
broader: CHEMONTID_0001564

fluconazol
type: ChemicalCompound
type: Concept
inchikey: RFHAOTPXVQNOHP-UHFFFAOYSA-N
pubchem: 3365
notation: flucnzl
formula: C13H12F2N6O
broader: CHEMONTID_0001100
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
cas number: 86386-73-4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol @en

beta-endosulfan
in scheme: Conceptschema Chemische Stoffen
notation: bedsfn
cas number: 891-86-1
cas number: 19670-15-6
inchikey: RDYMFSUJUZBWLH-VQDHCCOSSA-N
formula: C9H6Cl6O3S
cas number: 33213-65-9
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
broader: CHEMONTID_0002074
pubchem: 6434141
type: ChemicalSubstance
type: Concept
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
type: ChemicalCompound
cas number: 12640-59-4

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

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

norfludiazepam
iupac name: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one @en
formula: C15H10ClFN2O
notation: norfDazpm
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 2886-65-9
broader: CHEMONTID_0004097
inchikey: UVCOILFBWYKHHB-UHFFFAOYSA-N
type: ChemicalCompound
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)
type: ChemicalSubstance
pubchem: 4540

tantalum 182
iupac name: tantalum-182 @en
smiles: [Ta]
inchi: InChI=1S/Ta/i1+1
type: Concept
pubchem: 161013
inchikey: GUVRBAGPIYLISA-OUBTZVSYSA-N
notation: Ta182
formula: Ta
broader: CHEMONTID_0000426
type: ChemicalSubstance
type: ChemicalCompound
cas number: 13982-00-8
in scheme: Conceptschema Chemische Stoffen

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

ivermectine
type: ChemicalCompound
formula: C95H146O28
notation: ivmctne
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
broader: CHEMONTID_0002902
inchikey: SPBDXSGPUHCETR-MVGRHBATSA-N
cas number: 70288-86-7
pubchem: 6474909
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
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

ijzerpentacarbonyl
pubchem: 26040
type: ChemicalCompound
inchikey: FYOFOKCECDGJBF-UHFFFAOYSA-N
type: ChemicalSubstance
notation: FePecbnl
smiles: C=O.C=O.C=O.C=O.C=O.[Fe]
broader: CHEMONTID_0001270
cas number: 37220-42-1
iupac name: carbon monoxide; iron @en
inchi: InChI=1S/5CO.Fe/c5*1-2;
type: Concept
cas number: 36823-35-5
cas number: 540770-45-4
in scheme: Conceptschema Chemische Stoffen
cas number: 13463-40-6
formula: C5FeO5

4-chloor-4'-hydroxybenzofenon
type: Concept
pubchem: 123504
in scheme: Conceptschema Chemische Stoffen
iupac name: (4-chlorophenyl)-(4-hydroxyphenyl)methanone @en
type: ChemicalSubstance
cas number: 42019-78-3
smiles: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O
inchikey: RUETVLNXAGWCDS-UHFFFAOYSA-N
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
type: ChemicalCompound
formula: C13H9ClO2
broader: CHEMONTID_0000120
notation: 4Cl4HOxbzfnn

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

triethylamine-triclopyr
broader: CHEMONTID_0003971
type: ChemicalCompound
notation: TC2yAeTcpr
pubchem: 42163
type: ChemicalSubstance
inchikey: ROKVVMOXSZIDEG-UHFFFAOYSA-N
formula: C13H19Cl3N2O3
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
cas number: 57213-69-1
smiles: CCN(CC)CC.C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl
iupac name: N,N-diethylethanamine; 2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid @en

propyleenglycolmonomethyletheracetaat
type: Concept
cas number: 108-65-6
notation: PGMEA
formula: C6H12O3
broader: CHEMONTID_0001238
cas number: 142300-82-1
smiles: CC(COC)OC(=O)C
inchi: InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3
pubchem: 7946
iupac name: 1-methoxypropan-2-yl acetate @en
inchikey: LLHKCFNBLRBOGN-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

neodecaanzuur
inchikey: PKJSRUTWBDIWAR-UHFFFAOYSA-N
formula: C10H20O2
type: Concept
inchi: InChI=1S/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
in scheme: Conceptschema Chemische Stoffen
pubchem: 62817
broader: CHEMONTID_0003086
smiles: CCC(C)(CCC(C)C)C(=O)O
notation: neoC10azr
cas number: 26896-20-8
type: ChemicalCompound
type: ChemicalSubstance
iupac name: 2-ethyl-2,5-dimethylhexanoic acid @en

nitrosonornicotine
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001975
cas number: 16543-55-8
type: Concept
cas number: 64162-57-8
cas number: 53759-22-1
cas number: 80508-23-2
type: ChemicalCompound
formula: C9H11N3O
inchikey: XKABJYQDMJTNGQ-UHFFFAOYSA-N
pubchem: 27919
iupac name: 3-(1-nitrosopyrrolidin-2-yl)pyridine @en
cas number: 64162-58-9
type: ChemicalSubstance
smiles: C1CC(N(C1)N=O)C2=CN=CC=C2
notation: NOnnctne
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
cas number: 84237-38-7

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

octinoxaat
in scheme: Conceptschema Chemische Stoffen
cas number: 155867-04-2
iupac name: ['2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate', '2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate'] @en
cas number: 5466-77-3
type: Concept
formula: C18H26O3
smiles: CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC
alternative label: 2-ethylhexyl-4-methoxycinnamaat
type: ChemicalSubstance
broader: CHEMONTID_0003480
type: ChemicalCompound
pubchem: 5355130
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+
inchikey: YBGZDTIWKVFICR-JLHYYAGUSA-N
notation: 2C2yC6y4C1ox

6,10,14-trimethyl-2-pentadecanon
cas number: 16825-16-4
smiles: CC(C)CCCC(C)CCCC(C)CCCC(=O)C
notation: 61014TC1y2C1
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
inchikey: WHWDWIHXSPCOKZ-UHFFFAOYSA-N
broader: CHEMONTID_0001550
formula: C18H36O
cas number: 502-69-2
pubchem: 10408
cas number: 13955-74-3

chlorofyl-a
type: Concept
inchikey: ATNHDLDRLWWWCB-ZPPYAHEGSA-M
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
type: ChemicalCompound
notation: CHLFa
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
broader: CHEMONTID_0000716
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 5280772
formula: C55H72MgN4O5
cas number: 479-61-8

2H,2H,3H,3H-perfluorundecaanzuur
broader: CHEMONTID_0003086
inchikey: JZRCRCFPVAXHHQ-UHFFFAOYSA-N
alternative label: 2h,2h,3h,3h-perfluorundecaanzuur
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
in scheme: Conceptschema Chemische Stoffen
cas number: 34598-33-9
pubchem: 2782413
type: ChemicalSubstance
formula: C11H5F17O2
type: Concept
notation: H-PFUdA
notation: 4H-PFUnDA
type: ChemicalCompound

2-methyl-2-propaanthiol
in scheme: Conceptschema Chemische Stoffen
formula: C4H10S
cas number: 3374-16-1
cas number: 75-66-1
type: ChemicalSubstance
broader: CHEMONTID_0001212
pubchem: 6387
notation: 2C1y2C3atol
cas number: 16528-55-5
type: ChemicalCompound
inchikey: WMXCDAVJEZZYLT-UHFFFAOYSA-N
iupac name: 2-Methylpropane-2-thiol @en
type: Concept
smiles: CC(C)(C)S
inchi: InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3

diacetylmorfine
broader: CHEMONTID_0000058
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
inchikey: GVGLGOZIDCSQPN-PVHGPHFFSA-N
type: ChemicalSubstance
cas number: 2078-90-2
type: ChemicalCompound
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
type: Concept
pubchem: 5462328
notation: Dactmfne
in scheme: Conceptschema Chemische Stoffen
formula: C21H23NO5
cas number: 561-27-3

c.i. direct blue 6
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
inchikey: HOPRIFATEWRIEO-YSKRITFZSA-J
type: Concept
type: ChemicalCompound
formula: C32H20N6Na4O14S4
cas number: 179472-56-1
in scheme: Conceptschema Chemische Stoffen
cas number: 116675-43-5
type: ChemicalSubstance
alternative label: C.I. Direct Blue 6
notation: cidbe6
broader: CHEMONTID_0000041
pubchem: 9570116
cas number: 2602-46-2

2,5-dimethylhexaan
inchi: InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: UWNADWZGEHDQAB-UHFFFAOYSA-N
broader: CHEMONTID_0004620
iupac name: 2,5-Dimethylhexane @en
type: Concept
cas number: 592-13-2
pubchem: 11592
notation: 25DC1yC6a
smiles: CC(C)CCC(C)C
formula: C8H18

2-propylfenol
cas number: 644-35-9
pubchem: 12570
notation: 2C3yFol
smiles: CCCC1=CC=CC=C1O
type: ChemicalCompound
iupac name: 2-Propylphenol @en
broader: CHEMONTID_0002811
formula: C9H12O
type: ChemicalSubstance
inchikey: LCHYEKKJCUJAKN-UHFFFAOYSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3

clodinafop
type: Concept
iupac name: (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid @en
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
type: ChemicalCompound
type: ChemicalSubstance
formula: C14H11ClFNO4
broader: CHEMONTID_0004674
inchikey: YUIKUTLBPMDDNQ-MRVPVSSYSA-N
notation: clodnfp
cas number: 114420-56-3
in scheme: Conceptschema Chemische Stoffen
pubchem: 5483847

4,4’-methylenebis(2-chlooraniline)
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
formula: C13H12Cl2N2
cas number: 78642-65-6
in scheme: Conceptschema Chemische Stoffen
cas number: 126699-69-2
cas number: 101-14-4
iupac name: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline @en
type: ChemicalSubstance
pubchem: 7543
cas number: 51065-07-7
inchikey: IBOFVQJTBBUKMU-UHFFFAOYSA-N
type: ChemicalCompound
alternative label: 4,4'-methyleenbis(2-chlooraniline)
smiles: C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N
cas number: 29371-14-0
notation: 44C1yeb2ClAn
broader: CHEMONTID_0000369
type: Concept

norfloxacine
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)
notation: norfxcne
inchikey: OGJPXUAPXNRGGI-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 4539
type: Concept
iupac name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid @en
in scheme: Conceptschema Chemische Stoffen
cas number: 70458-96-7
type: ChemicalCompound
broader: CHEMONTID_0002552

perfluor-n-tetradecaanzuur
cas number: 376-06-7
alternative label: perfluor-n-tetradecaanzuur (pfteda)
alternative label: perfluortetradecaanzuur
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
inchikey: RUDINRUXCKIXAJ-UHFFFAOYSA-N
notation: PFTeDA
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C14HF27O2
pubchem: 67822
type: Concept
type: ChemicalCompound
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)
broader: CHEMONTID_0002949

(+)-delta-cadineen
type: Concept
smiles: CC1=CC2C(CCC(=C2CC1)C)C(C)C
notation: dcadnn
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
broader: CHEMONTID_0001550
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 483-76-1
inchikey: FUCYIEXQVQJBKY-UHFFFAOYSA-N
formula: C15H24
pubchem: 10223

sulfadimidine
alternative label: sulfamethazine
notation: sulfdmdne
type: ChemicalSubstance
broader: CHEMONTID_0001925
iupac name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide @en
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)
type: ChemicalCompound
inchikey: ASWVTGNCAZCNNR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C12H14N4O2S
cas number: 57-68-1
pubchem: 5327
type: Concept

cefotaxime
formula: C16H16N5NaO7S2
inchikey: AZZMGZXNTDTSME-XJTDMATHSA-M
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 9570740
type: Concept
type: ChemicalCompound
cas number: 63527-52-6
broader: CHEMONTID_0001189
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
notation: ceftxme
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

disulfoton-sulfoxide
notation: DsftSO
smiles: CCOP(=S)(OCC)SCCS(=O)CC
pubchem: 17242
inchi: InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: UPUGLJYNCXXUQV-UHFFFAOYSA-N
formula: C8H19O3PS3
broader: CHEMONTID_0004164
cas number: 2497-07-6
type: ChemicalCompound
type: Concept
iupac name: diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidenephosphorane @en

1,1-dibroomethaan
pubchem: 11201
cas number: 557-91-5
smiles: CC(Br)Br
in scheme: Conceptschema Chemische Stoffen
inchikey: APQIUTYORBAGEZ-UHFFFAOYSA-N
type: ChemicalCompound
inchi: InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3
cas number: 25620-62-6
type: ChemicalSubstance
type: Concept
notation: 11DBrC2a
iupac name: 1,1-DIBROMOETHANE @en
broader: CHEMONTID_0001515
formula: C2H4Br2

jodium 125
type: ChemicalCompound
pubchem: 104800
broader: CHEMONTID_0000548
type: Concept
inchikey: XMBWDFGMSWQBCA-YPZZEJLDSA-N
inchi: InChI=1S/HI/h1H/i1-2
in scheme: Conceptschema Chemische Stoffen
cas number: 14158-31-7
type: ChemicalSubstance
smiles: I
formula: HI
notation: I125
iupac name: Iodane-125 @en

4-methyloctaan
pubchem: 16665
broader: CHEMONTID_0004620
type: Concept
type: ChemicalSubstance
formula: C9H20
inchi: InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3
inchikey: DOGIHOCMZJUJNR-UHFFFAOYSA-N
cas number: 2216-34-4
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 4C1yC8a
iupac name: 4-Methyloctane @en
smiles: CCCCC(C)CCC

iopamidol
inchikey: XQZXYNRDCRIARQ-LURJTMIESA-N
alternative label: jopamidol
pubchem: 65492
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C17H22I3N3O8
iupac name: N,N'-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide @en
broader: CHEMONTID_0004361
type: Concept
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
cas number: 60166-93-0
notation: jopmdl
type: ChemicalCompound

hymexazool
pubchem: 24781
cas number: 128907-24-4
inchikey: KGVPNLBXJKTABS-UHFFFAOYSA-N
notation: hymxzl
type: Concept
inchi: InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)
in scheme: Conceptschema Chemische Stoffen
formula: C4H5NO2
type: ChemicalCompound
iupac name: 5-methyl-1,2-oxazol-3-one @en
cas number: 10004-44-1
type: ChemicalSubstance
broader: CHEMONTID_0000081
smiles: CC1=CC(=O)NO1

pp'dichloordifenyltrichloorethaan
notation: 44DDT
in scheme: Conceptschema Chemische Stoffen
alternative label: p,p’-ddt
alternative label: p,p'-ddt
iupac name: 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene @en
formula: C14H9Cl5
pubchem: 3036
cas number: 50-29-3
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
type: ChemicalSubstance
alternative label: 4,4'-dichloordifenyltrichloorethaan
inchikey: YVGGHNCTFXOJCH-UHFFFAOYSA-N
broader: CHEMONTID_0000369
type: ChemicalCompound
type: Concept

jodide
pubchem: 30165
iupac name: Iodide @en
inchi: InChI=1S/HI/h1H/p-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000432
type: Concept
smiles: [I-]
type: ChemicalCompound
type: ChemicalSubstance
inchikey: XMBWDFGMSWQBCA-UHFFFAOYSA-M
notation: I
formula: I-
cas number: 20461-54-5

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

chloraat
type: ChemicalSubstance
smiles: [O-]Cl(=O)=O
in scheme: Conceptschema Chemische Stoffen
pubchem: 104770
formula: ClO3-
type: Concept
inchikey: XTEGARKTQYYJKE-UHFFFAOYSA-M
cas number: 14866-68-3
broader: CHEMONTID_0001049
notation: ClO3
type: ChemicalCompound
inchi: InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1
notation: ClTO
cas number: 13932-10-0
alternative label: chloortrioxide
iupac name: Chlorate @en

trifenyltinhydroxide
cas number: 76-87-9
type: ChemicalSubstance
inchikey: NRHFWOJROOQKBK-UHFFFAOYSA-N
type: Concept
formula: C18H17OSn
pubchem: 6327657
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;
broader: CHEMONTID_0002279
type: ChemicalCompound
iupac name: tri(phenyl)tin hydrate @en

traseolide
pubchem: 91696
broader: CHEMONTID_0000027
in scheme: Conceptschema Chemische Stoffen
inchikey: IMRYETFJNLKUHK-UHFFFAOYSA-N
cas number: 68140-48-7
formula: C18H26O
iupac name: 1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone @en
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
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
notation: ATTI

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

(1-ethylnonyl)-benzeen
cas number: 4536-87-2
type: ChemicalCompound
smiles: CCCCCCCCC(CC)C1=CC=CC=C1
type: ChemicalSubstance
iupac name: undecan-3-ylbenzene @en
formula: C17H28
notation: 1C2yC9yBen
type: Concept
broader: CHEMONTID_0002811
in scheme: Conceptschema Chemische Stoffen
pubchem: 20655
inchikey: NVHBFHMWJJMQTG-UHFFFAOYSA-N
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

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

chloorxylenol
type: Concept
inchikey: OSDLLIBGSJNGJE-UHFFFAOYSA-N
notation: clxlnl
pubchem: 2723
alternative label: 4-chloor-3,5-dimethylfenol
in scheme: Conceptschema Chemische Stoffen
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
formula: C8H9ClO
type: ChemicalSubstance
smiles: CC1=CC(=CC(=C1Cl)C)O
type: ChemicalCompound
cas number: 88-04-0
broader: CHEMONTID_0001273

tetraethylpyrofosfaat
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: CCOP(=O)(OCC)OP(=O)(OCC)OCC
type: Concept
pubchem: 7873
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
cas number: 107-49-3
iupac name: diethoxyphosphoryl diethyl phosphate @en
formula: C8H20O7P2
type: ChemicalCompound
inchikey: IDCBOTIENDVCBQ-UHFFFAOYSA-N
broader: CHEMONTID_0001804
notation: TEPP

lufenuron
iupac name: N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide @en
inchikey: PWPJGUXAGUPAHP-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
notation: lufnrn
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C17H8Cl2F8N2O3
broader: CHEMONTID_0001935
pubchem: 71777
cas number: 103055-07-8

fensulfothion
pubchem: 8292
type: Concept
type: ChemicalCompound
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
formula: C11H17O4PS2
type: ChemicalSubstance
inchikey: XDNBJTQLKCIJBV-UHFFFAOYSA-N
iupac name: diethoxy-(4-methylsulfinylphenoxy)-sulfanylidenephosphorane @en
notation: fensfton
broader: CHEMONTID_0004748
in scheme: Conceptschema Chemische Stoffen
cas number: 115-90-2
smiles: CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C

aminotrimethyleen fosfonzuur
cas number: 6419-19-8
iupac name: hexapotassium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine @en
broader: CHEMONTID_0001302
cas number: 40588-62-3
type: ChemicalSubstance
notation: AoTC1yePA
formula: C3H6K6NO9P3
inchikey: DKPHLYCEFBDQKM-UHFFFAOYSA-H
type: ChemicalCompound
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
pubchem: 161581
smiles: C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+]
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 27794-93-0

2,2',3,3',4,4',5,6-octachloorbifenyl
cas number: 55722-26-4
formula: C12H2Cl8
type: Concept
broader: CHEMONTID_0003030
cas number: 31472-83-0
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalCompound
pubchem: 40485
cas number: 11064-17-8
inchikey: JAHJITLFJSDRCG-UHFFFAOYSA-N
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene @en
cas number: 52663-78-2
type: ChemicalSubstance
notation: PCB195

n-methyl perfluoroctaansulfonamide
inchikey: SRMWNTGHXHOWBT-UHFFFAOYSA-N
formula: C9H4F17NO2S
alternative label: n-methylperfluor-n-octaansulfonamide (mepfosa)
notation: MePFOSA
alternative label: N-methylperfluoroctaansulfonamide
type: Concept
type: ChemicalCompound
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
cas number: 122526-47-0
type: ChemicalSubstance
broader: CHEMONTID_0003960
cas number: 31506-32-8
notation: MeFOSA
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
in scheme: Conceptschema Chemische Stoffen
alternative label: n-methylperfluor-n-octaansulfonamide
pubchem: 3034468
alternative label: N-methyl perfluoroctaansulfonamide
alternative label: n-methylperfluoroctaan-1-sulfonamide (mepfosa)

methiocarbsulfoxide
notation: metocbSO
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate @en
broader: CHEMONTID_0004640
type: ChemicalCompound
smiles: CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC
inchikey: FNCMBMZOZQAWJA-UHFFFAOYSA-N
cas number: 2635-10-1
pubchem: 17521
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)
formula: C11H15NO3S
type: Concept

mefluidide
type: Concept
cas number: 53780-34-0
cas number: 55584-91-3
cas number: 55599-99-0
notation: mefidde
pubchem: 40896
type: ChemicalCompound
formula: C11H13F3N2O3S
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: OKIBNKKYNPBDRS-UHFFFAOYSA-N
broader: CHEMONTID_0000038

quinoxyfen
in scheme: Conceptschema Chemische Stoffen
iupac name: 5,7-dichloro-4-(4-fluorophenoxy)quinoline @en
type: Concept
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
broader: CHEMONTID_0002463
inchikey: WRPIRSINYZBGPK-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 3391107
cas number: 124495-18-7
notation: quinoxfn
formula: C15H8Cl2FNO

2-hydroxyethylhydrazine
cas number: 109-84-2
smiles: C(CO)NN
inchi: InChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2
inchikey: GBHCABUWWQUMAJ-UHFFFAOYSA-N
broader: CHEMONTID_0002460
type: ChemicalSubstance
iupac name: 2-hydrazinylethanol @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C2H8N2O
type: ChemicalCompound
notation: 2HOxC2yhdzne
pubchem: 8017

3-hydroxypropylmethacrylaat
type: ChemicalCompound
cas number: 68298-92-0
cas number: 39420-45-6
cas number: 50858-50-9
cas number: 55844-66-1
iupac name: 3-hydroxypropyl 2-methylprop-2-enoate @en
type: Concept
inchi: InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3
notation: 3HOC3ymtclt
formula: C7H12O3
cas number: 72146-59-9
pubchem: 17694
cas number: 2761-09-3
cas number: 111173-57-0
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003626
cas number: 78736-62-6
inchikey: GNSFRPWPOGYVLO-UHFFFAOYSA-N
type: ChemicalSubstance
smiles: CC(=C)C(=O)OCCCO

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

1,3,5-triallylisocyanuraat
type: ChemicalCompound
cas number: 109521-50-8
type: Concept
notation: 135Talicaurt
iupac name: 1,3,5-tri(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione @en
type: ChemicalSubstance
pubchem: 13931
cas number: 196519-94-5
broader: CHEMONTID_0001920
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
smiles: C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
in scheme: Conceptschema Chemische Stoffen
cas number: 123339-46-8
inchikey: KOMNUTZXSVSERR-UHFFFAOYSA-N
formula: C12H15N3O3
cas number: 1025-15-6

pentachlooraniline
pubchem: 10693
inchi: InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
inchikey: KHCZSJXTDDHLGJ-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 527-20-8
smiles: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N
notation: PeClAn
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3,4,5,6-Pentachloroaniline @en
broader: CHEMONTID_0000284
type: Concept
formula: C6H2Cl5N
type: ChemicalCompound

pentachloorethaan
formula: C2HCl5
iupac name: 1,1,1,2,2-pentachloroethane @en
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 6419
inchikey: BNIXVQGCZULYKV-UHFFFAOYSA-N
inchi: InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H
smiles: C(C(Cl)(Cl)Cl)(Cl)Cl
cas number: 76-01-7
notation: PeClC2a
type: ChemicalSubstance
broader: CHEMONTID_0001516

medinoterbacetaat
iupac name: (2-tert-butyl-3-methyl-4,6-dinitrophenyl) acetate @en
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
formula: C13H16N2O6
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003969
notation: medntactt
cas number: 2487-01-6
inchikey: GZJNBGYLANALSV-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 17212
type: ChemicalSubstance
smiles: CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)C(C)(C)C
type: Concept

3,4-methyleendioxyamfetamine
type: ChemicalSubstance
smiles: CC(CC1=CC2=C(C=C1)OCO2)N
formula: C10H13NO2
cas number: 4764-17-4
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0000296
type: Concept
notation: 34C1yeDoxafA
pubchem: 1614
iupac name: 1-(1,3-benzodioxol-5-yl)propan-2-amine @en
inchikey: NGBBVGZWCFBOGO-UHFFFAOYSA-N
type: ChemicalCompound

bupirimaat
cas number: 58694-46-5
cas number: 41483-43-6
type: ChemicalSubstance
pubchem: 38884
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: buprmt
inchikey: DSKJPMWIHSOYEA-UHFFFAOYSA-N
broader: CHEMONTID_0001262
smiles: CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C
iupac name: (5-butyl-2-ethylamino-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate @en
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)
type: ChemicalCompound

perfluor-n-nonaansulfonzuur (pfns)
notation: PFNS
alternative label: perfluornonaan-1-sulfonzuur
notation: PFC9asfzr
cas number: 68259-12-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 86998
alternative label: perfluor-n-nonaansulfonzuur
formula: C9HF19O3S
type: Concept
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
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)
broader: CHEMONTID_0003961
inchikey: MNEXVZFQQPKDHC-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance

N,N-diethylaniline
broader: CHEMONTID_0003901
inchi: InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
notation: NNDC2yAn
smiles: CCN(CC)C1=CC=CC=C1
type: ChemicalCompound
alternative label: n,n-diethylaniline
in scheme: Conceptschema Chemische Stoffen
inchikey: GGSUCNLOZRCGPQ-UHFFFAOYSA-N
pubchem: 7061
type: ChemicalSubstance
cas number: 91-66-7
type: Concept
formula: C10H15N
iupac name: N,N-Diethylaniline @en

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

imibenconazool
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0002564
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
formula: C17H13Cl3N4S
type: Concept
notation: imbcnzl
type: ChemicalCompound
pubchem: 93483
iupac name: 1-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine @en
inchikey: AGKSTYPVMZODRV-UHFFFAOYSA-N
cas number: 86598-92-7

gadobeenzuur
broader: CHEMONTID_0002995
cas number: 113662-23-0
inchikey: OCDAWJYGVOLXGZ-VPVMAENOSA-K
pubchem: 197281
formula: C36H62GdN5O21
notation: gadbzr
cas number: 127000-20-8
type: ChemicalSubstance
type: Concept
cas number: 12700-20-8
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]
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
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

(pentabroomfenyl)methylacrylaat
notation: PeBrFyC1yacl
inchikey: GRKDVZMVHOLESV-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
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
cas number: 59447-55-1
smiles: C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
pubchem: 101059
iupac name: (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001097
type: ChemicalCompound

benzylbenzoaat
type: ChemicalCompound
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
notation: benzbzat
inchikey: SESFRYSPDFLNCH-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0001350
cas number: 120-51-4
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
formula: C14H12O2
iupac name: Phenylmethyl benzoate @en
pubchem: 2345

profluraline
notation: profrlne
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 26399-36-0
inchikey: ITVQAKZNYJEWKS-UHFFFAOYSA-N
iupac name: N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline @en
cas number: 52002-14-9
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
cas number: 12676-46-9
broader: CHEMONTID_0003968
type: ChemicalSubstance
smiles: CCCN(CC1CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
type: Concept
cas number: 11096-25-6
pubchem: 33500
formula: C14H16F3N3O4

bde 100
alternative label: 2,2',4,4',6-pentabroomdifenylether (bde100)
iupac name: 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene @en
inchikey: NSKIRYMHNFTRLR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 189084-64-8
type: ChemicalSubstance
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
pubchem: 154083
formula: C12H5Br5O
broader: CHEMONTID_0001845
type: ChemicalCompound
type: Concept
alternative label: 2,2',4,4',6-pentabroomdifenylether
notation: PBDE100

lithium carbonaat
inchikey: XGZVUEUWXADBQD-UHFFFAOYSA-L
broader: CHEMONTID_0001521
cas number: 10377-37-4
formula: CLi2O3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchi: InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
cas number: 12767-19-0
type: ChemicalSubstance
smiles: [Li+].[Li+].C(=O)([O-])[O-]
pubchem: 11125
iupac name: Dilithium carbonate @en
notation: LiCO3
type: Concept
cas number: 554-13-2
cas number: 216964-61-3

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

propachlooroxalaat
broader: CHEMONTID_0000060
iupac name: 2-oxo-2-(phenyl-propan-2-ylamino)acetic acid @en
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O
type: Concept
pubchem: 155385
in scheme: Conceptschema Chemische Stoffen
notation: propCloxlt
cas number: 70628-36-3
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)
formula: C11H13NO3
inchikey: HYHJOUPYTUBFIX-UHFFFAOYSA-N

erytromycine
cas number: 82343-12-2
pubchem: 12560
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
type: ChemicalCompound
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
type: Concept
type: ChemicalSubstance
inchikey: ULGZDMOVFRHVEP-RWJQBGPGSA-N
cas number: 114-07-8
notation: ertmcne
broader: CHEMONTID_0000282
formula: C37H67NO13
in scheme: Conceptschema Chemische Stoffen

maprotiline
broader: CHEMONTID_0000018
type: ChemicalCompound
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
smiles: CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
inchikey: QSLMDECMDJKHMQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 4011
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
formula: C20H23N
type: ChemicalSubstance
cas number: 10262-69-8
notation: maptlne
type: Concept

2-ethoxybutaan
broader: CHEMONTID_0001167
formula: C6H14O
iupac name: 2-ETHOXYBUTANE @en
notation: 2C2oxC4a
smiles: CCC(C)OCC
inchikey: VSCUCHUDCLERMY-UHFFFAOYSA-N
type: ChemicalCompound
inchi: InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3
cas number: 2679-87-0
in scheme: Conceptschema Chemische Stoffen
pubchem: 17586
cas number: 19316-73-5
type: Concept
type: ChemicalSubstance

2-nitrodifenylamine
smiles: C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0000036
pubchem: 8407
formula: C12H10N2O2
notation: 2NO2DFyAe
type: ChemicalSubstance
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
cas number: 119-75-5
iupac name: ['N-hydroxy-2-(phenylamino)benzeneamine oxide', 'N-oxido-N-[2-(phenylamino)phenyl]hydroxylamine', '2-Nitro-N-phenylaniline'] @en
inchikey: RUKISNQKOIKZGT-UHFFFAOYSA-N
type: ChemicalCompound

desethylterbumeton
type: ChemicalSubstance
cas number: 30125-64-5
notation: desC2ytbmtn
broader: CHEMONTID_0004734
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)
pubchem: 185719
iupac name: N-tert-butyl-6-methoxy-1,3,5-triazine-2,4-diamine @en
smiles: CC(C)(C)NC1=NC(=NC(=N1)N)OC
inchikey: HSYISQLUXXBNFW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound

natriumsilicaat
formula: H10Na2O8Si
inchi: InChI=1S/2Na.O3Si.5H2O/c;;1-4(2)3;;;;;/h;;;5*1H2/q2*+1;-2;;;;;
pubchem: 61495
iupac name: disodium dioxido-oxosilane pentahydrate @en
cas number: 12001-15-9
type: Concept
cas number: 10213-79-3
notation: NaSiO2
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1344-09-8
in scheme: Conceptschema Chemische Stoffen
inchikey: ADPGKKZKGXANON-UHFFFAOYSA-N
smiles: O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]
broader: CHEMONTID_0000901

1-hydroxypyreen
type: ChemicalCompound
inchikey: BIJNHUAPTJVVNQ-UHFFFAOYSA-N
type: ChemicalSubstance
smiles: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
in scheme: Conceptschema Chemische Stoffen
cas number: 63021-84-1
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
cas number: 5315-79-7
iupac name: Pyren-1-ol @en
formula: C16H10O
broader: CHEMONTID_0001851
pubchem: 21387
notation: 1HOxPyr
type: Concept

abamectine
in scheme: Conceptschema Chemische Stoffen
notation: abmtne
type: ChemicalSubstance
formula: C95H142O28
type: ChemicalCompound
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
pubchem: 6435890
broader: CHEMONTID_0000147
cas number: 71751-41-2
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
type: Concept
cas number: 86753-29-9
inchikey: IBSREHMXUMOFBB-MVGRHBATSA-N

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

cyproconazool
formula: C15H18ClN3O
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: UFNOUKDBUJZYDE-UHFFFAOYSA-N
pubchem: 86132
type: Concept
cas number: 113096-99-4
iupac name: 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
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
cas number: 94361-06-5
broader: CHEMONTID_0002811
type: ChemicalSubstance
notation: cypcnzl

mesalazine
type: ChemicalSubstance
inchikey: KBOPZPXVLCULAV-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
cas number: 89-57-6
type: ChemicalCompound
cas number: 61513-32-4
notation: meslzne
in scheme: Conceptschema Chemische Stoffen
iupac name: 5-Amino-2-hydroxybenzoic acid @en
smiles: C1=CC(=C(C=C1N)C(=O)O)O
pubchem: 4075
broader: CHEMONTID_0002948
formula: C7H7NO3

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

diafenthiuron
in scheme: Conceptschema Chemische Stoffen
cas number: 80060-09-9
type: ChemicalCompound
inchikey: WOWBFOBYOAGEEA-UHFFFAOYSA-N
notation: Dfturn
type: ChemicalSubstance
iupac name: 3-tert-butyl-1-[4-(phenoxy)-2,6-di(propan-2-yl)phenyl]thiourea @en
pubchem: 91732
formula: C23H32N2OS
type: Concept
broader: CHEMONTID_0004155
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)

bupropion
smiles: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
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
in scheme: Conceptschema Chemische Stoffen
cas number: 34841-39-9
type: Concept
pubchem: 444
notation: buppon
formula: C13H18ClNO
inchikey: SNPPWIUOZRMYNY-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0004298
iupac name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one @en
type: ChemicalSubstance
cas number: 34911-55-2

eicosamethylcyclodecasiloxaan
inchikey: CDNNKGWZSNSADW-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 519601
in scheme: Conceptschema Chemische Stoffen
notation: C20aC1yccDcs
cas number: 18772-36-6
type: Concept
type: ChemicalCompound
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
formula: C20H60O10Si10
broader: CHEMONTID_0004445

butalbital
type: Concept
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)
pubchem: 2481
inchikey: UZVHFVZFNXBMQJ-UHFFFAOYSA-N
broader: CHEMONTID_0000292
iupac name: 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 77-26-9
notation: butbtl
smiles: CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C
formula: C11H16N2O3

som tertiair-octylfenol-isomeren
cas number: 30105-54-5
formula: C14H22O
notation: sttC8yFol
smiles: CC(C)(C)CC(C)(C)C1=CC=CC=C1O
pubchem: 62530
type: ChemicalCompound
cas number: 209859-96-1
type: ChemicalSubstance
type: Concept
cas number: 3884-95-5
cas number: 62744-41-6
cas number: 27193-28-8
inchikey: XSXWOBXNYNULJG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 29932-96-5
broader: CHEMONTID_0002811
iupac name: 2-(2,4,4-trimethylpentan-2-yl)phenol @en
cas number: 1322-69-6
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

octabroomdifenylether
formula: C12H2Br8O
type: ChemicalCompound
pubchem: 6537506
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0001845
inchikey: ORYGKUIDIMIRNN-UHFFFAOYSA-N
cas number: 32536-52-0
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

metolachlor
inchikey: WVQBLGZPHOPPFO-UHFFFAOYSA-N
alternative label: metolachloor
smiles: CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
notation: metlCl
cas number: 63150-68-5
cas number: 55762-76-0
cas number: 82535-90-8
cas number: 94449-58-8
formula: C15H22ClNO2
pubchem: 4169
type: Concept
cas number: 51218-45-2
broader: CHEMONTID_0000285
iupac name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide @en

pentadecanal
inchi: InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
formula: C15H30O
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: XGQJZNCFDLXSIJ-UHFFFAOYSA-N
iupac name: Pentadecanal @en
type: ChemicalCompound
broader: CHEMONTID_0000298
cas number: 2765-11-9
type: ChemicalSubstance
smiles: CCCCCCCCCCCCCCC=O
pubchem: 17697
notation: C15al

C.I. Disperse Yellow 3
alternative label: c.i. disperse yellow 3
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+
inchikey: ZGLBGXHBFHCOAF-NBVRZTHBSA-N
broader: CHEMONTID_0001846
cas number: 12227-01-9
formula: C15H15N3O2
type: ChemicalCompound
cas number: 12238-70-9
cas number: 66057-65-6
pubchem: 5372015
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
cas number: 2832-40-8
notation: cidyw3
type: Concept

melem
broader: CHEMONTID_0001693
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
inchikey: YSRVJVDFHZYRPA-UHFFFAOYSA-N
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)
smiles: C1(=NC2=NC(=N)N=C3N2C(=NC(=N3)N)N1)N
pubchem: 73919
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: melm
type: ChemicalSubstance
cas number: 1502-47-2
type: Concept
formula: C6H6N10

1,2,3-trichloorpropaan
in scheme: Conceptschema Chemische Stoffen
formula: C3H5Cl3
type: Concept
pubchem: 7285
iupac name: 1,2,3-Trichloropropane @en
inchikey: CFXQEHVMCRXUSD-UHFFFAOYSA-N
broader: CHEMONTID_0001516
smiles: C(C(CCl)Cl)Cl
notation: 123TClC3a
inchi: InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
cas number: 96-18-4
type: ChemicalSubstance
type: ChemicalCompound

lithium
type: Concept
cas number: 7439-93-2
broader: CHEMONTID_0000425
pubchem: 3028194
notation: Li
cas number: 64975-42-4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
iupac name: LITHIUM @en
inchi: InChI=1S/Li
formula: Li
cas number: 159577-72-7
smiles: [Li]
inchikey: WHXSMMKQMYFTQS-UHFFFAOYSA-N

chloormefos
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: Clmfs
iupac name: chloromethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
type: Concept
formula: C5H12ClO2PS2
inchikey: QGTYWWGEWOBMAK-UHFFFAOYSA-N
pubchem: 32739
inchi: InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3
type: ChemicalSubstance
smiles: CCOP(=S)(OCC)SCCl
broader: CHEMONTID_0004164
cas number: 24934-91-6

3-chloor-4-methylaniline
broader: CHEMONTID_0003964
type: Concept
smiles: CC1=C(C=C(C=C1)N)Cl
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 7255
inchikey: RQKFYFNZSHWXAW-UHFFFAOYSA-N
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
type: ChemicalSubstance
cas number: 95-74-9
notation: 3Cl4C1yAn

squaleen
inchikey: YYGNTYWPHWGJRM-AAJYLUCBSA-N
type: ChemicalCompound
cas number: 7683-64-9
cas number: 111-02-4
notation: squaln
formula: C30H50
type: ChemicalSubstance
type: Concept
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
cas number: 94016-35-0
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+
pubchem: 638072
broader: CHEMONTID_0001553
in scheme: Conceptschema Chemische Stoffen

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

methylcyclopenteen
notation: C1yccC5e
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-Methylcyclopentene @en
type: ChemicalCompound
smiles: CC1=CCCC1
pubchem: 12746
cas number: 27476-50-2
broader: CHEMONTID_0004622
inchi: InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3
inchikey: ATQUFXWBVZUTKO-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C6H10
cas number: 693-89-0
type: Concept

trichloorethyleen
pubchem: 6575
notation: TClC2e
smiles: C(=C(Cl)Cl)Cl
formula: C2HCl3
inchikey: XSTXAVWGXDQKEL-UHFFFAOYSA-N
broader: CHEMONTID_0002863
cas number: 52037-46-4
cas number: 79-01-6
type: Concept
type: ChemicalCompound
is referenced by: LUC IV 011
iupac name: 1,1,2-trichloroethene @en
is referenced by: LUC IV 002
comment: VLAR II bijl. 4.4.2
alternative label: trichlooretheen
alternative label: trichloorethyleen (tri)
alternative label: trichlooretheen (tri)
type: ChemicalSubstance
comment: VLAR II Art. 5.4.3.1.4
is referenced by: LUC IV 000
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2HCl3/c3-1-2(4)5/h1H

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

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

4-aminoantipyrine
inchikey: RLFWWDJHLFCNIJ-UHFFFAOYSA-N
cas number: 83-07-8
broader: CHEMONTID_0002019
formula: C11H13N3O
notation: 4Aoatprne
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one @en
pubchem: 2151
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
type: ChemicalSubstance

1,4-di-isopropylbenzeen
cas number: 100-18-5
pubchem: 7486
inchi: InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
cas number: 700-18-5
formula: C12H18
broader: CHEMONTID_0000051
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: SPPWGCYEYAMHDT-UHFFFAOYSA-N
type: Concept
iupac name: 1,4-di(propan-2-yl)benzene @en
notation: 14DiC3yeBen
type: ChemicalSubstance
smiles: CC(C)C1=CC=C(C=C1)C(C)C

3-chloor-4-methoxyaniline
smiles: COC1=C(C=C(C=C1)N)Cl
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-Chloro-4-methoxyaniline @en
type: ChemicalCompound
notation: 3Cl4C1oxAn
pubchem: 21441
cas number: 5345-54-0
type: ChemicalSubstance
broader: CHEMONTID_0004670
type: Concept
formula: C7H8ClNO
inchi: InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
inchikey: XQVCBOLNTSUFGD-UHFFFAOYSA-N

d-glucitol, gepropoxyleerd
cas number: 77108-21-5
type: Concept
cas number: 9044-18-2
inchikey: OJZGCEDLMNSDNY-UHFFFAOYSA-N
alternative label: D-glucitol, gepropoxyleerd
cas number: 54538-29-3
cas number: 137331-90-9
formula: C24H50O12
cas number: 9063-27-8
pubchem: 171178
cas number: 55500-89-5
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
cas number: 11119-96-3
cas number: 25776-41-4
cas number: 65455-14-3
cas number: 60454-51-5
in scheme: Conceptschema Chemische Stoffen
iupac name: 3-[1,2,4,5,6-pentakis(3-hydroxypropoxy)hexan-3-yloxy]propan-1-ol @en
broader: CHEMONTID_0001540
type: ChemicalCompound
cas number: 9041-10-5
cas number: 85113-87-7
cas number: 52625-13-5
cas number: 109224-17-1
notation: Dgluctgprop
type: ChemicalSubstance
cas number: 37324-91-7

pyraclofos
broader: CHEMONTID_0002019
notation: pyrcfs
in scheme: Conceptschema Chemische Stoffen
cas number: 77458-01-6
iupac name: 1-(4-chlorophenyl)-4-(ethoxy-propylsulfanylphosphoryl)oxypyrazole @en
type: ChemicalCompound
formula: C14H18ClN2O3PS
type: Concept
pubchem: 93460
cas number: 89784-60-1
type: ChemicalSubstance
inchikey: QHGVXILFMXYDRS-UHFFFAOYSA-N

5-methyl-2-hexanon
type: Concept
type: ChemicalSubstance
iupac name: 5-Methylhexan-2-one @en
type: ChemicalCompound
inchikey: FFWSICBKRCICMR-UHFFFAOYSA-N
pubchem: 8034
notation: 5C1y2C6on
in scheme: Conceptschema Chemische Stoffen
cas number: 110-12-3
broader: CHEMONTID_0000118
formula: C7H14O
smiles: CC(C)CCC(=O)C
inchi: InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3

c.i. acid green 3
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
notation: ciagn3
alternative label: C.I. Acid Green 3
in scheme: Conceptschema Chemische Stoffen
inchikey: XKTMIJODWOEBKO-UHFFFAOYSA-M
broader: CHEMONTID_0004204
pubchem: 20803
formula: C37H35N2NaO6S2
type: Concept
type: ChemicalSubstance
cas number: 260057-95-2
cas number: 4680-78-8
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+]
iupac name: sodium 3-[[ethyl-[4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-1-cyclohexa-2,5-dienylidene]-phenylmethyl]phenyl]amino]methyl]benzenesulfonate @en
type: ChemicalCompound

ijzer
cas number: 8053-60-9
formula: Fe
type: ChemicalCompound
broader: CHEMONTID_0000426
cas number: 39344-71-3
cas number: 129048-51-7
cas number: 70884-35-4
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: Fe
type: ChemicalSubstance
pubchem: 23925
smiles: [Fe]
cas number: 14067-02-8
cas number: 73135-38-3
iupac name: Iron @en
cas number: 7439-89-6
inchikey: XEEYBQQBJWHFJM-UHFFFAOYSA-N
inchi: InChI=1S/Fe
cas number: 195161-83-2
cas number: 199281-22-6
cas number: 8011-79-8

trifenylfosfaat
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 115-86-6
inchikey: XZZNDPSIHUTMOC-UHFFFAOYSA-N
notation: TFyPO4
pubchem: 8289
formula: C18H15O4P
broader: CHEMONTID_0004619
type: ChemicalCompound
cas number: 402955-02-6
type: Concept
iupac name: ['Triphenyl phosphate', 'hydroxy-tris(phenoxy)phosphanium'] @en

dihydrocholesterol
pubchem: 3240
in scheme: Conceptschema Chemische Stoffen
inchikey: QYIXCDOBOSTCEI-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 80-97-7
notation: DHcEsrol
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
formula: C27H48O
broader: CHEMONTID_0001469
type: Concept
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
cas number: 17608-41-2
cas number: 136173-96-1
type: ChemicalSubstance

musk keton
broader: CHEMONTID_0004298
pubchem: 6669
cas number: 81-14-1
type: ChemicalSubstance
smiles: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: muskketn
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
inchikey: WXCMHFPAUCOJIG-UHFFFAOYSA-N
formula: C14H18N2O5

methacrylzuur
formula: C4H6O2
type: Concept
cas number: 115708-68-4
broader: CHEMONTID_0001205
smiles: CC(=C)C(=O)O
cas number: 79-41-4
inchi: InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
pubchem: 4093
inchikey: CERQOIWHTDAKMF-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance
notation: metaczr
cas number: 463311-95-7
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-methylprop-2-enoic acid @en

brodifacum
broader: CHEMONTID_0002044
in scheme: Conceptschema Chemische Stoffen
cas number: 56073-10-0
iupac name: 3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one @en
type: ChemicalSubstance
type: Concept
cas number: 80449-88-3
inchikey: LNDUTAIPEYOCDF-UHFFFAOYSA-N
pubchem: 41736
type: ChemicalCompound
notation: brodfcm
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

benzo(a)fluorantheen
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
broader: CHEMONTID_0000018
formula: C20H12
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
notation: BaF
inchikey: OQDXASJSCOTNQS-UHFFFAOYSA-N
pubchem: 9146
type: ChemicalCompound
type: ChemicalSubstance
cas number: 56832-73-6
cas number: 203-33-8

bendiocarb
notation: benDocb
iupac name: (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate @en
smiles: CC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)C
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
formula: C11H13NO4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000296
inchikey: XEGGRYVFLWGFHI-UHFFFAOYSA-N
pubchem: 2314
cas number: 22781-23-3
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)

tetramethyldiaminobenzofenon
pubchem: 7031
type: ChemicalCompound
iupac name: bis(4-dimethylaminophenyl)methanone @en
type: Concept
cas number: 90-94-8
type: ChemicalSubstance
notation: T4C1aDAobzfn
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
inchikey: VVBLNCFGVYUYGU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C17H20N2O
broader: CHEMONTID_0000120

nonabroomdifenylether
cas number: 139749-52-3
broader: CHEMONTID_0001845
cas number: 66169-95-7
iupac name: 1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene @en
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
cas number: 63936-56-1
cas number: 68928-79-0
cas number: 64589-00-0
type: ChemicalSubstance
type: ChemicalCompound
formula: C12HBr9O
inchikey: CYRHBNRLQMLULE-UHFFFAOYSA-N
pubchem: 45472

cyclohexanol
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
inchikey: HPXRVTGHNJAIIH-UHFFFAOYSA-N
pubchem: 7966
cas number: 108-93-0
smiles: C1CCC(CC1)O
broader: CHEMONTID_0002647
formula: C6H12O
type: Concept
notation: cycC6ol
type: ChemicalSubstance
iupac name: Cyclohexanol @en

fenamidon
inchikey: LMVPQMGRYSRMIW-KRWDZBQOSA-N
type: ChemicalCompound
type: ChemicalSubstance
formula: C17H17N3OS
pubchem: 10403199
in scheme: Conceptschema Chemische Stoffen
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
cas number: 161326-34-7
broader: CHEMONTID_0000060
type: Concept
iupac name: (5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-(phenylamino)imidazol-4-one @en
notation: fenmdn

2,2',4,5'-tetrabroombifenyl
notation: PBB49
type: ChemicalCompound
inchikey: PALAXWMMBSLIDB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003954
iupac name: 1,2,4-tribromo-5-(2-bromophenyl)benzene @en
pubchem: 3017170
cas number: 60044-24-8
smiles: C1=CC=C(C(=C1)C2=CC(=C(C=C2Br)Br)Br)Br
type: Concept
formula: C12H6Br4
type: ChemicalSubstance
inchi: InChI=1S/C12H6Br4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H

nonylfenoloctaethoxylaat
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
type: Concept
formula: C31H56O9
in scheme: Conceptschema Chemische Stoffen
cas number: 41506-14-3
cas number: 27177-05-5
type: ChemicalCompound
notation: NPEO8
type: ChemicalSubstance
broader: CHEMONTID_0003338
inchikey: XXPRRHYTDCWGRP-UHFFFAOYSA-N

1,2-benzisothiazool
formula: C7H5NS
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C2C(=C1)C=NS2
inchikey: CSNIZNHTOVFARY-UHFFFAOYSA-N
inchi: InChI=1S/C7H5NS/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
type: ChemicalCompound
broader: CHEMONTID_0000311
notation: 12Benitazl
cas number: 272-16-2
type: Concept
pubchem: 9225
type: ChemicalSubstance
iupac name: 1,2-benzothiazole @en

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

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

flunitrazepam
type: ChemicalSubstance
notation: fluntzpm
broader: CHEMONTID_0004097
smiles: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F
cas number: 1622-62-4
formula: C16H12FN3O3
type: ChemicalCompound
iupac name: 5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one @en
in scheme: Conceptschema Chemische Stoffen
inchikey: PPTYJKAXVCCBDU-UHFFFAOYSA-N
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
pubchem: 3380
type: Concept

alachloor
smiles: CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl
pubchem: 2078
notation: alCl
formula: C14H20ClNO2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 15972-60-8
inchikey: XCSGPAVHZFQHGE-UHFFFAOYSA-N
iupac name: 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide @en
type: ChemicalCompound
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
alternative label: alachlor
type: Concept
broader: CHEMONTID_0000285

2,3,5-trimethylfenol
broader: CHEMONTID_0001274
type: ChemicalSubstance
type: ChemicalCompound
notation: 235TC1yFol
type: Concept
inchi: InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3
formula: C9H12O
pubchem: 12769
inchikey: OGRAOKJKVGDSFR-UHFFFAOYSA-N
cas number: 697-82-5
smiles: CC1=CC(=C(C(=C1)O)C)C
cas number: 70969-66-3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3,5-Trimethylphenol @en

sulprofos
smiles: CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
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
formula: C12H19O2PS3
in scheme: Conceptschema Chemische Stoffen
iupac name: ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidenephosphorane @en
broader: CHEMONTID_0004742
inchikey: JXHJNEJVUNHLKO-UHFFFAOYSA-N
notation: sulpfs
cas number: 35400-43-2
pubchem: 37125

ipconazole
type: Concept
broader: CHEMONTID_0001565
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
type: ChemicalCompound
iupac name: 2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol @en
in scheme: Conceptschema Chemische Stoffen
alternative label: ipconazool
notation: ipcnzl
formula: C18H24ClN3O
type: ChemicalSubstance
pubchem: 86211
cas number: 125225-28-7
inchikey: QTYCMDBMOLSEAM-UHFFFAOYSA-N

metrafenon
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C19H21BrO5
type: ChemicalCompound
cas number: 220899-03-6
iupac name: (3-bromo-6-methoxy-2-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone @en
inchikey: AMSPWOYQQAWRRM-UHFFFAOYSA-N
notation: metfnn
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
broader: CHEMONTID_0000120
type: ChemicalSubstance
pubchem: 6451057

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

benzo(b)fluoreen
in scheme: Conceptschema Chemische Stoffen
formula: C17H12
type: Concept
type: ChemicalCompound
smiles: C1C2=CC=CC=C2C3=CC4=CC=CC=C4C=C31
broader: CHEMONTID_0000020
iupac name: 11H-Benzo[b]fluorene @en
cas number: 243-17-4
cas number: 30777-19-6
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
type: ChemicalSubstance
pubchem: 9201
notation: BbFle
inchikey: HAPOJKSPCGLOOD-UHFFFAOYSA-N

dihydrostreptomycine
type: ChemicalSubstance
cas number: 128-46-1
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
inchikey: ASXBYYWOLISCLQ-ZCTIVXDHSA-N
formula: C21H41N7O12
notation: DHstreptmcne
type: ChemicalCompound
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
type: Concept
pubchem: 6602480
broader: CHEMONTID_0001675
in scheme: Conceptschema Chemische Stoffen

paraquat
type: Concept
broader: CHEMONTID_0000326
type: ChemicalSubstance
notation: parqt
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
smiles: C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 15939
type: ChemicalCompound
formula: C12H14N2+2
cas number: 4685-14-7
inchikey: INFDPOAKFNIJBF-UHFFFAOYSA-N
iupac name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium @en
cas number: 116047-10-0

di-n-butylether
iupac name: 1-Butoxybutane @en
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'dibutylether'
pubchem: 8909
is referenced by: LUC IV 008
inchikey: DURPTKYDGMDSBL-UHFFFAOYSA-N
type: ChemicalSubstance
is referenced by: LUC IV 011
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0001167
cas number: 142-96-1
formula: C8H18O
smiles: CCCCOCCCC
is referenced by: LUC IV 000
inchi: InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3

emamectin-benzoaat
inchikey: GCKZANITAMOIAR-XWVCPFKXSA-N
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
notation: emmtbzat
type: ChemicalCompound
type: ChemicalSubstance
formula: C56H81NO15
broader: CHEMONTID_0000282
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
cas number: 155569-91-8
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 11650986

demeton-S
cas number: 126-75-0
notation: demtnS
pubchem: 24723
inchikey: GRPRVIYRYGLIJU-UHFFFAOYSA-N
alternative label: demeton-s
type: Concept
type: ChemicalSubstance
smiles: CCOP(=O)(OCC)SCCSCC
formula: C8H19O3PS2
broader: CHEMONTID_0001438
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
type: ChemicalCompound

carboxymethylcellulose
type: ChemicalCompound
cas number: 204336-41-4
type: ChemicalSubstance
type: Concept
cas number: 191616-54-3
alternative label: carboxymethylcellulose (CMC)
cas number: 196886-89-2
broader: CHEMONTID_0001498
cas number: 9000-11-7
inchikey: VJHCJDRQFCCTHL-UHFFFAOYSA-N
smiles: CC(=O)O.C(C(C(C(C(C=O)O)O)O)O)O
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)
notation: CMC
pubchem: 24748
cas number: 177317-30-5
in scheme: Conceptschema Chemische Stoffen
iupac name: acetic acid; 2,3,4,5,6-pentahydroxyhexanal @en
formula: C8H16O8

2-butaanthiol
cas number: 513-53-1
iupac name: butane-2-thiol @en
smiles: CCC(C)S
pubchem: 10560
type: Concept
inchikey: LOCHFZBWPCLPAN-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 91840-99-2
inchi: InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
formula: C4H10S
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001212
notation: 2C4atol
type: ChemicalCompound

1-methyldodecylbenzeen
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 20636
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
inchikey: FCXPVFLEDIQLLO-UHFFFAOYSA-N
smiles: CCCCCCCCCCCC(C)C1=CC=CC=C1
type: ChemicalCompound
notation: 1C1yC12yBen
cas number: 4534-53-6
iupac name: tridecan-2-ylbenzene @en
type: ChemicalSubstance
broader: CHEMONTID_0002279
formula: C19H32

dichloor(methylsulfonyl)methaan
iupac name: dichloromethylsulfonylmethane @en
inchi: InChI=1S/C2H4Cl2O2S/c1-7(5,6)2(3)4/h2H,1H3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 101258
broader: CHEMONTID_0000505
formula: C2H4Cl2O2S
type: ChemicalSubstance
inchikey: QMMFBGBMARGVFC-UHFFFAOYSA-N
notation: DClC1ysfnC1a
smiles: CS(=O)(=O)C(Cl)Cl
cas number: 37557-96-3

propylacetaat
iupac name: Propyl acetate @en
cas number: 109-60-4
notation: C3yactt
inchi: InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
inchikey: YKYONYBAUNKHLG-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound
smiles: CCCOC(=O)C
in scheme: Conceptschema Chemische Stoffen
pubchem: 7997
broader: CHEMONTID_0001238
type: ChemicalSubstance
formula: C5H10O2

metabenzthiazuron
type: ChemicalCompound
smiles: CNC(=O)N(C)C1=NC2=CC=CC=C2S1
type: ChemicalSubstance
alternative label: methabenzthiazuron
type: Concept
formula: C10H11N3OS
in scheme: Conceptschema Chemische Stoffen
cas number: 18691-97-9
notation: metbtazrn
inchikey: RRVIAQKBTUQODI-UHFFFAOYSA-N
broader: CHEMONTID_0000311
iupac name: 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea @en
pubchem: 29216
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)

naptalam
cas number: 132-66-1
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)
type: Concept
type: ChemicalCompound
notation: naptlm
in scheme: Conceptschema Chemische Stoffen
formula: C18H13NO3
broader: CHEMONTID_0000023
inchikey: JXTHEWSKYLZVJC-UHFFFAOYSA-N
pubchem: 8594
iupac name: 2-(naphthalen-1-ylcarbamoyl)benzoic acid @en
type: ChemicalSubstance

ethyl dimethylcarbamaat
smiles: CCOC(=O)N(C)C
broader: CHEMONTID_0001162
notation: C2yDC1ycbmt
in scheme: Conceptschema Chemische Stoffen
pubchem: 12709
iupac name: Ethyl N,N-dimethylcarbamate @en
inchikey: SUDHEDJJFGYYPL-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound
formula: C5H11NO2
cas number: 687-48-9
type: ChemicalSubstance
inchi: InChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3

maneb
cas number: 301-03-1
notation: manb
smiles: C(CN=C(S)[S-])N=C(S)[S-].[Mn+2]
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C4H6MnN2S4
inchikey: YKSNLCVSTHTHJA-UHFFFAOYSA-L
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
cas number: 12427-38-2
broader: CHEMONTID_0004177
type: Concept
cas number: 11004-49-2
type: ChemicalSubstance
pubchem: 25553
cas number: 28355-56-8
cas number: 12125-33-6
cas number: 20316-06-7
iupac name: manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate @en

2-methylnaftaleen
inchi: InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 7055
type: ChemicalSubstance
notation: 2C1yNaf
broader: CHEMONTID_0000023
type: Concept
inchikey: QIMMUPPBPVKWKM-UHFFFAOYSA-N
smiles: CC1=CC2=CC=CC=C2C=C1
cas number: 7419-61-6
cas number: 91-57-6
iupac name: 2-Methylnaphthalene @en
type: ChemicalCompound
formula: C11H10

pinoxaden
inchikey: MGOHCFMYLBAPRN-UHFFFAOYSA-N
notation: pinadn
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
type: ChemicalCompound
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
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C23H32N2O4
cas number: 243973-20-8
broader: CHEMONTID_0002019
type: ChemicalSubstance

avermectin B1a
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
type: Concept
inchikey: RRZXIRBKKLTSOM-XPNPUAGNSA-N
formula: C48H72O14
broader: CHEMONTID_0000147
type: ChemicalSubstance
notation: acmtnB1a
in scheme: Conceptschema Chemische Stoffen
cas number: 65195-55-3
pubchem: 6434889
type: ChemicalCompound
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
alternative label: avermectin b1a

proclonol
type: ChemicalSubstance
pubchem: 26450
broader: CHEMONTID_0000369
iupac name: bis(4-chlorophenyl)-cyclopropylmethanol @en
type: ChemicalCompound
inchikey: BKAYSPSVVJBHHK-UHFFFAOYSA-N
formula: C16H14Cl2O
in scheme: Conceptschema Chemische Stoffen
cas number: 14088-71-2
notation: proclnl
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
type: Concept

methylformiaat
pubchem: 7865
formula: C2H4O2
alternative label: methylformaat
smiles: COC=O
type: ChemicalSubstance
notation: C1yfmt
broader: CHEMONTID_0001238
type: Concept
iupac name: METHYL FORMATE @en
cas number: 107-31-3
inchikey: TZIHFWKZFHZASV-UHFFFAOYSA-N
inchi: InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
comment: VLAREM II bijlage 4.4.2

octadecanamide
type: Concept
cas number: 37189-35-8
in scheme: Conceptschema Chemische Stoffen
notation: C18aAd
type: ChemicalSubstance
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)
smiles: CCCCCCCCCCCCCCCCCC(=O)N
broader: CHEMONTID_0002484
inchikey: LYRFLYHAGKPMFH-UHFFFAOYSA-N
pubchem: 31292
cas number: 124-26-5
type: ChemicalCompound
formula: C18H37NO
iupac name: Octadecanamide @en

dimethenamide
broader: CHEMONTID_0004144
alternative label: dimethenamid
smiles: CC1=CSC(=C1N(C(C)COC)C(=O)CCl)C
type: ChemicalCompound
iupac name: 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide @en
formula: C12H18ClNO2S
cas number: 87674-68-8
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
pubchem: 91744
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: DmtAd
inchikey: JLYFCTQDENRSOL-UHFFFAOYSA-N
type: ChemicalSubstance

tamoxifen
iupac name: 2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine @en
inchikey: NKANXQFJJICGDU-QPLCGJKRSA-N
pubchem: 2733526
broader: CHEMONTID_0000253
formula: C26H29NO
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 10540-29-1
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-
type: ChemicalSubstance
notation: tamxfn
type: ChemicalCompound

esfenvaleraat
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
smiles: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
in scheme: Conceptschema Chemische Stoffen
formula: C25H22ClNO3
inchikey: NYPJDWWKZLNGGM-BJKOFHAPSA-N
cas number: 67890-40-8
type: ChemicalSubstance
type: ChemicalCompound
iupac name: [(R)-cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate @en
cas number: 66230-04-4
pubchem: 5361514
broader: CHEMONTID_0001461
type: Concept
notation: esfvlrt
cas number: 72650-28-3

malathion
type: ChemicalSubstance
inchikey: JXSJBGJIGXNWCI-UHFFFAOYSA-N
type: Concept
cas number: 11096-67-6
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
type: ChemicalCompound
notation: malton
pubchem: 4004
in scheme: Conceptschema Chemische Stoffen
formula: C10H19O6PS2
cas number: 121-75-5
smiles: CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
broader: CHEMONTID_0000324
iupac name: diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate @en

1,2-dichloor-1,2-difluorethaan
pubchem: 33241
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK132
type: ChemicalSubstance
smiles: C(C(F)Cl)(F)Cl
formula: C2H2Cl2F2
cas number: 431-06-1
type: Concept
type: ChemicalCompound
iupac name: 1,2-Dichloro-1,2-difluoroethane @en
inchi: InChI=1S/C2H2Cl2F2/c3-1(5)2(4)6/h1-2H
inchikey: IDSKMUOSMAUASS-UHFFFAOYSA-N

3-isopropylfenol
inchi: InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3
cas number: 618-45-1
type: Concept
cas number: 90480-88-9
iupac name: 3-propan-2-ylphenol @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: VLJSLTNSFSOYQR-UHFFFAOYSA-N
smiles: CC(C)C1=CC(=CC=C1)O
notation: 3iC3yFol
pubchem: 12059
formula: C9H12O
type: ChemicalCompound
broader: CHEMONTID_0000355

2-ethylhexylacrylaat
in scheme: Conceptschema Chemische Stoffen
notation: 2C2yC6yaclt
cas number: 1322-13-0
smiles: CCCCC(CC)COC(=O)C=C
pubchem: 7636
cas number: 78733-32-1
formula: C11H20O2
cas number: 93460-77-6
type: ChemicalCompound
cas number: 126830-03-3
type: Concept
broader: CHEMONTID_0004452
type: ChemicalSubstance
cas number: 9003-77-4
inchikey: GOXQRTZXKQZDDN-UHFFFAOYSA-N
iupac name: 2-ethylhexyl prop-2-enoate @en
cas number: 84948-57-2
cas number: 126830-02-2
cas number: 103-11-7
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

6:2 fluortelomeerfosfaat diester
pubchem: 14550408
formula: C16H9F26O4P
notation: 6:2 diPAP
type: Concept
broader: CHEMONTID_0003459
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 57677-95-9
inchikey: ZDYYWMSLMLTXDM-UHFFFAOYSA-N
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

methylnaftylaceetamide
type: Concept
type: ChemicalCompound
formula: C13H13NO
type: ChemicalSubstance
notation: C1yntacAd
broader: CHEMONTID_0000023
smiles: CC1=C(C2=CC=CC=C2C=C1)CC(=O)N
inchikey: AFOVBPMGZPJPKX-UHFFFAOYSA-N
pubchem: 66550
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)
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-(2-methylnaphthalen-1-yl)acetamide @en
cas number: 85-07-4

ethylacetaat
is referenced by: LUC IV 012
is referenced by: LUC IV 000
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
iupac name: Ethyl acetate @en
is referenced by: LUC IV 004
comment: VLAR II bijl. 4.4.2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 8857
broader: CHEMONTID_0001238
cas number: 141-78-6
inchikey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
formula: C4H8O2
notation: C2yactt
smiles: CCOC(=O)C

2,2'-dichloorbenzidine
iupac name: 4-(4-amino-2-chlorophenyl)-3-chloroaniline @en
type: Concept
alternative label: 2,2’-dichloorbenzidine
formula: C12H10Cl2N2
smiles: C1=CC(=C(C=C1N)Cl)C2=C(C=C(C=C2)N)Cl
broader: CHEMONTID_0003955
notation: 22DClbzdne
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 84-68-4
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
pubchem: 66538
inchikey: XKXPBJBODVHDAW-UHFFFAOYSA-N

1,2-dimethoxypropaan
inchi: InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
type: Concept
inchikey: LEEANUDEDHYDTG-UHFFFAOYSA-N
formula: C5H12O2
notation: 12DC1oxC3a
broader: CHEMONTID_0001167
smiles: CC(COC)OC
pubchem: 24509
type: ChemicalCompound
type: ChemicalSubstance
cas number: 7778-85-0
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2-DIMETHOXYPROPANE @en

daminozide
cas number: 1596-84-5
type: Concept
type: ChemicalSubstance
notation: damnzde
broader: CHEMONTID_0000333
cas number: 1861-26-3
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)NC(=O)CCC(=O)O
formula: C6H12N2O3
cas number: 74913-15-8
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)
pubchem: 15331
type: ChemicalCompound
iupac name: 4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid @en
inchikey: NOQGZXFMHARMLW-UHFFFAOYSA-N

2,6-dichloor-4-nitroaniline
pubchem: 7430
notation: 26DCl4NO2An
broader: CHEMONTID_0000036
iupac name: 2,6-Dichloro-4-nitroaniline @en
cas number: 58916-70-4
in scheme: Conceptschema Chemische Stoffen
cas number: 99-30-9
smiles: C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
formula: C6H4Cl2N2O2
inchikey: BIXZHMJUSMUDOQ-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
inchi: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
type: ChemicalCompound

thiocyanaten
cas number: 37223-05-5
cas number: 60168-45-8
cas number: 1111-68-8
inchikey: ZMZDMBWJUHKJPS-UHFFFAOYSA-M
cas number: 60773-55-9
cas number: 71048-69-6
inchi: InChI=1S/CHNS/c2-1-3/h3H/p-1
type: ChemicalSubstance
pubchem: 9322
cas number: 302-04-5
type: Concept
iupac name: thiocyanate @en
smiles: C(#N)[S-]
formula: CNS-
in scheme: Conceptschema Chemische Stoffen
cas number: 70874-95-2
cas number: 81210-01-7
broader: CHEMONTID_0001201
cas number: 62476-95-3
cas number: 69924-38-5
type: ChemicalCompound

C.I. Vat Yellow 4
broader: CHEMONTID_0000316
pubchem: 31412
cas number: 39280-74-5
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
cas number: 115685-46-6
alternative label: c.i. vat yellow 4
type: ChemicalCompound
cas number: 128-66-5
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: ZTWQZJLUUZHJGS-UHFFFAOYSA-N
formula: C24H12O2
cas number: 12772-52-0
notation: civyw4
type: Concept

1,2-dichloor-1,1,3,3,3-pentafluorpropaan
formula: C3HCl2F5
pubchem: 61115
notation: HCFK225da
in scheme: Conceptschema Chemische Stoffen
cas number: 431-86-7
inchikey: XAHBEACGJQDUPF-UHFFFAOYSA-N
inchi: InChI=1S/C3HCl2F5/c4-1(2(5,6)7)3(8,9)10/h1H
type: Concept
type: ChemicalSubstance
broader: CHEMONTID_0001517
iupac name: 1,2-DICHLORO-1,1,3,3,3-PENTAFLUOROPROPANE @en
smiles: C(C(F)(F)F)(C(F)(F)Cl)Cl
type: ChemicalCompound

cycloaat
inchi: InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
type: ChemicalCompound
cas number: 1134-23-2
in scheme: Conceptschema Chemische Stoffen
formula: C11H21NOS
inchikey: DFCAFRGABIXSDS-UHFFFAOYSA-N
type: Concept
cas number: 71330-39-7
type: ChemicalSubstance
smiles: CCN(C1CCCCC1)C(=O)SCC
pubchem: 14337
notation: cycat
broader: CHEMONTID_0001368
iupac name: S-ethyl (cyclohexyl-ethylamino)methanethioate @en

mendelevium
type: ChemicalSubstance
pubchem: 23943
broader: CHEMONTID_0000430
inchi: InChI=1S/Md
inchikey: MQVSLOYRCXQRPM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: Md
smiles: [Md]
type: Concept
notation: Md
iupac name: MENDELEVIUM @en
type: ChemicalCompound
cas number: 7440-11-1

triflumizool
notation: Tfmzl
pubchem: 91699
type: ChemicalCompound
iupac name: N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 99387-89-0
inchikey: HSMVPDGQOIQYSR-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 68694-11-1
broader: CHEMONTID_0004551
formula: C15H15ClF3N3O

chloorthiofos
iupac name: (3,4-dichloro-5-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane @en
formula: C11H15Cl2O3PS2
type: ChemicalSubstance
inchikey: SBLPWPLKGFWLKK-UHFFFAOYSA-N
type: Concept
smiles: CCOP(=S)(OCC)OC1=CC(=C(C(=C1)Cl)Cl)SC
type: ChemicalCompound
notation: cltofs
cas number: 60238-56-4
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004748
pubchem: 43239

domperidon
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 57808-66-9
pubchem: 3151
iupac name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one @en
type: ChemicalSubstance
inchikey: FGXWKSZFVQUSTL-UHFFFAOYSA-N
type: Concept
broader: CHEMONTID_0000294
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)

2-broom-1,4-dimethylbenzeen
type: ChemicalSubstance
cas number: 553-94-6
iupac name: 2-Bromo-1,4-dimethylbenzene @en
inchi: InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
pubchem: 11121
broader: CHEMONTID_0004211
type: Concept
notation: 2Br14DC1yBen
smiles: CC1=CC(=C(C=C1)C)Br
in scheme: Conceptschema Chemische Stoffen
inchikey: QXISTPDUYKNPLU-UHFFFAOYSA-N
formula: C8H9Br
type: ChemicalCompound

menthol
inchikey: NOOLISFMXDJSKH-KXUCPTDWSA-N
type: ChemicalSubstance
type: ChemicalCompound
notation: mentl
in scheme: Conceptschema Chemische Stoffen
formula: C10H20O
cas number: 2216-51-5
pubchem: 16666
cas number: 89-78-1
smiles: CC1CCC(C(C1)O)C(C)C
cas number: 98167-53-4
broader: CHEMONTID_0001401
type: Concept
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

ethylcrotonaat
type: Concept
notation: C2yctnt
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 5354263
inchikey: ZFDIRQKJPRINOQ-HYXAFXHYSA-N
broader: CHEMONTID_0000324
formula: C6H10O2
cas number: 10544-63-5
smiles: CCOC(=O)C=CC
in scheme: Conceptschema Chemische Stoffen
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

natriumchloraat
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 24487
notation: NaClO3
cas number: 7775-09-9
formula: ClNaO3
cas number: 11096-45-0
inchi: InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
inchikey: YZHUMGUJCQRKBT-UHFFFAOYSA-M
smiles: [O-]Cl(=O)=O.[Na+]
cas number: 9011-70-5
type: ChemicalSubstance
iupac name: Sodium chlorate @en
cas number: 38869-73-7
type: Concept
cas number: 38869-74-8
broader: CHEMONTID_0000632

cyclamaat
notation: cycmt
iupac name: Cyclohexylsulfamic acid @en
type: ChemicalSubstance
broader: CHEMONTID_0000365
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: C1CCC(CC1)NS(=O)(=O)O
formula: C6H13NO3S
cas number: 45951-45-9
inchikey: HCAJEUSONLESMK-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
cas number: 100-88-9
pubchem: 7533

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

1,4-diethoxybenzeen
notation: 14DC2oxBen
pubchem: 67150
iupac name: 1,4-Diethoxybenzene @en
broader: CHEMONTID_0002341
smiles: CCOC1=CC=C(C=C1)OCC
inchikey: VWGNFIQXBYRDCH-UHFFFAOYSA-N
inchi: InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3
cas number: 122-95-2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
formula: C10H14O2

fenthion
iupac name: dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidenephosphorane @en
type: ChemicalCompound
inchikey: PNVJTZOFSHSLTO-UHFFFAOYSA-N
cas number: 55-38-9
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0004748
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
formula: C10H15O3PS2
pubchem: 3346
smiles: CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC
notation: fenton

N-(carboxymethyl)-N,N-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide
inchikey: OKOCIUJVPQKDLL-UHFFFAOYSA-N
alternative label: n-(carboxymethyl)-n,n-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide
formula: C15H19F13N2O4S
type: ChemicalSubstance
cas number: 34455-29-3
broader: CHEMONTID_0002404
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: Capstone B (CDPOS)
type: Concept
pubchem: 118691

bis(2-chloorethyl)ethenylfosfonaat
inchi: InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2
formula: C6H11Cl2O3P
in scheme: Conceptschema Chemische Stoffen
cas number: 115-98-0
pubchem: 8296
cas number: 122681-86-1
type: ChemicalCompound
inchikey: LHHMNJZNWUJFOC-UHFFFAOYSA-N
iupac name: 1-[bis(2-chloroethoxy)phosphoryl]ethene @en
notation: bis2ClC2yetn
smiles: C=CP(=O)(OCCCl)OCCCl
type: Concept
broader: CHEMONTID_0003893
cas number: 53569-58-7
type: ChemicalSubstance

octamethylcyclotetrasiloxaan
iupac name: 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane @en
inchi: InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3
cas number: 104986-37-0
pubchem: 11169
inchikey: HMMGMWAXVFQUOA-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 83874-62-8
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 556-67-2
notation: OcC1yccT4slx
type: Concept
broader: CHEMONTID_0004445
formula: C8H24O4Si4

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

fenhexamide
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)
cas number: 126833-17-8
type: Concept
type: ChemicalSubstance
smiles: CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl
notation: fenhxAd
broader: CHEMONTID_0000285
pubchem: 213031
iupac name: N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: VDLGAVXLJYLFDH-UHFFFAOYSA-N
formula: C14H17Cl2NO2

oxfendazole
in scheme: Conceptschema Chemische Stoffen
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)
type: Concept
notation: oxfdzle
iupac name: methyl N-(6-phenylsulfinyl-1H-benzimidazol-2-yl)carbamate @en
type: ChemicalSubstance
broader: CHEMONTID_0000294
cas number: 53716-50-0
type: ChemicalCompound
pubchem: 40854
inchikey: BEZZFPOZAYTVHN-UHFFFAOYSA-N
formula: C15H13N3O3S

halfenprox
pubchem: 10140464
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
cas number: 111872-58-3
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
formula: C24H23BrF2O3
type: ChemicalSubstance
type: Concept
iupac name: 1-(bromo-difluoromethoxy)-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene @en
notation: halepx
inchikey: WIFXJBMOTMKRMM-UHFFFAOYSA-N
type: ChemicalCompound

2-methylhexaanzuur
type: ChemicalSubstance
pubchem: 6999857
notation: 2C1yC6azr
broader: CHEMONTID_0003086
formula: C7H13O2-
cas number: 4536-23-6
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
type: ChemicalCompound
iupac name: (2R)-2-methylhexanoate @en
smiles: CCCCC(C)C(=O)[O-]
in scheme: Conceptschema Chemische Stoffen
inchikey: CVKMFSAVYPAZTQ-ZCFIWIBFSA-M
type: Concept

cinnarizine
inchikey: DERZBLKQOCDDDZ-JLHYYAGUSA-N
type: ChemicalCompound
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+
broader: CHEMONTID_0000369
cas number: 16699-20-0
type: Concept
pubchem: 1547484
type: ChemicalSubstance
cas number: 298-57-7
in scheme: Conceptschema Chemische Stoffen
iupac name: ['1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine', '1-[di(phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine'] @en
formula: C26H28N2

tecnazeen
formula: C6HCl4NO2
type: Concept
iupac name: 1,2,4,5-Tetrachloro-3-nitrobenzene @en
alternative label: 2,3,5,6-tetrachloornitrobenzeen
inchikey: XQTLDIFVVHJORV-UHFFFAOYSA-N
cas number: 28804-67-3
broader: CHEMONTID_0000036
inchi: InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
smiles: C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl
pubchem: 8330
type: ChemicalCompound
cas number: 117-18-0
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: tecnzn

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

trifloxystrobin
cas number: 221007-60-9
pubchem: 9578570
inchikey: ONCZDRURRATYFI-QTCHDTBASA-N
type: Concept
notation: Tfxsbn
broader: CHEMONTID_0004551
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C20H19F3N2O4
type: ChemicalSubstance
cas number: 141517-21-7
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
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-

carbamazepine 10,11-epoxide
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)
formula: C15H12N2O2
inchikey: ZRWWEEVEIOGMMT-UHFFFAOYSA-N
type: Concept
pubchem: 2555
notation: carbmzpn1011
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0000320
type: ChemicalSubstance
type: ChemicalCompound
cas number: 36507-30-9

dikegulac
cas number: 28300-95-0
notation: Dikglc
type: ChemicalCompound
cas number: 49813-52-7
cas number: 136881-53-3
cas number: 131400-21-0
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)
cas number: 64040-42-2
in scheme: Conceptschema Chemische Stoffen
cas number: 59795-40-3
cas number: 129607-69-8
broader: CHEMONTID_0004472
inchikey: FWCBATIDXGJRMF-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
formula: C12H18O7
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
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
cas number: 72349-14-5

chloorthiofos I
cas number: 21923-23-9
cas number: 51052-59-6
type: Concept
pubchem: 30859
alternative label: chloorthiofos i
in scheme: Conceptschema Chemische Stoffen
notation: CltofsI
broader: CHEMONTID_0004748
type: ChemicalCompound
iupac name: (2,5-dichloro-4-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane @en
inchikey: JAZJVWLGNLCNDD-UHFFFAOYSA-N
formula: C11H15Cl2O3PS2
type: ChemicalSubstance
smiles: CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)SC)Cl

3,3',4,4',5,5'-hexabroombifenyl
type: Concept
pubchem: 104942
iupac name: 1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene @en
notation: PBB169
formula: C12H4Br6
in scheme: Conceptschema Chemische Stoffen
cas number: 60044-26-0
type: ChemicalCompound
inchikey: UXOOFXUEODCAIP-UHFFFAOYSA-N
broader: CHEMONTID_0003954
type: ChemicalSubstance
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

osmium
type: ChemicalCompound
formula: Os
inchi: InChI=1S/Os
broader: CHEMONTID_0000426
inchikey: SYQBFIAQOQZEGI-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 23937
cas number: 7440-04-2
type: Concept
smiles: [Os]
notation: Os
iupac name: OSMIUM @en

ethyleenglycoldinitraat (egdn)
type: ChemicalCompound
broader: CHEMONTID_0004091
inchikey: UQXKXGWGFRWILX-UHFFFAOYSA-N
inchi: InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2
iupac name: 2-nitrooxyethyl nitrate @en
formula: C2H4N2O6
alternative label: ethyleenglycoldinitraat (EGDN)
pubchem: 40818
cas number: 121749-11-9
type: Concept
smiles: C(CO[N+](=O)[O-])O[N+](=O)[O-]
notation: C2yegcDNO3
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 628-96-6

isoxaflutool
broader: CHEMONTID_0004297
iupac name: (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone @en
pubchem: 84098
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C15H12F3NO4S
type: Concept
type: ChemicalCompound
cas number: 141112-29-0
inchikey: OYIKARCXOQLFHF-UHFFFAOYSA-N
notation: iOaftl

azelastine
pubchem: 54360
iupac name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one hydrochloride @en
inchikey: YEJAJYAHJQIWNU-UHFFFAOYSA-N
formula: C22H25Cl2N3O
type: Concept
cas number: 79307-93-0
cas number: 37932-96-0
cas number: 58581-89-8
type: ChemicalSubstance
broader: CHEMONTID_0000209
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
notation: azltne
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

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

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

1-chloorbutaan
inchikey: VFWCMGCRMGJXDK-UHFFFAOYSA-N
inchi: InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
broader: CHEMONTID_0001516
type: Concept
type: ChemicalSubstance
formula: C4H9Cl
pubchem: 8005
iupac name: 1-Chlorobutane @en
smiles: CCCCCl
type: ChemicalCompound
notation: 1ClC4a
in scheme: Conceptschema Chemische Stoffen
cas number: 109-69-3

americium 241
in scheme: Conceptschema Chemische Stoffen
iupac name: americium-241 @en
notation: Am241
smiles: [Am]
cas number: 14596-10-2
inchi: InChI=1S/Am/i1-2
cas number: 86954-36-1
inchikey: LXQXZNRPTYVCNG-YPZZEJLDSA-N
type: ChemicalCompound
formula: Am
type: ChemicalSubstance
pubchem: 104726
type: Concept
broader: CHEMONTID_0000430

1-ethylideenindeen
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
notation: 1C2yididn
broader: CHEMONTID_0000021
in scheme: Conceptschema Chemische Stoffen
inchikey: DNWJJJOJBSVOEL-UHFFFAOYSA-N
pubchem: 17183
cas number: 2471-83-2
type: ChemicalSubstance
smiles: C=CC1C=CC2=CC=CC=C12
type: ChemicalCompound
type: Concept
formula: C11H10

4-ethyltolueen
iupac name: 1-Ethyl-4-methylbenzene @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 12160
cas number: 622-96-8
type: ChemicalCompound
notation: 4C2yTol
broader: CHEMONTID_0001091
smiles: CCC1=CC=C(C=C1)C
formula: C9H12
type: Concept
inchi: InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
inchikey: JRLPEMVDPFPYPJ-UHFFFAOYSA-N

di-(2-butoxyethyl)ftalaat
notation: D2C4oxC2yFt
type: Concept
type: ChemicalSubstance
smiles: CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC
formula: C20H30O6
cas number: 117-83-9
pubchem: 8345
iupac name: bis(2-butoxyethyl) benzene-1,2-dicarboxylate @en
inchikey: CMCJNODIWQEOAI-UHFFFAOYSA-N
broader: CHEMONTID_0001350
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

1-chloor-1,1-difluorethaan
type: ChemicalSubstance
smiles: CC(F)(F)Cl
iupac name: 1-Chloro-1,1-difluoroethane @en
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
notation: HCFK142b
formula: C2H3ClF2
inchi: InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3
type: ChemicalCompound
type: Concept
cas number: 65762-25-6
cas number: 75-68-3
inchikey: BHNZEZWIUMJCGF-UHFFFAOYSA-N
pubchem: 6388

risperidone
cas number: 106266-06-2
inchikey: RAPZEAPATHNIPO-UHFFFAOYSA-N
broader: CHEMONTID_0001859
pubchem: 5073
type: Concept
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: risprdne
type: ChemicalSubstance
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
formula: C23H27FN4O2

4-ethyl-1-octyn-3-ol
broader: CHEMONTID_0001334
iupac name: 4-Ethyloct-1-yn-3-ol @en
inchikey: CUUQUEAUUPYEKK-UHFFFAOYSA-N
type: Concept
cas number: 5877-42-9
inchi: InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3
type: ChemicalCompound
type: ChemicalSubstance
notation: 4C2y1ot3ol
in scheme: Conceptschema Chemische Stoffen
pubchem: 93012
smiles: CCCCC(CC)C(C#C)O
formula: C10H18O

5-chloor-2-nitroaniline
pubchem: 74218
type: ChemicalCompound
inchikey: ZCWXYZBQDNFULS-UHFFFAOYSA-N
inchi: InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
notation: 5Cl2NO2An
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
cas number: 1635-61-6
type: Concept
formula: C6H5ClN2O2
iupac name: 5-Chloro-2-nitroaniline @en
smiles: C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]
type: ChemicalSubstance

boscalid
type: ChemicalCompound
iupac name: 2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide @en
cas number: 188425-85-6
formula: C18H12Cl2N2O
notation: boscld
broader: CHEMONTID_0004712
inchikey: WYEMLYFITZORAB-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 213013
in scheme: Conceptschema Chemische Stoffen
type: Concept
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)

koolstofdisulfide
comment: VLAR II Art. 5.7.14.1
iupac name: methanedithione @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: QGJOPFRUJISHPQ-UHFFFAOYSA-N
type: ChemicalCompound
notation: CS2
smiles: C(=S)=S
pubchem: 6348
cas number: 355120-85-3
broader: CHEMONTID_0000555
cas number: 75-15-0
comment: VLAREM II bijlage 4.4.2 'zwavelkoolstof'
cas number: 12539-80-9
formula: CS2
inchi: InChI=1S/CS2/c2-1-3
type: ChemicalSubstance

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

cis-1-chloor-1-propeen
iupac name: (Z)-1-chloroprop-1-ene @en
formula: C3H5Cl
broader: CHEMONTID_0002863
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 5326315
inchi: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2-
notation: c1Cl1C3e
cas number: 590-21-6
in scheme: Conceptschema Chemische Stoffen
inchikey: OWXJKYNZGFSVRC-IHWYPQMZSA-N
cas number: 16136-84-8
smiles: CC=CCl
type: Concept

c8-c18-alkylbenzyldimethylammoniumchloride
alternative label: C8-C18-alkylbenzyldimethylammoniumchloride
smiles: CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
iupac name: benzyl-decyl-dimethylazanium chloride @en
pubchem: 13762
broader: CHEMONTID_0003977
type: ChemicalSubstance
type: Concept
notation: C8C18akbzDC1
cas number: 965-32-2
cas number: 63449-41-2
formula: C19H34ClN
notation: benzDC1yC10y
in scheme: Conceptschema Chemische Stoffen
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
alternative label: benzyldimethyldecylammoniumchloride
type: ChemicalCompound
inchikey: TTZLKXKJIMOHHG-UHFFFAOYSA-M

plutonium 237
inchikey: OYEHPCDNVJXUIW-NOHWODKXSA-N
pubchem: 105138
smiles: [Pu]
notation: Pu237
formula: Pu
inchi: InChI=1S/Pu/i1-7
iupac name: plutonium-237 @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000430
type: Concept
type: ChemicalCompound
cas number: 15411-93-5

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

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

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

molybdeen
smiles: [Mo]
broader: CHEMONTID_0000426
cas number: 7439-98-7
type: Concept
formula: Mo
inchikey: ZOKXTWBITQBERF-UHFFFAOYSA-N
cas number: 22541-84-0
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: Molybdenum @en
pubchem: 23932
type: ChemicalCompound
notation: Mo
cas number: 16065-87-5
inchi: InChI=1S/Mo

2-methyl-benzaldehyde
broader: CHEMONTID_0000321
pubchem: 10722
inchikey: BTFQKIATRPGRBS-UHFFFAOYSA-N
iupac name: 2-Methylbenzaldehyde @en
type: ChemicalSubstance
notation: 2C1yBenAh
cas number: 529-20-4
type: ChemicalCompound
formula: C8H8O
smiles: CC1=CC=CC=C1C=O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
type: Concept

2-amino-4-chloorfenol
inchikey: SWFNPENEBHAHEB-UHFFFAOYSA-N
cas number: 95-85-2
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002772
smiles: C1=CC(=C(C=C1Cl)N)O
notation: 2Ao4ClFol
inchi: InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
formula: C6H6ClNO
iupac name: 2-Amino-4-chlorophenol @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 7265

chloortrifluormethaan
broader: CHEMONTID_0004521
cas number: 75-72-9
inchi: InChI=1S/CClF3/c2-1(3,4)5
formula: CClF3
iupac name: chloro-trifluoromethane @en
pubchem: 6392
in scheme: Conceptschema Chemische Stoffen
inchikey: AFYPFACVUDMOHA-UHFFFAOYSA-N
smiles: C(F)(F)(F)Cl
notation: CFK13
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 185009-43-2

triasulfuron
type: ChemicalSubstance
formula: C14H16ClN5O5S
pubchem: 73282
in scheme: Conceptschema Chemische Stoffen
cas number: 135100-29-7
iupac name: 1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea @en
cas number: 82097-50-5
notation: Tasfrn
inchikey: XOPFESVZMSQIKC-UHFFFAOYSA-N
type: Concept
broader: CHEMONTID_0000031
type: ChemicalCompound

cis-8,11,14-eicosatrieenzuur
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid @en
inchikey: HOBAELRKJCKHQD-QNEBEIHSSA-N
smiles: CCCCCC=CCC=CCC=CCCCCCCC(=O)O
pubchem: 5280581
broader: CHEMONTID_0002949
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-
type: ChemicalSubstance
type: ChemicalCompound
formula: C20H34O2
notation: c81114C20aTz
cas number: 1783-84-2

simetryn
pubchem: 13905
notation: simtn
broader: CHEMONTID_0004735
type: ChemicalCompound
inchikey: MGLWZSOBALDPEK-UHFFFAOYSA-N
smiles: CCNC1=NC(=NC(=N1)SC)NCC
formula: C8H15N5S
type: Concept
iupac name: N,N'-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine @en
cas number: 1014-70-6
type: ChemicalSubstance
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)
in scheme: Conceptschema Chemische Stoffen

N-ethyl-3-methylaniline
inchi: InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
alternative label: n-ethyl-3-methylaniline
formula: C9H13N
cas number: 102-27-2
inchikey: GUYMMHOQXYZMJQ-UHFFFAOYSA-N
broader: CHEMONTID_0003964
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 7603
smiles: CCNC1=CC=CC(=C1)C
type: ChemicalSubstance
iupac name: N-Ethyl-3-methylaniline @en
notation: NC2y3C1yAn

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

dicyclopentadieen
in scheme: Conceptschema Chemische Stoffen
cas number: 107760-16-7
formula: C10H12
cas number: 45737-84-6
type: ChemicalCompound
cas number: 151065-56-4
smiles: C1C=CC2C1C3CC2C=C3
cas number: 1755-01-7
iupac name: tricyclo[5.2.1.02,6]deca-3,8-diene @en
type: Concept
cas number: 77-73-6
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
notation: DccPeDen
broader: CHEMONTID_0004149
pubchem: 6492
type: ChemicalSubstance
cas number: 60328-38-3
inchikey: HECLRDQVFMWTQS-UHFFFAOYSA-N
cas number: 54335-17-0
cas number: 25038-78-2

renium
cas number: 7440-15-5
formula: Re
broader: CHEMONTID_0000426
type: ChemicalCompound
cas number: 22541-28-2
smiles: [Re]
inchi: InChI=1S/Re
pubchem: 23947
inchikey: WUAPFZMCVAUBPE-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
notation: Re
in scheme: Conceptschema Chemische Stoffen
iupac name: RHENIUM @en

rhenium 186
notation: Re186
inchi: InChI=1S/Re/i1+0
inchikey: WUAPFZMCVAUBPE-IGMARMGPSA-N
smiles: [Re]
broader: CHEMONTID_0000426
iupac name: rhenium-186 @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 14998-63-1
formula: Re
pubchem: 161105

docosaanzuur
cas number: 112-85-6
notation: C22azr
type: Concept
formula: C22H44O2
type: ChemicalCompound
type: ChemicalSubstance
iupac name: Docosanoic acid @en
cas number: 16529-65-0
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen
pubchem: 8215
inchikey: UKMSUNONTOPOIO-UHFFFAOYSA-N
broader: CHEMONTID_0002950

octylbicyclohepteendicarboximide
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
cas number: 113-48-4
broader: CHEMONTID_0001820
type: Concept
type: ChemicalCompound
smiles: CCCCC(CC)CN1C(=O)C2C3CC(C2C1=O)C=C3
formula: C17H25NO2
pubchem: 8227
iupac name: 4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione @en
type: ChemicalSubstance
inchikey: WLLGXSLBOPFWQV-UHFFFAOYSA-N
notation: C8ybccC7eDcb
in scheme: Conceptschema Chemische Stoffen

chlofentezin
type: ChemicalCompound
pubchem: 73670
cas number: 74115-24-5
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: 3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine @en
broader: CHEMONTID_0001099
formula: C14H8Cl2N4
type: Concept
inchikey: UXADOQPNKNTIHB-UHFFFAOYSA-N
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
notation: chloftzn
cas number: 88025-82-5

flazasulfuron
inchikey: HWATZEJQIXKWQS-UHFFFAOYSA-N
notation: flazsfrn
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]sulfonylurea @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001861
cas number: 104040-78-0
type: ChemicalCompound
type: Concept
pubchem: 93539
type: ChemicalSubstance
formula: C13H12F3N5O5S

2-tert-butyl-4-methoxyfenol
cas number: 921-00-6
notation: 2ttC4y4C1oxF
formula: C11H16O2
type: ChemicalCompound
cas number: 1341-82-8
type: ChemicalSubstance
cas number: 121-00-6
pubchem: 8456
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)(C)C1=C(C=CC(=C1)OC)O
inchikey: MRBKEAMVRSLQPH-UHFFFAOYSA-N
iupac name: 2-tert-Butyl-4-methoxyphenol @en
cas number: 25013-16-5
broader: CHEMONTID_0000190
inchi: InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
type: Concept

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

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

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

5-methylchryseen
type: Concept
notation: 5C1yChr
broader: CHEMONTID_0001142
type: ChemicalSubstance
type: ChemicalCompound
smiles: CC1=CC2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3
cas number: 3697-24-3
inchikey: GOHBXWHNJHENRX-UHFFFAOYSA-N
iupac name: 5-METHYLCHRYSENE @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 19427
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

2-ethylhexaanzuur
cas number: 56006-48-5
type: ChemicalCompound
formula: C8H16O2
cas number: 61788-37-2
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
cas number: 149-57-5
broader: CHEMONTID_0003086
smiles: CCCCC(CC)C(=O)O
iupac name: 2-Ethylhexanoic acid @en
cas number: 202054-39-5
notation: 2C2yC6azr
pubchem: 8697
inchikey: OBETXYAYXDNJHR-UHFFFAOYSA-N
cas number: 83829-68-9

kresoxim-methyl
pubchem: 6112114
type: Concept
cas number: 143390-89-0
notation: kresOxmC1y
type: ChemicalCompound
smiles: CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC
broader: CHEMONTID_0002341
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+
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C18H19NO4
iupac name: methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate @en
inchikey: ZOTBXTZVPHCKPN-HTXNQAPBSA-N

rubidium 86
type: Concept
notation: Rb86
type: ChemicalSubstance
iupac name: rubidium-86 @en
cas number: 14932-53-7
formula: Rb
inchikey: IGLNJRXAVVLDKE-OUBTZVSYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Rb/i1+1
pubchem: 6335499
broader: CHEMONTID_0000425
smiles: [Rb]

erucazuur
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: (Z)-Docos-13-enoic acid @en
formula: C22H42O2
cas number: 112-86-7
type: ChemicalCompound
smiles: CCCCCCCCC=CCCCCCCCCCCCC(=O)O
notation: erczr
inchikey: DPUOLQHDNGRHBS-KTKRTIGZSA-N
pubchem: 5281116
broader: CHEMONTID_0002950
type: Concept

benzo(a)anthraceen
cas number: 56-55-3
is referenced by: LUC VI 001
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
pubchem: 5954
formula: C18H12
type: Concept
smiles: C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32
iupac name: Benzo[a]anthracene @en
alternative label: benz(a)anthraceen
alternative label: benzo(a)antra-ceen
broader: CHEMONTID_0000025
type: ChemicalCompound
notation: BaA
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
comment: VLAR II (D2) 'benzo(a)antraceen'
alternative label: benzo(a)antraceen
inchikey: DXBHBZVCASKNBY-UHFFFAOYSA-N

oxyclozanide
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C13H6Cl5NO3
broader: CHEMONTID_0004713
cas number: 2277-92-1
type: ChemicalCompound
notation: Oxcznde
iupac name: 2,3,5-Trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide @en
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)
type: Concept
inchikey: JYWIYHUXVMAGLG-UHFFFAOYSA-N
pubchem: 16779

2,3,7,8-tetrachloordibenzofuraan
notation: PCDF83
formula: C12H4Cl4O
iupac name: 2,3,7,8-TETRACHLORODIBENZOFURAN @en
type: ChemicalSubstance
type: ChemicalCompound
alternative label: 2,3,7,8-tetrachloordibenzofuran
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
pubchem: 39929
smiles: C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
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
comment: VLAR II+ bijlagen
alternative label: 2,3,7,8-tetrachloordibenzofuraan (tecdf)
cas number: 51207-31-9
broader: CHEMONTID_0003029
inchikey: KSMVNVHUTQZITP-UHFFFAOYSA-N
type: Concept
is referenced by: LUC VI 002

roxitromycine
in scheme: Conceptschema Chemische Stoffen
formula: C41H76N2O15
broader: CHEMONTID_0000282
type: ChemicalSubstance
pubchem: 9567573
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
inchikey: RXZBMPWDPOLZGW-KMAKEOJNSA-N
cas number: 80214-83-1
type: Concept
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
type: ChemicalCompound
notation: roxtmcne

2,2',3,4,6,6'-hexachloorbifenyl
notation: PCB145
in scheme: Conceptschema Chemische Stoffen
pubchem: 93442
type: Concept
inchikey: JZFZCLFEPXCRCA-UHFFFAOYSA-N
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
type: ChemicalSubstance
broader: CHEMONTID_0003030
type: ChemicalCompound
formula: C12H4Cl6
iupac name: 1,2,3,5-tetrachloro-4-(2,6-dichlorophenyl)benzene @en
cas number: 74472-40-5

goud 199
broader: CHEMONTID_0000426
pubchem: 167085
type: Concept
inchikey: PCHJSUWPFVWCPO-NJFSPNSNSA-N
iupac name: gold-199 @en
type: ChemicalSubstance
formula: Au
inchi: InChI=1S/Au/i1+2
in scheme: Conceptschema Chemische Stoffen
cas number: 14391-11-8
notation: Au199
smiles: [Au]
type: ChemicalCompound

n-heptadecylcyclohexaan
type: ChemicalSubstance
smiles: CCCCCCCCCCCCCCCCCC1CCCCC1
in scheme: Conceptschema Chemische Stoffen
iupac name: HEPTADECYLCYCLOHEXANE @en
cas number: 19781-73-8
inchikey: VLHZQNGNJQYAIZ-UHFFFAOYSA-N
formula: C23H46
notation: nC17yccC6a
type: Concept
broader: CHEMONTID_0001016
type: ChemicalCompound
pubchem: 29777

2-propaanthiol
formula: C3H8S
inchi: InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 75-33-2
notation: 2C3atol
type: Concept
smiles: CC(C)S
inchikey: KJRCEJOSASVSRA-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0001212
iupac name: Propane-2-thiol @en
pubchem: 6364

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

1,4-diaminobenzeen dihydrochloride
inchikey: IYXMNTLBLQNMLM-UHFFFAOYSA-N
broader: CHEMONTID_0000284
cas number: 624-18-0
type: Concept
formula: C6H10Cl2N2
iupac name: benzene-1,4-diamine dihydrochloride @en
pubchem: 12205
type: ChemicalSubstance
notation: 14DAoBenDHCl
smiles: C1=CC(=CC=C1N)N.Cl.Cl
type: ChemicalCompound
inchi: InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H
in scheme: Conceptschema Chemische Stoffen

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

hexabroom-1,1'-bifenyl
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3-tribromo-4-(2,3,4-tribromophenyl)benzene @en
cas number: 82865-89-2
inchikey: PTJQVJQAZSLKJO-UHFFFAOYSA-N
cas number: 36355-01-8
type: ChemicalSubstance
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
type: Concept
formula: C12H4Br6
broader: CHEMONTID_0003954
pubchem: 154482
notation: HxBr11bFy

1,2-dichloor-1,1,2-trifluorethaan
pubchem: 9631
type: ChemicalCompound
broader: CHEMONTID_0001517
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2-Dichloro-1,1,2-trifluoroethane @en
type: Concept
inchikey: YMRMDGSNYHCUCL-UHFFFAOYSA-N
notation: HCFK123a
formula: C2HCl2F3
smiles: C(C(F)(F)Cl)(F)Cl
inchi: InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H
cas number: 354-23-4
type: ChemicalSubstance

1,1-dichloorpropeen
broader: CHEMONTID_0001168
type: ChemicalCompound
cas number: 563-58-6
in scheme: Conceptschema Chemische Stoffen
smiles: CC=C(Cl)Cl
type: ChemicalSubstance
pubchem: 11245
formula: C3H4Cl2
notation: 11DClC3e
inchikey: ZAIDIVBQUMFXEC-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3
iupac name: 1,1-dichloroprop-1-ene @en

4-dimethylaminoazobenzeen
smiles: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2
pubchem: 6053
cas number: 60-11-7
type: Concept
cas number: 55964-95-9
iupac name: N,N-dimethyl-4-phenyldiazenylaniline @en
type: ChemicalSubstance
type: ChemicalCompound
notation: 4DC1yAoazBen
cas number: 77126-00-2
inchikey: JCYPECIVGRXBMO-UHFFFAOYSA-N
formula: C14H15N3
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003370
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

aspirine
inchi: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
cas number: 2349-94-2
cas number: 98201-60-6
notation: asprne
type: Concept
formula: C9H8O4
broader: CHEMONTID_0004577
pubchem: 2244
inchikey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
iupac name: 2-acetyloxybenzoic acid @en
type: ChemicalCompound
cas number: 11126-37-7
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)OC1=CC=CC=C1C(=O)O
type: ChemicalSubstance
cas number: 26914-13-6
cas number: 50-78-2
cas number: 11126-35-5

alfa-linoleenzuur
inchikey: DTOSIQBPPRVQHS-IUQGRGSQSA-N
cas number: 1955-33-5
type: ChemicalCompound
cas number: 85392-75-2
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+
broader: CHEMONTID_0000504
cas number: 463-40-1
smiles: CCC=CCC=CCC=CCCCCCCCC(=O)O
pubchem: 5282822
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 28290-79-1
notation: alnlzr
iupac name: ['Octadeca-9,12,15-trienoic acid', '(9E,12E,15E)-octadeca-9,12,15-trienoic acid'] @en

bronopol
type: Concept
type: ChemicalCompound
smiles: C(C(CO)([N+](=O)[O-])Br)O
cas number: 52-51-7
iupac name: 2-Bromo-2-nitropropane-1,3-diol @en
cas number: 133248-96-1
type: ChemicalSubstance
inchi: InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004117
inchikey: LVDKZNITIUWNER-UHFFFAOYSA-N
notation: bronpl
formula: C3H6BrNO4
pubchem: 2450

fluquinconazool
formula: C16H8Cl2FN5O
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
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
cas number: 136426-54-5
broader: CHEMONTID_0002314
iupac name: 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one @en
pubchem: 86417
notation: fluqcnzl
inchikey: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

2-cyclohexen-1-on
iupac name: Cyclohex-2-en-1-one @en
notation: 2ccC6e1on
cas number: 25512-62-3
pubchem: 13594
inchi: InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: FWFSEYBSWVRWGL-UHFFFAOYSA-N
cas number: 31830-39-4
formula: C6H8O
type: ChemicalCompound
cas number: 930-68-7
type: ChemicalSubstance
broader: CHEMONTID_0004325
smiles: C1CC=CC(=O)C1

4-chloor-3-methylaniline
cas number: 7149-75-9
broader: CHEMONTID_0003964
iupac name: 4-Chloro-3-methylaniline @en
type: ChemicalSubstance
formula: C7H8ClN
pubchem: 23536
inchi: InChI=1S/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
type: ChemicalCompound
notation: 4Cl3C1yAn
type: Concept
smiles: CC1=C(C=CC(=C1)N)Cl
inchikey: HIHCTGNZNHSZPP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

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

trans-1,2-difenylcyclobutaan
smiles: C1CC(C1C2=CC=CC=C2)C3=CC=CC=C3
inchikey: AERGGMDNGDDGPI-UHFFFAOYSA-N
formula: C16H16
broader: CHEMONTID_0000253
iupac name: (2-Phenylcyclobutyl)benzene @en
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
notation: t12DFyccC4a
cas number: 20071-09-4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 140640
type: Concept

trichloorisocyanuurzuur
cas number: 87-90-1
smiles: C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl
type: ChemicalSubstance
type: ChemicalCompound
iupac name: 1,3,5-Trichloro-1,3,5-triazinane-2,4,6-trione @en
formula: C3Cl3N3O3
broader: CHEMONTID_0001920
type: Concept
notation: TCliCNzr
pubchem: 6909
in scheme: Conceptschema Chemische Stoffen
inchikey: YRIZYWQGELRKNT-UHFFFAOYSA-N
inchi: InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11

flurprimidol
formula: C15H15F3N2O2
type: ChemicalSubstance
type: Concept
pubchem: 73668
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
cas number: 56425-91-3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: flurpmdl
inchikey: VEVZCONIUDBCDC-UHFFFAOYSA-N
iupac name: 2-methyl-1-pyrimidin-5-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol @en
cas number: 77125-41-8
broader: CHEMONTID_0002811

cyclohexanon
formula: C6H10O
cas number: 9075-99-4
is referenced by: LUC IV 012
smiles: C1CCC(=O)CC1
type: Concept
iupac name: Cyclohexanone @en
notation: cycC6on
is referenced by: LUC IV 007
pubchem: 7967
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 108-94-1
inchi: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
cas number: 9003-41-2
broader: CHEMONTID_0003487
cas number: 11119-77-0
is referenced by: LUC IV 000
inchikey: JHIVVAPYMSGYDF-UHFFFAOYSA-N
comment: VLAR II bijl. 4.4.2
type: ChemicalSubstance

4-methyl-2-pentanon
smiles: CC(C)CC(=O)C
type: Concept
alternative label: 4-methyl-2-pentanon (mibk)
type: ChemicalCompound
is referenced by: LUC IV 012
formula: C6H12O
inchi: InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
alternative label: 4-methyl-2-pentanon (MIBK)
broader: CHEMONTID_0000118
pubchem: 7909
type: ChemicalSubstance
cas number: 108-10-1
inchikey: NTIZESTWPVYFNL-UHFFFAOYSA-N
iupac name: 4-Methylpentan-2-one @en
comment: VLAR II bijl. 4.4.2
is referenced by: LUC IV 007
notation: 4C1y2C5on
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 000

sulpiride
in scheme: Conceptschema Chemische Stoffen
notation: sulprde
broader: CHEMONTID_0000031
iupac name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide @en
type: Concept
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)
inchikey: BGRJTUBHPOOWDU-UHFFFAOYSA-N
formula: C15H23N3O4S
pubchem: 5355
cas number: 23672-07-3
type: ChemicalSubstance
type: ChemicalCompound
cas number: 15676-16-1

indolylboterzuur
type: ChemicalSubstance
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
broader: CHEMONTID_0004196
pubchem: 8617
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 65216-51-5
formula: C12H13NO2
inchikey: JTEDVYBZBROSJT-UHFFFAOYSA-N
cas number: 111150-79-9
cas number: 133-32-4
smiles: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
notation: indlbtzr

trimethylsilanol
type: Concept
smiles: [Li+].C[Si](C)(C)[O-]
notation: C3yslnl
inchi: InChI=1S/C3H9OSi.Li/c1-5(2,3)4;/h1-3H3;/q-1;+1
cas number: 2004-14-0
iupac name: lithium trimethyl-oxidosilane @en
formula: C3H9LiOSi
inchikey: OXOZHAWWRPCVGL-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0004479
cas number: 1066-40-6
pubchem: 74821
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

3,5-dinitrofenol
cas number: 586-11-8
type: ChemicalSubstance
pubchem: 11459
notation: 35DNO2Fol
inchikey: UEMBNLWZFIWQFL-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0004505
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchi: InChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H
formula: C6H4N2O5
smiles: C1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]
iupac name: 3,5-DINITROPHENOL @en

propamocarb hydrochloride
smiles: CCCOC(=O)NCCC[NH+](C)C.[Cl-]
cas number: 25606-41-1
broader: CHEMONTID_0002239
cas number: 24579-73-5
type: ChemicalSubstance
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
pubchem: 33112
type: ChemicalCompound
notation: propmcbHCl
formula: C9H21ClN2O2
iupac name: dimethyl-[3-(propoxycarbonylamino)propyl]azanium chloride @en
alternative label: propamocarb
type: Concept
notation: propmcb
inchikey: MKIMSXGUTQTKJU-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

carbonaat
notation: CO3
in scheme: Conceptschema Chemische Stoffen
iupac name: carbonate @en
cas number: 3812-32-6
type: ChemicalCompound
inchikey: BVKZGUZCCUSVTD-UHFFFAOYSA-L
broader: CHEMONTID_0001521
smiles: C(=O)([O-])[O-]
pubchem: 19660
inchi: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
type: Concept
type: ChemicalSubstance
formula: CO3-2

benzaldehyde
notation: BenAh
broader: CHEMONTID_0000321
cas number: 100-52-7
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
smiles: C1=CC=C(C=C1)C=O
pubchem: 240
inchikey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
formula: C7H6O
inchi: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
iupac name: BENZALDEHYDE @en

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

pentylbenzeen
cas number: 538-68-1
in scheme: Conceptschema Chemische Stoffen
formula: C11H16
pubchem: 10864
notation: C5yBen
broader: CHEMONTID_0002279
cas number: 74296-33-6
inchikey: PWATWSYOIIXYMA-UHFFFAOYSA-N
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
smiles: CCCCCC1=CC=CC=C1
type: ChemicalCompound
type: ChemicalSubstance
cas number: 27458-20-4
type: Concept
iupac name: Pentylbenzene @en

pentachloorthioanisole
in scheme: Conceptschema Chemische Stoffen
formula: C7H3Cl5S
inchi: InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
type: ChemicalSubstance
pubchem: 15766
cas number: 1825-19-0
notation: PCTA
type: ChemicalCompound
smiles: CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
type: Concept
iupac name: 1,2,3,4,5-pentachloro-6-methylsulfanylbenzene @en
inchikey: LGZZJTIUEJNNKV-UHFFFAOYSA-N
broader: CHEMONTID_0004631

amylacetaat
type: ChemicalCompound
broader: CHEMONTID_0001238
notation: amactt
iupac name: Pentyl acetate @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 12348
formula: C7H14O2
type: ChemicalSubstance
inchi: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
cas number: 628-63-7
smiles: CCCCCOC(=O)C
inchikey: PGMYKACGEOXYJE-UHFFFAOYSA-N

arachidonzuur
notation: arcdnzr
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+
cas number: 506-32-1
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
inchikey: YZXBAPSDXZZRGB-CGRWFSSPSA-N
cas number: 7771-44-0
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
formula: C20H32O2
pubchem: 5312542
iupac name: ['Icosa-5,8,11,14-tetraenoic acid', '(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid'] @en
broader: CHEMONTID_0002949
type: ChemicalSubstance

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

triclopyr-butoxyethylester
broader: CHEMONTID_0003971
notation: TcpC4OxC2yEs
smiles: CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
formula: C13H16Cl3NO4
inchikey: IVDRCZNHVGQBHZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate @en
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
cas number: 64700-56-7
pubchem: 47455
cas number: 64470-88-8

dimethirimol
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: CJHXCRMKMMBYJQ-UHFFFAOYSA-N
type: ChemicalSubstance
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)
cas number: 5221-53-4
pubchem: 21290
formula: C11H19N3O
smiles: CCCCC1=C(NC(=NC1=O)N(C)C)C
iupac name: 5-butyl-2-dimethylamino-6-methyl-1H-pyrimidin-4-one @en
type: Concept
broader: CHEMONTID_0003901
notation: Dmtrml

9-Chloorhexadecafluor-3-oxanonaansulfonzuur
broader: CHEMONTID_0001179
type: Concept
inchikey: OWQCHLFKOGVODW-UHFFFAOYSA-M
pubchem: 25210512
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 73606-19-6
formula: C8ClF16KO4S
type: ChemicalSubstance
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
notation: 9Cl-PF3ONS

oxasulfuron
notation: Oasfrn
broader: CHEMONTID_0004705
inchikey: IOXAXYHXMLCCJJ-UHFFFAOYSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 86443
iupac name: oxetan-3-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate @en
formula: C17H18N4O6S
type: ChemicalSubstance
type: ChemicalCompound
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)
cas number: 144651-06-9

oryzalin
smiles: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]
notation: orzln
broader: CHEMONTID_0003968
cas number: 19044-88-3
type: ChemicalSubstance
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)
pubchem: 29393
iupac name: 4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide @en
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C12H18N4O6S
type: ChemicalCompound
inchikey: UNAHYJYOSSSJHH-UHFFFAOYSA-N

triethylcitraat
type: ChemicalCompound
inchikey: DOOTYTYQINUNNV-UHFFFAOYSA-N
smiles: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
cas number: 77-93-0
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C12H20O7
pubchem: 6506
notation: TC2ycitt
broader: CHEMONTID_0001986
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

1,3,5-trichloor-2,4,6-trimethylbenzeen
pubchem: 138452
broader: CHEMONTID_0001099
type: Concept
notation: 135TCl246TC1
type: ChemicalCompound
formula: C9H9Cl3
inchikey: VMNISWKTOHUZQN-UHFFFAOYSA-N
inchi: InChI=1S/C9H9Cl3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3
cas number: 5324-68-5
smiles: CC1=C(C(=C(C(=C1Cl)C)Cl)C)Cl
iupac name: 1,3,5-Trichloro-2,4,6-trimethylbenzene @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

p-chloor-m-cresol
type: ChemicalCompound
inchikey: SSIMHHUMYMHNID-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-(chloromethyl)phenol @en
notation: pClmcsl
formula: C7H7ClO
broader: CHEMONTID_0003980
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C7H7ClO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5H2
cas number: 35421-08-0
pubchem: 35684
smiles: C1=CC(=CC=C1CCl)O

crimidine
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: HJIUPFPIEBPYIE-UHFFFAOYSA-N
pubchem: 10813
type: ChemicalCompound
broader: CHEMONTID_0003901
type: ChemicalSubstance
iupac name: 2-chloro-N,N,6-trimethylpyrimidin-4-amine @en
cas number: 535-89-7
formula: C7H10ClN3
smiles: CC1=CC(=NC(=N1)Cl)N(C)C
notation: crimdne
inchi: InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3

mosterdgas
broader: CHEMONTID_0001279
notation: mostgs
iupac name: 1-chloro-2-(2-chloroethylsulfanyl)ethane @en
inchi: InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2
type: ChemicalSubstance
inchikey: QKSKPIVNLNLAAV-UHFFFAOYSA-N
type: Concept
pubchem: 10461
cas number: 39472-40-7
cas number: 68157-62-0
cas number: 69020-37-7
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C4H8Cl2S
smiles: C(CCl)SCCCl
cas number: 505-60-2

butaan
cas number: 68475-59-2
broader: CHEMONTID_0002500
cas number: 68527-17-3
cas number: 68476-42-6
type: ChemicalCompound
inchikey: IJDNQMDRQITEOD-UHFFFAOYSA-N
cas number: 106-97-8
cas number: 68551-21-3
cas number: 68514-31-8
notation: C4a
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
formula: C4H10
type: ChemicalSubstance
smiles: CCCC
type: Concept
iupac name: BUTANE @en
pubchem: 7843

carfentrazon-ethyl
pubchem: 86222
notation: carftznC2y
formula: C15H14Cl2F3N3O3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: MLKCGVHIFJBRCD-UHFFFAOYSA-N
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
broader: CHEMONTID_0003314
type: ChemicalSubstance
cas number: 128639-02-1

bismuth 212
broader: CHEMONTID_0000427
type: ChemicalCompound
iupac name: bismuth-212 @en
inchi: InChI=1S/Bi/i1+3
type: Concept
formula: Bi
type: ChemicalSubstance
pubchem: 6335500
in scheme: Conceptschema Chemische Stoffen
inchikey: JCXGWMGPZLAOME-AKLPVKDBSA-N
notation: Bi212
smiles: [Bi]
cas number: 14913-49-6

gabapentine-lactam
broader: CHEMONTID_0000130
type: ChemicalCompound
formula: C9H15NO
smiles: C1CCC2(CC1)CC(=O)NC2
inchikey: JAWPQJDOQPSNIQ-UHFFFAOYSA-N
iupac name: 2-azaspiro[4.5]decan-3-one @en
inchi: InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
pubchem: 47457
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: gabptnltm
cas number: 64744-50-9

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

mangaan
comment: VLAR II bijl. 4.4.2 'mangaan en zijn verbindingen, uitgedrukt in Mn'
comment: VLAR III (D3, diverse art) 'Mn'
in scheme: Conceptschema Chemische Stoffen
notation: Mn
formula: Mn
pubchem: 23930
cas number: 19768-33-3
cas number: 39303-06-5
definition: mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)
cas number: 22325-60-6
is referenced by: LUC I 002
comment: VLAR II D5 'mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)'
inchi: InChI=1S/Mn
smiles: [Mn]
cas number: 8075-39-6
type: Concept
type: ChemicalCompound
alternative label: Mangaan (Mn)
inchikey: PWHULOQIROXLJO-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 7439-96-5
is referenced by: LUC III 010
iupac name: Manganese @en
broader: CHEMONTID_0000426
cas number: 17375-02-9
cas number: 195161-78-5
cas number: 8031-40-1
comment: VLAR III (D3) 'Mangaan en mangaanverbindingen, uitgedrukt in mangaan (Mn)'

microcystine-LY
formula: C52H71N7O13
notation: MC-LY
type: ChemicalSubstance
alternative label: microcystine-ly
cas number: 123304-10-9
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
broader: CHEMONTID_0002010
pubchem: 6440826
inchikey: SIGQAYSWORHPPH-GFXLLRAPSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
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+
type: Concept

promecarb
cas number: 31677-56-2
pubchem: 17516
type: ChemicalSubstance
notation: promcb
type: ChemicalCompound
type: Concept
iupac name: (3-methyl-5-propan-2-ylphenyl) N-methylcarbamate @en
formula: C12H17NO2
inchikey: DTAPQAJKAFRNJB-UHFFFAOYSA-N
cas number: 2631-37-0
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)
broader: CHEMONTID_0004640
cas number: 4111-89-1
smiles: CC1=CC(=CC(=C1)OC(=O)NC)C(C)C
in scheme: Conceptschema Chemische Stoffen

2,2-dibroom-2-cyaanaceetamide
smiles: C(#N)C(C(=O)N)(Br)Br
inchi: InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: UUIVKBHZENILKB-UHFFFAOYSA-N
notation: 22DBr2caacam
pubchem: 25059
iupac name: 2,2-DIBROMO-2-CYANOACETAMIDE @en
broader: CHEMONTID_0001662
formula: C3H2Br2N2O
cas number: 10222-01-2
in scheme: Conceptschema Chemische Stoffen

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

desmethyldiazepam
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)
type: ChemicalCompound
type: ChemicalSubstance
inchikey: AKPLHCDWDRPJGD-UHFFFAOYSA-N
cas number: 1088-11-5
notation: desC1yDazpm
pubchem: 2997
iupac name: 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004097
type: Concept
formula: C15H11ClN2O

mangaan 54
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000426
inchikey: PWHULOQIROXLJO-BJUDXGSMSA-N
inchi: InChI=1S/Mn/i1-1
type: Concept
smiles: [Mn]
formula: Mn
iupac name: manganese-54 @en
type: ChemicalCompound
cas number: 13966-31-9
type: ChemicalSubstance
notation: Mn54
pubchem: 104743

triamifos
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)
cas number: 1031-47-6
in scheme: Conceptschema Chemische Stoffen
notation: Tamfs
type: ChemicalCompound
formula: C12H19N6OP
inchikey: BABJTMNVJXLAEX-UHFFFAOYSA-N
pubchem: 13943
broader: CHEMONTID_0003314
iupac name: 2-bis(dimethylamino)phosphoryl-5-phenyl-1,2,4-triazol-3-amine @en
type: Concept
type: ChemicalSubstance

verapamil
formula: C27H38N2O4
cas number: 52-53-9
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
type: Concept
iupac name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile @en
smiles: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
type: ChemicalCompound
notation: verpml
cas number: 56949-77-0
broader: CHEMONTID_0000014
pubchem: 2520
type: ChemicalSubstance
inchikey: SGTNSNPWRIOYBX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

2,2',3,4,4',5',6-heptachloorbifenyl
inchikey: KQBFUDNJKCZEDQ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 40476
iupac name: 1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenyl)benzene @en
type: Concept
notation: PCB183
broader: CHEMONTID_0003030
type: ChemicalCompound
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
cas number: 52663-69-1
type: ChemicalSubstance

t-butanol
is referenced by: LUC IV 000
smiles: CC(C)(C)O
iupac name: 2-Methylpropan-2-ol @en
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 009
is referenced by: LUC IV 012
inchi: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
type: ChemicalCompound
type: Concept
notation: ttC4ol
type: ChemicalSubstance
broader: CHEMONTID_0001670
pubchem: 6386
alternative label: tertiair-butanol
inchikey: DKGAVHZHDRPRBM-UHFFFAOYSA-N
cas number: 75-65-0
formula: C4H10O

methylaniline
inchi: InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
cas number: 100-61-8
iupac name: N-Methylaniline @en
type: ChemicalCompound
inchikey: AFBPFSWMIHJQDM-UHFFFAOYSA-N
smiles: CNC1=CC=CC=C1
formula: C7H9N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003924
pubchem: 7515
notation: C1yAn

dichloorpropanol
inchikey: DEWLEGDTCGBNGU-UHFFFAOYSA-N
cas number: 148584-48-9
cas number: 96-23-1
smiles: C(C(CCl)O)Cl
iupac name: 1,3-Dichloropropan-2-ol @en
type: Concept
alternative label: 1,3-dichloor-2-propanol
notation: DClC3ol
pubchem: 7289
notation: 13DCl2C3ol
formula: C3H6Cl2O
type: ChemicalSubstance
cas number: 26602-95-9
broader: CHEMONTID_0002608
cas number: 26545-73-3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchi: InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
cas number: 27988-86-9

2,6-dimethylpyridine
inchi: InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3
type: ChemicalSubstance
notation: 26DC1yprdne
smiles: CC1=NC(=CC=C1)C
cas number: 108-48-5
in scheme: Conceptschema Chemische Stoffen
formula: C7H9N
pubchem: 7937
broader: CHEMONTID_0004152
type: Concept
iupac name: 2,6-Dimethylpyridine @en
type: ChemicalCompound
inchikey: OISVCGZHLKNMSJ-UHFFFAOYSA-N

kalium N-methyldithiocarbamaat
in scheme: Conceptschema Chemische Stoffen
iupac name: potassium methylaminomethanedithioate @en
pubchem: 8725
notation: KNC1yDtocbmt
inchi: InChI=1S/C2H5NS2.K/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1
type: Concept
type: ChemicalCompound
formula: C2H4KNS2
alternative label: kalium n-methyldithiocarbamaat
type: ChemicalSubstance
inchikey: DQRQIQZHRCRSDB-UHFFFAOYSA-M
broader: CHEMONTID_0004099
smiles: CN=C(S)[S-].[K+]
cas number: 137-41-7

clofibrinezuur
pubchem: 2797
broader: CHEMONTID_0000417
inchikey: TXCGAZHTZHNUAI-UHFFFAOYSA-N
notation: clofbnzr
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)
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C10H11ClO3
type: Concept
iupac name: 2-(4-Chlorophenoxy)-2-methylpropanoic acid @en
cas number: 882-09-7
smiles: CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

2-methyl-5-(methylthio)furan
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-methyl-5-methylsulfanylfuran @en
cas number: 13678-59-6
pubchem: 61657
type: ChemicalCompound
smiles: CC1=CC=C(O1)SC
notation: 2C1y5C1ytofr
broader: CHEMONTID_0004631
inchikey: RESBOJMQOGJOMW-UHFFFAOYSA-N
formula: C6H8OS

ethiofencarb
inchikey: HEZNVIYQEUHLNI-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 29973-13-5
type: ChemicalCompound
pubchem: 34766
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
cas number: 56730-58-6
type: ChemicalSubstance
broader: CHEMONTID_0004640
formula: C11H15NO2S
type: Concept
cas number: 56729-20-5
smiles: CCSCC1=CC=CC=C1OC(=O)NC
notation: etofcb

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

n-(3-aminopropyl)-n-dodecylpropaan-1,3-diamine
cas number: 2372-82-9
notation: N3AoC3yN12yC
iupac name: N-(3-Aminopropyl)-N-dodecylpropane-1,3-diamine @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002239
smiles: CCCCCCCCCCCCN(CCCN)CCCN
pubchem: 75407
alternative label: N-(3-aminopropyl)-N-dodecylpropaan-1,3-diamine
type: ChemicalCompound
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
inchikey: NYNKJVPRTLBJNQ-UHFFFAOYSA-N
formula: C18H41N3

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

joxaglinezuur
type: ChemicalSubstance
formula: C24H21I6N5O8
inchikey: TYYBFXNZMFNZJT-UHFFFAOYSA-N
cas number: 59017-64-0
notation: joxgnzr
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)
pubchem: 3742
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004361
type: Concept
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
type: ChemicalCompound

cefalexine
cas number: 15686-71-2
type: Concept
broader: CHEMONTID_0000173
type: ChemicalSubstance
formula: C16H20ClN3O5S
in scheme: Conceptschema Chemische Stoffen
cas number: 105879-42-3
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
inchikey: YHJDZIQOCSDIQU-OEDJVVDHSA-N
pubchem: 62979
notation: ceflxne
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
type: ChemicalCompound

thiofanox-sulfon
smiles: CC(C)(C)C(=NOC(=O)NC)CS(=O)(=O)C
formula: C9H18N2O4S
broader: CHEMONTID_0004752
type: Concept
notation: tofnsfn
type: ChemicalSubstance
cas number: 39184-59-3
inchikey: PZOIECHFNQBYRT-YRNVUSSQSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: [(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate @en
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+
pubchem: 5491760
type: ChemicalCompound

3-methylhexaan
in scheme: Conceptschema Chemische Stoffen
smiles: CCCC(C)CC
type: ChemicalCompound
inchi: InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
formula: C7H16
cas number: 116502-45-5
notation: 3C1yC6a
type: ChemicalSubstance
cas number: 589-34-4
inchikey: VLJXXKKOSFGPHI-UHFFFAOYSA-N
type: Concept
iupac name: 3-Methylhexane @en
broader: CHEMONTID_0004620
pubchem: 11507

demeton-S-methyl
type: Concept
formula: C6H15O3PS2
type: ChemicalCompound
alternative label: demeton-s-methyl
pubchem: 13526
in scheme: Conceptschema Chemische Stoffen
smiles: CCSCCSP(=O)(OC)OC
notation: demtSC1y
inchikey: WEBQKRLKWNIYKK-UHFFFAOYSA-N
cas number: 919-86-8
inchi: InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3
type: ChemicalSubstance
broader: CHEMONTID_0001438
iupac name: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane @en

2,4-D chloorcrotyl-ester
smiles: C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC=CCCl
in scheme: Conceptschema Chemische Stoffen
notation: 24DClctEsr
pubchem: 6433355
inchikey: NEVMZYLKPFGDJB-OWOJBTEDSA-N
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+
formula: C12H11Cl3O3
type: Concept
alternative label: 2,4-d chloorcrotyl-ester
cas number: 2971-38-2
iupac name: [(E)-4-chlorobut-2-enyl] 2-(2,4-dichlorophenoxy)acetate @en
broader: CHEMONTID_0000417
type: ChemicalSubstance
type: ChemicalCompound

chloride
is referenced by: LUC III 002
is referenced by: WAC V B 003
type: ChemicalSubstance
is referenced by: CMA 2 I C
smiles: [Cl-]
in scheme: Conceptschema Chemische Stoffen
inchikey: VEXZGXHMUGYJMC-UHFFFAOYSA-M
broader: CHEMONTID_0000548
formula: Cl-
iupac name: chloride @en
is referenced by: WAC III D 020
type: Concept
notation: Cl
cas number: 16887-00-6
inchi: InChI=1S/ClH/h1H/p-1
type: ChemicalCompound
pubchem: 312

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

telodrin
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
pubchem: 9271
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 1,3,5,7,8,9,10,10-octachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene @en
formula: C9H4Cl8O
broader: CHEMONTID_0002648
cas number: 297-78-9
inchikey: LRWHHSXTGZSMSN-UHFFFAOYSA-N
type: Concept
notation: teldn
type: ChemicalSubstance

spirodiclofen
type: ChemicalSubstance
type: ChemicalCompound
cas number: 148477-71-8
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: spirdcfn
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
inchikey: DTDSAWVUFPGDMX-UHFFFAOYSA-N
formula: C21H24Cl2O4
pubchem: 177863
iupac name: [3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate @en

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

indeen
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
type: Concept
cas number: 95-13-6
type: ChemicalSubstance
type: ChemicalCompound
cas number: 71551-80-9
pubchem: 7219
inchikey: YBYIRNPNPLQARY-UHFFFAOYSA-N
iupac name: 1H-Indene @en
cas number: 9003-64-9
notation: inde
broader: CHEMONTID_0000021
formula: C9H8
smiles: C1C=CC2=CC=CC=C21

ametryn
notation: amtn
smiles: CCNC1=NC(=NC(=N1)SC)NC(C)C
type: ChemicalCompound
inchikey: RQVYBGPQFYCBGX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 13263
type: ChemicalSubstance
iupac name: N'-ethyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
formula: C9H17N5S
type: Concept
broader: CHEMONTID_0004735
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)
cas number: 834-12-8

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

2,5-dichloornitrobenzeen
formula: C6H3Cl2NO2
iupac name: 1,4-Dichloro-2-nitrobenzene @en
inchi: InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
type: ChemicalCompound
inchikey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N
notation: 25DClNO2Ben
smiles: C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 89-61-2
pubchem: 6977
broader: CHEMONTID_0000036
type: Concept

pyridafention
iupac name: 6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one @en
formula: C14H17N2O4PS
type: ChemicalCompound
type: Concept
inchikey: CXJSOEPQXUCJSA-UHFFFAOYSA-N
notation: pyrdfton
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 119-12-0
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
pubchem: 8381
broader: CHEMONTID_0004623

4-chloor-n-methylaniline
pubchem: 70272
smiles: CNC1=CC=C(C=C1)Cl
iupac name: 4-Chloro-N-methylaniline @en
cas number: 932-96-7
notation: 4ClNC1yAn
in scheme: Conceptschema Chemische Stoffen
formula: C7H8ClN
type: ChemicalSubstance
alternative label: 4-chloor-N-methylaniline
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0003924
inchi: InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
inchikey: XCEYKKJMLOFDSS-UHFFFAOYSA-N

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

methopreen
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
type: Concept
smiles: CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC
cas number: 40596-69-8
type: ChemicalSubstance
cas number: 52020-07-2
in scheme: Conceptschema Chemische Stoffen
cas number: 208035-61-4
cas number: 36557-27-4
notation: metpn
cas number: 208035-62-5
cas number: 41205-06-5
cas number: 65733-16-6
pubchem: 5366546
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+
cas number: 134678-54-9
inchikey: NFGXHKASABOEEW-LDRANXPESA-N
formula: C19H34O3
broader: CHEMONTID_0001550
type: ChemicalCompound

cycluron
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)C(=O)NC1CCCCCCC1
type: Concept
iupac name: 3-Cyclooctyl-1,1-dimethylurea @en
pubchem: 16554
formula: C11H22N2O
broader: CHEMONTID_0000517
type: ChemicalCompound
cas number: 2163-69-1
inchikey: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
notation: cycrn
type: ChemicalSubstance
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)

n-nitrosomorfoline
type: ChemicalCompound
smiles: C1COCCN1N=O
iupac name: 4-Nitrosomorpholine @en
inchi: InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2
inchikey: ZKXDGKXYMTYWTB-UHFFFAOYSA-N
alternative label: N-nitrosomorfoline
type: ChemicalSubstance
cas number: 67587-56-8
pubchem: 6046
cas number: 59-89-2
type: Concept
formula: C4H8N2O2
notation: NNO2smflne
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000392

tetradecyltrimethylammonium bromide
type: Concept
type: ChemicalSubstance
cas number: 8044-71-1
inchikey: CXRFDZFCGOPDTD-UHFFFAOYSA-M
iupac name: trimethyl-tetradecylazanium bromide @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 14250
formula: C17H38BrN
cas number: 114568-24-0
notation: C14yTC1yNH4B
broader: CHEMONTID_0004225
cas number: 1119-97-7
cas number: 10182-92-0
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
type: ChemicalCompound
smiles: CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]

waterstofchloride
comment: VLAR III (D3, diverse art) 'HCl'
is referenced by: LUC III 001
cas number: 7647-01-0
inchi: InChI=1S/ClH/h1H
type: Concept
smiles: Cl
comment: VLAR II bijl. 2.5.1 'chloorwaterstof'
notation: HCl
inchikey: VEXZGXHMUGYJMC-UHFFFAOYSA-N
cas number: 113962-65-5
iupac name: ['hydrogen chloride', 'hydron chloride'] @en
formula: ClH
cas number: 51005-19-7
cas number: 61674-62-2
cas number: 218625-68-4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 313
alternative label: zoutzuur
comment: VLAR III (D3) 'waterstofchloride (HCl)'
comment: VLAR II (D5, diverse art) 'HCl'
broader: CHEMONTID_0000548
type: ChemicalCompound

hexahydrohexamethylcyclopentabenzopyran (hhcb)
iupac name: 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene @en
alternative label: hexahydrohexamethylcyclopentabenzopyran (HHCB)
type: ChemicalCompound
pubchem: 91497
type: Concept
broader: CHEMONTID_0003411
inchikey: ONKNPOPIGWHAQC-UHFFFAOYSA-N
cas number: 1222-05-5
formula: C18H26O
smiles: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
cas number: 80450-66-4
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
type: ChemicalSubstance
notation: HHCB
in scheme: Conceptschema Chemische Stoffen

dienochloor
notation: DenCl
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
broader: CHEMONTID_0002863
type: ChemicalSubstance
cas number: 2227-17-0
pubchem: 16686
type: ChemicalCompound
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
type: Concept
formula: C10Cl10
inchikey: LWLJUMBEZJHXHV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

pp'dichloordifenyldichlooretheen
in scheme: Conceptschema Chemische Stoffen
inchikey: UCNVFOCBFJOQAL-UHFFFAOYSA-N
pubchem: 3035
type: ChemicalCompound
notation: 44DDE
type: Concept
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
alternative label: 4,4'-dichloordifenyldichlooretheen
cas number: 72-55-9
formula: C14H8Cl4
alternative label: p,p’-dde
cas number: 12002-54-9
type: ChemicalSubstance
broader: CHEMONTID_0000369
cas number: 68679-99-2
iupac name: 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene @en

2-methylhexaan
type: Concept
inchi: InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
cas number: 31394-54-4
pubchem: 11582
formula: C7H16
notation: 2C1yC6a
type: ChemicalCompound
inchikey: GXDHCNNESPLIKD-UHFFFAOYSA-N
iupac name: 2-Methylhexane @en
cas number: 591-76-4
smiles: CCCCC(C)C
broader: CHEMONTID_0004620
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

seleen
comment: VLAR III (D3, diverse art) 'Se'
formula: Se
cas number: 95788-45-7
type: ChemicalSubstance
is referenced by: LUC I 002
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC III 010
definition: seleen en seleenverbindingen, uitgedrukt als lood (Pb)
cas number: 12641-96-2
alternative label: Seleen (Se)
cas number: 12733-65-2
is referenced by: WAC III B 010
pubchem: 6326970
comment: VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'
cas number: 11133-88-3
cas number: 51882-60-1
type: ChemicalCompound
comment: VLAR III (D3) 'seleenverbindingen, uitgedrukt als Se'
smiles: [Se]
notation: Se
iupac name: Selenium @en
cas number: 50954-17-1
cas number: 12640-29-8
is referenced by: CMA 2 I B
is referenced by: CMA 2 I B.6
cas number: 7782-49-2
cas number: 11125-23-8
type: Concept
inchikey: BUGBHKTXTAQXES-UHFFFAOYSA-N
cas number: 37276-15-6
cas number: 37368-02-8
broader: CHEMONTID_0000434
cas number: 12640-30-1
inchi: InChI=1S/Se
is referenced by: CMA 2 I B.1
cas number: 37256-19-2
cas number: 37258-85-8
cas number: 7783-07-5
is referenced by: WAC III B 012

tolueensulfonamide
formula: C7H9NO2S
pubchem: 6924
type: ChemicalCompound
iupac name: 2-Methylbenzenesulfonamide @en
notation: oTolsfAd
alternative label: o-tolueensulfonamide
notation: TSA
type: ChemicalSubstance
smiles: CC1=CC=CC=C1S(=O)(=O)N
type: Concept
broader: CHEMONTID_0000031
cas number: 8013-74-9
cas number: 1333-07-9
in scheme: Conceptschema Chemische Stoffen
inchikey: YCMLQMDWSXFTIF-UHFFFAOYSA-N
inchi: InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
cas number: 88-19-7

morfoline
broader: CHEMONTID_0000392
cas number: 147366-31-2
cas number: 99108-56-2
smiles: C1COCCN1
cas number: 61791-40-0
type: Concept
cas number: 110-91-8
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C4H9NO
pubchem: 8083
cas number: 88542-81-8
notation: morflne
cas number: 96122-95-1
iupac name: Morpholine @en
inchi: InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
inchikey: YNAVUWVOSKDBBP-UHFFFAOYSA-N

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

diethofencarb
notation: Detfcb
iupac name: propan-2-yl N-(3,4-diethoxyphenyl)carbamate @en
pubchem: 91742
inchikey: LNJNFVJKDJYTEU-UHFFFAOYSA-N
type: ChemicalSubstance
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)
smiles: CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC
in scheme: Conceptschema Chemische Stoffen
cas number: 87130-20-9
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0004714

2-fenoxyethanol
type: ChemicalCompound
broader: CHEMONTID_0002341
iupac name: 2-(phenoxy)ethanol @en
smiles: C1=CC=C(C=C1)OCCO
cas number: 37220-49-8
inchikey: QCDWFXQBSFUVSP-UHFFFAOYSA-N
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
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C8H10O2
inchi: InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
cas number: 200260-63-5
pubchem: 31236
notation: 2fenOxC2ol
type: Concept
cas number: 9004-78-8

1,2,3,4,6,7,8-heptachloordibenzofuraan
iupac name: 1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN @en
cas number: 38998-75-3
alternative label: 1,2,3,4,6,7,8-heptachloordibenzofuran
type: Concept
notation: PCDF131
is referenced by: LUC VI 002
pubchem: 38199
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
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II+ bijlagen
inchikey: WDMKCPIVJOGHBF-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C12HCl7O
broader: CHEMONTID_0003029
alternative label: 1,2,3,4,6,7,8-heptachloordibenzofuraan (hpcdf)
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
cas number: 67562-39-4
cas number: 67652-39-5
type: ChemicalCompound

pentaerythritoltetranitraat (petn)
alternative label: pentaerythritoltetranitraat (PETN)
cas number: 103842-90-6
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
cas number: 53025-84-6
formula: C5H8N4O12
in scheme: Conceptschema Chemische Stoffen
notation: PeerttT4NO3
broader: CHEMONTID_0004091
type: ChemicalCompound
cas number: 108736-71-6
inchikey: TZRXHJWUDPFEEY-UHFFFAOYSA-N
cas number: 78-11-5
smiles: C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]
type: ChemicalSubstance
pubchem: 6518
iupac name: [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate @en
type: Concept

pyriproxyfen
type: ChemicalCompound
inchikey: NHDHVHZZCFYRSB-UHFFFAOYSA-N
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
notation: pyrpxfn
iupac name: 2-[1-[4-(phenoxy)phenoxy]propan-2-yloxy]pyridine @en
pubchem: 91753
cas number: 126040-81-1
in scheme: Conceptschema Chemische Stoffen
cas number: 95737-68-1
type: ChemicalSubstance
broader: CHEMONTID_0004155
type: Concept
formula: C20H19NO3

hexamethylcyclotrisiloxaan
in scheme: Conceptschema Chemische Stoffen
smiles: C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C
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
inchikey: HTDJPCNNEPUOOQ-UHFFFAOYSA-N
cas number: 541-05-9
type: ChemicalSubstance
type: Concept
notation: HxC1yccTslxn
formula: C6H18O3Si3
type: ChemicalCompound
broader: CHEMONTID_0004445
pubchem: 10914

flubendazole
broader: CHEMONTID_0000120
iupac name: methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate @en
inchikey: CPEUVMUXAHMANV-UHFFFAOYSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: flubdzle
pubchem: 35802
alternative label: flubendazol
type: ChemicalSubstance
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)
type: ChemicalCompound
formula: C16H12FN3O3
cas number: 31430-15-6

2-hexanon
pubchem: 11583
smiles: CCCCC(=O)C
iupac name: hexan-2-one @en
inchikey: QQZOPKMRPOGIEB-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000118
cas number: 30637-87-7
type: ChemicalSubstance
inchi: InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
formula: C6H12O
in scheme: Conceptschema Chemische Stoffen
notation: 2C6on
cas number: 591-78-6

2-methoxy-4-nitrofenol
formula: C7H7NO4
pubchem: 76738
iupac name: 2-Methoxy-4-nitrophenol @en
notation: 2C1ox4NO2Fol
type: Concept
broader: CHEMONTID_0004671
type: ChemicalCompound
smiles: COC1=C(C=CC(=C1)[N+](=O)[O-])O
in scheme: Conceptschema Chemische Stoffen
cas number: 3251-56-7
inchikey: IZLVFLOBTPURLP-UHFFFAOYSA-N
inchi: InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3
type: ChemicalSubstance

fosfor
broader: CHEMONTID_0000434
pubchem: 5462309
is referenced by: WAC III C 010
iupac name: Phosphorus @en
smiles: [P]
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: P
type: ChemicalCompound
inchikey: OAICVXFJPJFONN-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/P
cas number: 7723-14-0

propyfenazon
iupac name: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one @en
inchikey: PXWLVJLKJGVOKE-UHFFFAOYSA-N
cas number: 88205-06-5
cas number: 128065-64-5
cas number: 12542-35-7
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
notation: propfnzn
formula: C14H18N2O
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0002019
type: Concept
cas number: 479-92-5
pubchem: 3778
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C
type: ChemicalCompound

chloorfluazuron
notation: Clfazrn
pubchem: 91708
broader: CHEMONTID_0004513
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
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
inchikey: UISUNVFOGSJSKD-UHFFFAOYSA-N
type: ChemicalCompound

triticonazool
cas number: 131983-72-7
pubchem: 6436449
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: Ttcnzl
formula: C17H20ClN3O
type: ChemicalSubstance
inchikey: PPDBOQMNKNNODG-ZROIWOOFSA-N
broader: CHEMONTID_0001099
type: ChemicalCompound
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

1-methoxybutaan
formula: C5H12O
notation: 1C1oxC4a
pubchem: 12338
broader: CHEMONTID_0001167
cas number: 628-28-4
type: ChemicalCompound
iupac name: 1-Methoxybutane @en
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3
inchikey: CXBDYQVECUFKRK-UHFFFAOYSA-N
smiles: CCCCOC
in scheme: Conceptschema Chemische Stoffen

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

3,5-xylylmethylcarbamaat
cas number: 2655-14-3
type: ChemicalSubstance
inchikey: CVQODEWAPZVVBU-UHFFFAOYSA-N
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)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004640
smiles: CC1=CC(=CC(=C1)OC(=O)NC)C
formula: C10H13NO2
iupac name: (3,5-dimethylphenyl) N-methylcarbamate @en
type: ChemicalCompound
notation: XMC
type: Concept
pubchem: 17563

1-(4-isopropylfenyl)ureum
notation: 14iC3yFyurum
type: ChemicalSubstance
iupac name: (4-propan-2-ylphenyl)urea @en
formula: C10H14N2O
inchikey: ABBKOIZWGCVCKE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001935
type: ChemicalCompound
cas number: 56046-17-4
type: Concept
smiles: CC(C)C1=CC=C(C=C1)NC(=O)N
pubchem: 185831
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)

1-isocyanaat-octadecaan
inchikey: QWDQYHPOSSHSAW-UHFFFAOYSA-N
type: Concept
cas number: 112-96-9
iupac name: 1-Isocyanatooctadecane @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000501
type: ChemicalSubstance
formula: C19H37NO
cas number: 156520-08-0
notation: 1iCNC18a
type: ChemicalCompound
smiles: CCCCCCCCCCCCCCCCCCN=C=O
pubchem: 66988

trans-1-chloor-1-propeen
cas number: 36472-34-1
type: ChemicalCompound
iupac name: ['1-chloroprop-1-ene', '(E)-1-chloroprop-1-ene'] @en
formula: C3H5Cl
notation: t1Cl1C3e
inchikey: OWXJKYNZGFSVRC-NSCUHMNNSA-N
cas number: 16136-85-9
inchi: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+
broader: CHEMONTID_0002863
pubchem: 5284364
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: CC=CCl

2-oxepanon
cas number: 67184-99-0
type: ChemicalCompound
smiles: C1CCC(=O)OCC1
broader: CHEMONTID_0000050
formula: C6H10O2
cas number: 80137-66-2
notation: 2Oxepnn
iupac name: oxepan-2-one @en
in scheme: Conceptschema Chemische Stoffen
cas number: 24980-41-4
inchikey: PAPBSGBWRJIAAV-UHFFFAOYSA-N
cas number: 502-44-3
pubchem: 10401
inchi: InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
cas number: 52004-64-5
type: Concept
type: ChemicalSubstance

zirkonium
is referenced by: CMA 2 I B.1
cas number: 141631-77-8
inchikey: QCWXUUIWCKQGHC-UHFFFAOYSA-N
type: Concept
cas number: 7440-67-7
notation: Zr
iupac name: ZIRCONIUM @en
cas number: 141631-75-6
smiles: [Zr]
cas number: 182260-46-4
is referenced by: WAC III B 010
cas number: 141631-74-5
formula: Zr
inchi: InChI=1S/Zr
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 23995
broader: CHEMONTID_0000426

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

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

methyl diethyldithiocarbamaat
inchikey: JYRXPFCUABYLPD-UHFFFAOYSA-N
type: Concept
notation: C1yDC2yDtocb
type: ChemicalSubstance
pubchem: 12704
cas number: 686-07-7
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: methyl diethylaminomethanedithioate @en
formula: C6H13NS2
broader: CHEMONTID_0003936
inchi: InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3
smiles: CCN(CC)C(=S)SC

pyrimidifen
notation: pyrmdfn
type: ChemicalCompound
formula: C20H28ClN3O2
cas number: 105779-78-0
iupac name: 5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine @en
type: ChemicalSubstance
inchikey: ITKAIUGKVKDENI-UHFFFAOYSA-N
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)
broader: CHEMONTID_0000139
pubchem: 6451139
type: Concept
in scheme: Conceptschema Chemische Stoffen

4-ethylfenol
inchikey: HXDOZKJGKXYMEW-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 4C2yFol
cas number: 24979-70-2
broader: CHEMONTID_0004646
pubchem: 31242
type: ChemicalSubstance
type: Concept
inchi: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
smiles: CCC1=CC=C(C=C1)O
type: ChemicalCompound
cas number: 123-07-9
iupac name: 4-Ethylphenol @en
cas number: 29471-88-3
cas number: 101052-19-1
formula: C8H10O

2,3-dichloorpropanol
type: ChemicalSubstance
inchi: InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2
cas number: 616-23-9
broader: CHEMONTID_0002608
formula: C3H6Cl2O
smiles: C(C(CCl)Cl)O
cas number: 82890-22-0
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 2,3-Dichloropropan-1-ol @en
type: ChemicalCompound
notation: 23DClC3ol
pubchem: 12018
inchikey: ZXCYIJGIGSDJQQ-UHFFFAOYSA-N

benzoezuur
formula: C7H6O2
type: ChemicalCompound
pubchem: 243
inchi: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
cas number: 65-85-0
cas number: 8013-63-6
smiles: C1=CC=C(C=C1)C(=O)O
notation: benzezr
type: ChemicalSubstance
inchikey: WPYMKLBDIGXBTP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: benzoic acid @en
broader: CHEMONTID_0002565
type: Concept

ferbam
formula: C9H18FeN3S6
type: Concept
broader: CHEMONTID_0003997
smiles: CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3]
cas number: 14484-64-1
type: ChemicalCompound
cas number: 21696-59-3
cas number: 64070-92-4
iupac name: dimethylaminomethanedithioate; iron(+3) cation @en
in scheme: Conceptschema Chemische Stoffen
cas number: 301-05-3
cas number: 13494-27-4
notation: ferbm
type: ChemicalSubstance
inchikey: WHDGWKAJBYRJJL-UHFFFAOYSA-K
inchi: InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
pubchem: 26710

1,4,5,8-tetraamino-9,10-anthrachinon
cas number: 2475-45-8
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
formula: C14H12N4O2
broader: CHEMONTID_0000151
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
notation: 1458T4Ao910a
inchikey: JSFUMBWFPQSADC-UHFFFAOYSA-N
pubchem: 17190

3,5-dinitrotolueen
type: ChemicalCompound
pubchem: 12067
broader: CHEMONTID_0003969
inchikey: RUIFULUFLANOCI-UHFFFAOYSA-N
cas number: 618-85-9
type: ChemicalSubstance
formula: C7H6N2O4
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
smiles: CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
type: Concept
iupac name: 1-Methyl-3,5-dinitrobenzene @en
notation: 35DNO2Tol

cyaanguanidine
cas number: 139351-77-2
inchikey: QGBSISYHAICWAH-UHFFFAOYSA-N
formula: C2H4N4
notation: CNgandne
pubchem: 10005
broader: CHEMONTID_0000375
inchi: InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
cas number: 461-58-5
cas number: 157480-33-6
iupac name: 2-Cyanoguanidine @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: C(#N)N=C(N)N
cas number: 125148-58-5
type: Concept
cas number: 139351-78-3
type: ChemicalCompound

1,2-benzeendiamine dihydrochloride
formula: C6H10Cl2N2
notation: 12BenDAeDHCl
type: ChemicalCompound
cas number: 615-28-1
inchikey: RIIWUGSYXOBDMC-UHFFFAOYSA-N
smiles: C1=CC=C(C(=C1)N)N.Cl.Cl
inchi: InChI=1S/C6H8N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;2*1H
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: benzene-1,2-diamine dihydrochloride @en
type: ChemicalSubstance
broader: CHEMONTID_0000284
pubchem: 11990

mecarbam
type: ChemicalSubstance
iupac name: ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate @en
notation: mecbm
pubchem: 17434
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
formula: C10H20NO5PS2
inchikey: KLGMSAOQDHLCOS-UHFFFAOYSA-N
type: ChemicalCompound
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
type: Concept
smiles: CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
cas number: 2595-54-2

2-naftol
cas number: 1321-67-1
inchikey: JWAZRIHNYRIHIV-UHFFFAOYSA-N
formula: C10H8O
type: ChemicalSubstance
pubchem: 8663
type: Concept
inchi: InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
broader: CHEMONTID_0002441
iupac name: naphthalen-2-ol @en
notation: 2HOxNaf
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: C1=CC=C2C=C(C=CC2=C1)O
cas number: 135-19-3

monofenyltin
type: ChemicalCompound
cas number: 2406-68-0
in scheme: Conceptschema Chemische Stoffen
inchikey: JDWJZEXJARCHAT-UHFFFAOYSA-N
pubchem: 6335496
inchi: InChI=1S/C6H7.Sn/c1-2-4-6-5-3-1;/h1-5H,6H2;
type: ChemicalSubstance
iupac name: 1-cyclohexa-2,4-dienyltin @en
formula: C6H7Sn
broader: CHEMONTID_0004441
smiles: C1C=CC=CC1[Sn]
type: Concept

fenpropidin
type: ChemicalSubstance
formula: C19H31N
smiles: CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
notation: fenppdn
iupac name: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine @en
type: Concept
inchikey: MGNFYQILYYYUBS-UHFFFAOYSA-N
pubchem: 91694
broader: CHEMONTID_0002811
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 67306-00-7
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

natriummerthiolaat
iupac name: sodium (2-carboxylatophenyl)sulfanyl-ethylmercury @en
cas number: 11004-81-2
notation: Namtolt
type: ChemicalCompound
broader: CHEMONTID_0003106
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
inchikey: RTKIYNMVFMVABJ-UHFFFAOYSA-L
in scheme: Conceptschema Chemische Stoffen
smiles: CC[Hg+].C1=CC=C(C(=C1)C(=O)[O-])[S-].[Na+]
cas number: 8030-32-8
formula: C9H9HgNaO2S
cas number: 113170-85-7
type: ChemicalSubstance
cas number: 23065-35-2
cas number: 2141-27-7
cas number: 54-64-8
cas number: 25948-50-9
type: Concept
pubchem: 5908
cas number: 77536-61-9
cas number: 130995-49-2

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

clonazepam
notation: clonzpm
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
iupac name: 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one @en
broader: CHEMONTID_0004097
type: ChemicalSubstance
type: Concept
formula: C15H10ClN3O3
pubchem: 2802
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)
cas number: 106955-87-7
cas number: 1622-61-3
inchikey: DGBIGWXXNGSACT-UHFFFAOYSA-N

2,4-dinitrofenol
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O
iupac name: 2,4-Dinitrophenol @en
broader: CHEMONTID_0004505
inchikey: UFBJCMHMOXMLKC-UHFFFAOYSA-N
notation: 24DNO2Fol
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51-28-5
pubchem: 1493
formula: C6H4N2O5
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H

cis-permetryn
cas number: 57608-04-5
cas number: 61949-76-6
notation: cpermtn
notation: permtn
type: ChemicalSubstance
cas number: 93388-66-0
in scheme: Conceptschema Chemische Stoffen
alternative label: permethrin
cas number: 63364-00-1
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
cas number: 75497-64-2
broader: CHEMONTID_0001461
pubchem: 40463
cas number: 54774-45-7
cas number: 52645-53-1
type: ChemicalCompound
alternative label: cis-permethrin
iupac name: [3-(phenoxy)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
formula: C21H20Cl2O3
cas number: 60018-94-2
type: Concept
inchikey: RLLPVAHGXHCWKJ-HKUYNNGSSA-N

chroom 51
pubchem: 104786
notation: Cr51
inchi: InChI=1S/Cr/i1-1
in scheme: Conceptschema Chemische Stoffen
smiles: [Cr]
type: Concept
iupac name: chromium-51 @en
type: ChemicalCompound
inchikey: VYZAMTAEIAYCRO-BJUDXGSMSA-N
broader: CHEMONTID_0000426
cas number: 14392-02-0
type: ChemicalSubstance
formula: Cr

a-fenylethylamine
inchikey: RQEUFEKYXDPUSK-UHFFFAOYSA-N
notation: 1FyC2yAe
formula: C8H11N
type: ChemicalCompound
inchi: InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
type: ChemicalSubstance
broader: CHEMONTID_0003899
type: Concept
cas number: 618-36-0
iupac name: 1-Phenylethanamine @en
pubchem: 7408
smiles: CC(C1=CC=CC=C1)N
cas number: 98-84-0
in scheme: Conceptschema Chemische Stoffen
cas number: 3886-69-9

dichlofluanide
type: ChemicalSubstance
cas number: 1085-98-9
cas number: 90416-56-1
pubchem: 14145
type: Concept
type: ChemicalCompound
inchikey: WURGXGVFSMYFCG-UHFFFAOYSA-N
cas number: 12698-56-5
cas number: 56590-61-5
in scheme: Conceptschema Chemische Stoffen
formula: C9H11Cl2FN2O2S2
cas number: 79235-99-7
smiles: CN(C)S(=O)(=O)N(C1=CC=CC=C1)SC(F)(Cl)Cl
broader: CHEMONTID_0000038
notation: Dcfande
iupac name: N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)aniline @en

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

methylflamprop
type: ChemicalCompound
cas number: 52756-25-9
iupac name: methyl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate @en
inchikey: RBNIGDFIUWJJEV-UHFFFAOYSA-N
pubchem: 40521
formula: C17H15ClFNO3
notation: C1yfpp
broader: CHEMONTID_0004713
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

2-aminoethylpiperazine
inchi: InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2
notation: 2AoC2ypprzne
iupac name: 2-piperazin-1-ylethanamine @en
smiles: C1CN(CCN1)CCN
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003357
type: ChemicalSubstance
cas number: 140-31-8
inchikey: IMUDHTPIFIBORV-UHFFFAOYSA-N
type: ChemicalCompound
formula: C6H15N3
pubchem: 8795
type: Concept

chloordaan
cas number: 53637-13-1
type: ChemicalSubstance
cas number: 5103-71-9
cas number: 17436-70-3
cas number: 33442-85-2
cas number: 39400-80-1
type: Concept
cas number: 52917-96-1
alternative label: cis-chloordaan
iupac name: 1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene @en
inchikey: BIWJNBZANLAXMG-UHFFFAOYSA-N
alternative label: cis-chloordaan trans-chloordaan
alternative label: trans-chloordaan
type: ChemicalCompound
broader: CHEMONTID_0002863
cas number: 5103-74-2
pubchem: 5993
cas number: 28181-89-7
notation: cCldn
notation: Cldn
in scheme: Conceptschema Chemische Stoffen
cas number: 67672-92-8
cas number: 26703-86-6
cas number: 52002-35-4
cas number: 57-74-9
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
cas number: 12789-03-6
cas number: 28140-46-7
formula: C10H6Cl8
cas number: 22212-52-8
notation: tCldn

naftaleen-2,7-disulfonzuur
inchikey: VILFVXYKHXVYAB-UHFFFAOYSA-N
pubchem: 66707
type: Concept
notation: Naf27Dsfzr
broader: CHEMONTID_0003601
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)
cas number: 92-41-1
iupac name: Naphthalene-2,7-disulfonic acid @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

pyributicarb
inchikey: VTRWMTJQBQJKQH-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
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
broader: CHEMONTID_0002811
notation: pyrbtcb
in scheme: Conceptschema Chemische Stoffen
pubchem: 93486
cas number: 88678-67-5
type: ChemicalCompound

cefalonium
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C20H18N4O5S2
pubchem: 21743
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
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
type: ChemicalSubstance
broader: CHEMONTID_0000173
inchikey: FMZXNVLFJHCSAF-DNVCBOLYSA-N
cas number: 5575-21-3

3,5-dimethylpyridine
pubchem: 11565
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=CN=C1)C
formula: C7H9N
type: Concept
type: ChemicalCompound
inchikey: HWWYDZCSSYKIAD-UHFFFAOYSA-N
cas number: 591-22-0
notation: 35DC1yprdne
broader: CHEMONTID_0004152
inchi: InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
iupac name: 3,5-Dimethylpyridine @en

aluminiumfosfide
inchi: InChI=1S/Al.P/q+3;-3
type: Concept
broader: CHEMONTID_0000444
inchikey: PGCGUUGEUBFBPP-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 20859-73-8
iupac name: aluminum phosphorus(-3) anion @en
notation: AlP
type: ChemicalCompound
formula: AlP
in scheme: Conceptschema Chemische Stoffen
pubchem: 16126812
smiles: [Al+3].[P-3]

biperiden
type: ChemicalCompound
inchikey: YSXKPIUOCJLQIE-UHFFFAOYSA-N
cas number: 514-65-8
formula: C21H29NO
pubchem: 2381
broader: CHEMONTID_0003899
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: 1-(6-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol @en
type: Concept
notation: biprdn

kaliumdimethyldithiocarbamaat
broader: CHEMONTID_0004099
type: Concept
smiles: CN(C)C(=S)[S-].[K+]
notation: KDC1yDtocbmt
cas number: 81990-01-4
cas number: 128-03-0
inchikey: TVPFLPJBESCUKI-UHFFFAOYSA-M
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
in scheme: Conceptschema Chemische Stoffen
formula: C3H6KNS2
type: ChemicalSubstance
type: ChemicalCompound

3-chloor-2-methylaniline
notation: 3Cl2C1yAn
smiles: CC1=C(C=CC=C1Cl)N
broader: CHEMONTID_0003964
iupac name: 3-Chloro-2-methylaniline @en
formula: C7H8ClN
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 87-60-5
pubchem: 6894
inchikey: ZUVPLKVDZNDZCM-UHFFFAOYSA-N

tris(2,3-dibroompropyl)fosfaat
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: ['tris(2,3-dibromopropoxy)-hydroxyphosphanium', 'Tris(2,3-dibromopropyl) phosphate'] @en
cas number: 126-72-7
broader: CHEMONTID_0003460
type: Concept
notation: tris23DBrC3y
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
type: ChemicalCompound
cas number: 1867-14-7
formula: C9H15Br6O4P
cas number: 55962-48-6
cas number: 68112-30-1
pubchem: 31356
smiles: C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br
inchikey: PQYJRMFWJJONBO-UHFFFAOYSA-N

ciprofloxacine
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)
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid @en
notation: cipfxcne
inchikey: MYSWGUAQZAJSOK-UHFFFAOYSA-N
broader: CHEMONTID_0002552
type: Concept
type: ChemicalSubstance
formula: C17H18FN3O3
cas number: 85721-33-1
pubchem: 2764

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

dodecylbenzeen
type: ChemicalCompound
pubchem: 31237
iupac name: Dodecylbenzene @en
smiles: CCCCCCCCCCCCC1=CC=CC=C1
cas number: 28776-38-7
cas number: 68442-69-3
inchikey: KWKXNDCHNDYVRT-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0002279
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
in scheme: Conceptschema Chemische Stoffen
cas number: 123-01-3
notation: dodcBen
formula: C18H30
cas number: 29986-57-0

cupferron
inchikey: NJVHCUNZAMFQNA-UHFFFAOYSA-N
cas number: 21255-91-4
pubchem: 8664
smiles: C1=CC=C(C=C1)N(N=O)O.N
type: Concept
formula: C6H9N3O2
inchi: InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: azane; N-hydroxy-N-phenylnitrous amide @en
broader: CHEMONTID_0000113
cas number: 148-97-0
notation: cupfrn
cas number: 135-20-6
cas number: 7564-70-7
type: ChemicalSubstance

cis-11,14-eicosadieenzuur
cas number: 5598-38-9
pubchem: 6439848
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-
smiles: CCCCCC=CCC=CCCCCCCCCCC(=O)O
type: ChemicalCompound
notation: c1114C20aDzr
inchikey: XSXIVVZCUAHUJO-HZJYTTRNSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0002949
formula: C20H36O2
iupac name: (11Z,14Z)-icosa-11,14-dienoic acid @en
type: Concept

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

dysprosium
inchi: InChI=1S/Dy
type: Concept
inchikey: KBQHZAAAGSGFKK-UHFFFAOYSA-N
cas number: 123943-90-8
type: ChemicalCompound
alternative label: Dysprosium
type: ChemicalSubstance
pubchem: 23912
cas number: 7429-91-6
iupac name: DYSPROSIUM @en
broader: CHEMONTID_0000429
smiles: [Dy]
in scheme: Conceptschema Chemische Stoffen
formula: Dy
notation: Dy
cas number: 110123-47-2

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

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

paclobutrazol
cas number: 77108-06-6
inchikey: GHGCUYKTGPFCTK-LZOIJMLOSA-N
cas number: 66346-04-1
type: ChemicalSubstance
cas number: 76738-62-0
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: pacbtzl
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
type: ChemicalCompound
formula: C30H40Cl2N6O2
broader: CHEMONTID_0000188

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

hexadecafluorheptaan
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
formula: C7F16
inchikey: LGUZHRODIJCVOC-UHFFFAOYSA-N
iupac name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 9553
broader: CHEMONTID_0001517
notation: hexdcFC7a
cas number: 335-57-9
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
cas number: 156930-32-4

2-methyl-3-butyn-2-ol
notation: 2C1y3C4yn2ol
type: ChemicalCompound
inchi: InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
iupac name: 2-Methylbut-3-yn-2-ol @en
cas number: 115-19-5
cas number: 140705-79-9
smiles: CC(C)(C#C)O
type: Concept
type: ChemicalSubstance
cas number: 67539-62-2
in scheme: Conceptschema Chemische Stoffen
inchikey: CEBKHWWANWSNTI-UHFFFAOYSA-N
pubchem: 8258
formula: C5H8O
broader: CHEMONTID_0001373

bromuconazool
in scheme: Conceptschema Chemische Stoffen
inchikey: HJJVPARKXDDIQD-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole @en
type: ChemicalSubstance
pubchem: 3444
broader: CHEMONTID_0002564
notation: bromcnzl
type: Concept
formula: C13H12BrCl2N3O
cas number: 116255-48-2

morfine
in scheme: Conceptschema Chemische Stoffen
cas number: 6211-15-0
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
type: Concept
cas number: 92004-19-8
cas number: 57-27-2
notation: morfne
inchikey: XJIXIEBYTLLFCV-FAISOMDOSA-N
cas number: 66591-53-5
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
broader: CHEMONTID_0000058
type: ChemicalSubstance
formula: C17H31NO12S
type: ChemicalCompound

2,4-diamino-6-nitrotolueen
type: ChemicalSubstance
notation: 24DAo6NO2Tol
smiles: CC1=C(C=C(C=C1[N+](=O)[O-])N)N
pubchem: 96177
cas number: 6629-29-4
inchi: InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3
formula: C7H9N3O2
type: Concept
inchikey: DFZSBQYOXAUYCB-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0000036
in scheme: Conceptschema Chemische Stoffen
iupac name: 4-methyl-5-nitrobenzene-1,3-diamine @en

2,6-tolueendiisocyanaat
in scheme: Conceptschema Chemische Stoffen
cas number: 137091-34-0
broader: CHEMONTID_0003983
iupac name: 1,3-Diisocyanato-2-methylbenzene @en
type: ChemicalSubstance
cas number: 91-08-7
cas number: 9017-01-0
inchikey: RUELTTOHQODFPA-UHFFFAOYSA-N
pubchem: 7040
cas number: 168753-74-0
notation: 26TolDiCN
smiles: CC1=C(C=CC=C1N=C=O)N=C=O
formula: C9H6N2O2
cas number: 110839-12-8
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3

perfluor-n-hexaanzuur (pfhxa)
iupac name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid @en
type: ChemicalCompound
notation: PFHxA
pubchem: 67542
cas number: 307-24-4
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)
type: Concept
inchikey: PXUULQAPEKKVAH-UHFFFAOYSA-N
alternative label: perfluorhexaanzuur
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
alternative label: perfluor-n-hexaanzuur
alternative label: perfluorhexaanzuur (pfhxa)
type: ChemicalSubstance
formula: C6HF11O2

daidzeine
type: Concept
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
notation: daizine
broader: CHEMONTID_0000494
cas number: 486-66-8
type: ChemicalCompound
type: ChemicalSubstance
inchikey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N
iupac name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one @en
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
pubchem: 5281708

triadimenol-b
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
cas number: 82200-72-4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
alternative label: triadimenol-B
formula: C14H18ClN3O2
broader: CHEMONTID_0002341
iupac name: (1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol @en
inchikey: BAZVSMNPJJMILC-OLZOCXBDSA-N
type: ChemicalSubstance
notation: TadmnlB
type: Concept
pubchem: 93469

pencycuron
inchikey: OGYFATSSENRIKG-UHFFFAOYSA-N
type: Concept
pubchem: 91692
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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
notation: penccrn
formula: C19H21ClN2O
broader: CHEMONTID_0001099
type: ChemicalCompound
cas number: 66063-05-6

landrin
cas number: 12407-86-2
pubchem: 25550
broader: CHEMONTID_0004640
type: ChemicalCompound
alternative label: 2,3,5-trimethacarb
notation: 235Tmtcb
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)
notation: landn
cas number: 2655-15-4
iupac name: (2,3,5-trimethylphenyl) N-methylcarbamate @en
cas number: 58784-13-7
formula: C11H15NO2
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: NYOKZHDTNBDPOB-UHFFFAOYSA-N
type: ChemicalSubstance
smiles: CC1=CC(=C(C(=C1)OC(=O)NC)C)C

2,2',4,4'-tetrachloorbifenyl
formula: C12H6Cl4
cas number: 53469-21-9
cas number: 11104-29-3
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0003030
type: ChemicalCompound
type: ChemicalSubstance
cas number: 2437-79-8
inchikey: QORAVNMWUNPXAO-UHFFFAOYSA-N
type: Concept
pubchem: 17097
notation: PCB47
smiles: C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl

joxitalaminezuur
pubchem: 36637
type: ChemicalCompound
type: ChemicalSubstance
inchikey: PZTAFRMXSAAHMQ-UHFFFAOYSA-M
formula: C12H10I3N2NaO5
type: Concept
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
notation: joxtlmnzr
broader: CHEMONTID_0004361
iupac name: sodium 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoate @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NCCO)I.[Na+]
cas number: 33954-26-6
cas number: 28179-44-4

propineb
type: ChemicalSubstance
pubchem: 25506
type: Concept
type: ChemicalCompound
smiles: CC(CN=C(S)[S-])N=C(S)[S-].[Zn+2]
inchikey: KKMLIVYBGSAJPM-UHFFFAOYSA-L
notation: propnb
in scheme: Conceptschema Chemische Stoffen
cas number: 12071-83-9
iupac name: zinc [1-(sulfidocarbothioylamino)propan-2-ylamino]methanedithioate @en
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
broader: CHEMONTID_0003997

gadolinium
type: Concept
formula: Gd
iupac name: GADOLINIUM @en
inchi: InChI=1S/Gd
broader: CHEMONTID_0000429
cas number: 7440-54-2
pubchem: 23982
smiles: [Gd]
cas number: 87677-94-9
cas number: 110123-54-1
notation: Gd
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
inchikey: UIWYJDYFSGRHKR-UHFFFAOYSA-N

1-indanon
smiles: C1CC(=O)C2=CC=CC=C21
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 6735
inchikey: QNXSIUBBGPHDDE-UHFFFAOYSA-N
cas number: 30286-23-8
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
cas number: 83-33-0
formula: C9H8O
iupac name: 2,3-dihydroinden-1-one @en
broader: CHEMONTID_0001151
notation: 1indnn

4-cumylfenol
cas number: 28261-59-8
broader: CHEMONTID_0000369
formula: C15H16O
in scheme: Conceptschema Chemische Stoffen
cas number: 599-64-4
notation: 4cumFol
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
pubchem: 11742
type: Concept
type: ChemicalSubstance
smiles: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O
inchikey: QBDSZLJBMIMQRS-UHFFFAOYSA-N
type: ChemicalCompound
iupac name: 4-(2-phenylpropan-2-yl)phenol @en

dicloxacilline
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 3116-76-5
notation: Dcloxclne
inchikey: SIGZQNJITOWQEF-VICXVTCVSA-M
type: ChemicalCompound
formula: C19H18Cl2N3NaO6S
broader: CHEMONTID_0001189
cas number: 13412-64-1
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

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

1,2,3,4,7,8-hexachloordibenzodioxine
type: Concept
type: ChemicalCompound
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
formula: C12H2Cl6O2
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
inchikey: WCYYQNSQJHPVMG-UHFFFAOYSA-N
cas number: 39227-28-6
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
pubchem: 38251
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,7,8-hexachlorooxanthrene @en
broader: CHEMONTID_0000420
notation: PCDD66
comment: VLAR II+ bijlagen
alternative label: 1,2,3,4,7,8-hexachloordibenzodioxine (hxcdd)

tridemorf
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,6-Dimethyl-4-tridecylmorpholine @en
type: ChemicalCompound
type: Concept
inchikey: YTOPFCCWCSOHFV-UHFFFAOYSA-N
cas number: 24602-86-6
formula: C19H39NO
smiles: CCCCCCCCCCCCCN1CC(OC(C1)C)C
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
cas number: 81412-43-3
notation: Tdmf
broader: CHEMONTID_0000392
type: ChemicalSubstance
pubchem: 32518

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

microsystine-LA
inchikey: DIAQQISRBBDJIM-DRSCAGMXSA-N
formula: C46H67N7O12
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 96180-79-9
notation: MC-LA
broader: CHEMONTID_0002010
pubchem: 6437382
type: ChemicalSubstance

pentanochloor
cas number: 2307-68-8
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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
inchikey: WGVWLKXZBUVUAM-UHFFFAOYSA-N
broader: CHEMONTID_0001099
smiles: CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl
type: ChemicalCompound
formula: C13H18ClNO
notation: PenCl
pubchem: 16826

2,4,6-trichloorfenol
inchi: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
pubchem: 6914
notation: 246TClFol
type: Concept
type: ChemicalSubstance
smiles: C1=C(C=C(C(=C1Cl)O)Cl)Cl
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: LINPIYWFGCPVIE-UHFFFAOYSA-N
broader: CHEMONTID_0002772
formula: C6H3Cl3O
iupac name: 2,4,6-Trichlorophenol @en
cas number: 88-06-2

flamprop-m-isopropyl
type: Concept
type: ChemicalSubstance
notation: flampMiC3y
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
pubchem: 94583
type: ChemicalCompound
iupac name: propan-2-yl (2R)-2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate @en
cas number: 63782-90-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004713
formula: C19H19ClFNO3
inchikey: IKVXBIIHQGXQRQ-CYBMUJFWSA-N
alternative label: flamprop-M-isopropyl

florfenicol
type: ChemicalSubstance
formula: C12H14Cl2FNO4S
cas number: 73231-34-2
type: ChemicalCompound
pubchem: 114811
cas number: 81588-76-3
iupac name: 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: AYIRNRDRBQJXIF-NXEZZACHSA-N
broader: CHEMONTID_0004233
notation: florfncl
cas number: 76639-94-6

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

benzthiazuron
in scheme: Conceptschema Chemische Stoffen
smiles: CNC(=O)NC1=NC2=CC=CC=C2S1
inchikey: DTCJYIIKPVRVDD-UHFFFAOYSA-N
pubchem: 16007
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)
cas number: 1929-88-0
broader: CHEMONTID_0000311
type: ChemicalSubstance
iupac name: 1-(1,3-Benzothiazol-2-yl)-3-methylurea @en
type: ChemicalCompound
notation: benztazrn
type: Concept
formula: C9H9N3OS

C.I. Basic Red 1
iupac name: ethyl 2-(3-ethylamino-6-ethylimino-2,7-dimethylxanthen-9-yl)benzoate hydrochloride @en
alternative label: c.i. basic red 1
smiles: CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-]
notation: cibrd1
pubchem: 13806
type: ChemicalSubstance
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
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000200
formula: C28H31ClN2O3
type: ChemicalCompound
inchikey: VYXSBFYARXAAKO-UHFFFAOYSA-N
type: Concept
cas number: 989-38-8

waterstofperoxide
type: ChemicalSubstance
inchikey: MHAJPDPJQMAIIY-UHFFFAOYSA-N
cas number: 218625-72-0
in scheme: Conceptschema Chemische Stoffen
iupac name: hydrogen peroxide @en
notation: H2O2
cas number: 66554-50-5
cas number: 8007-30-5
type: ChemicalCompound
broader: CHEMONTID_0000434
cas number: 37355-84-3
formula: H2O2
type: Concept
inchi: InChI=1S/H2O2/c1-2/h1-2H
smiles: OO
cas number: 7722-84-1
pubchem: 784

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

10,11-dihydroxycarbamazepine
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 3564-73-6
iupac name: 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide @en
broader: CHEMONTID_0000320
pubchem: 19099
notation: 1011DHcbmzpn
smiles: C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N
formula: C15H14N2O
type: ChemicalCompound
inchikey: PHNLCHMJDSSPDQ-UHFFFAOYSA-N
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)
type: Concept

merfos
inchi: InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
notation: merfs
type: ChemicalCompound
formula: C12H27PS3
cas number: 150-50-5
pubchem: 9011
broader: CHEMONTID_0001438
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCSP(SCCCC)SCCCC
iupac name: tris(butylsulfanyl)phosphane @en
inchikey: KLAPGAOQRZTCBI-UHFFFAOYSA-N
type: Concept

lisinopril
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
cas number: 83915-83-7
cas number: 76547-98-3
type: Concept
formula: C21H35N3O7
notation: lisnpl
type: ChemicalCompound
broader: CHEMONTID_0004830
inchikey: CZRQXSDBMCMPNJ-ZUIPZQNBSA-N
type: ChemicalSubstance
cas number: 82009-35-6
in scheme: Conceptschema Chemische Stoffen

1,2,2-trichloorfluorethaan (fc-131)
iupac name: 1,1,2-TRICHLORO-2-FLUOROETHANE @en
in scheme: Conceptschema Chemische Stoffen
inchikey: ORMSTDJYMPIZAO-UHFFFAOYSA-N
broader: CHEMONTID_0001517
type: ChemicalSubstance
alternative label: 1,2,2-trichloorfluorethaan (Fc-131)
smiles: C(C(Cl)Cl)(F)Cl
cas number: 134237-34-6
type: ChemicalCompound
pubchem: 9666
cas number: 359-28-4
type: Concept
inchi: InChI=1S/C2H2Cl3F/c3-1(4)2(5)6/h1-2H
formula: C2H2Cl3F
notation: HCFK131

americium 242
broader: CHEMONTID_0000430
type: ChemicalCompound
pubchem: 166958
in scheme: Conceptschema Chemische Stoffen
inchikey: LXQXZNRPTYVCNG-BJUDXGSMSA-N
type: ChemicalSubstance
cas number: 13981-54-9
notation: Am242
inchi: InChI=1S/Am/i1-1
type: Concept
formula: Am
iupac name: americium-242 @en
smiles: [Am]

perchloormethylmercaptan
inchikey: RYFZYYUIAZYQLC-UHFFFAOYSA-N
formula: CCl4S
broader: CHEMONTID_0004160
smiles: C(SCl)(Cl)(Cl)Cl
inchi: InChI=1S/CCl4S/c2-1(3,4)6-5
in scheme: Conceptschema Chemische Stoffen
cas number: 20434-91-7
type: ChemicalCompound
type: Concept
pubchem: 11666
iupac name: trichloromethyl thiohypochlorite @en
type: ChemicalSubstance
notation: perClC1ymctn
cas number: 594-42-3

dibroomacetonitril
in scheme: Conceptschema Chemische Stoffen
inchikey: NDSBDLSWTGLNQA-UHFFFAOYSA-N
inchi: InChI=1S/C2HBr2N/c3-2(4)1-5/h2H
cas number: 3252-43-5
notation: DBractntl
pubchem: 18617
type: Concept
broader: CHEMONTID_0000362
smiles: C(#N)C(Br)Br
type: ChemicalCompound
iupac name: 2,2-dibromoacetonitrile @en
type: ChemicalSubstance
formula: C2HBr2N

ethyleendiaminetetraethaanzuur (edta)
cas number: 10058-42-1
cas number: 30485-87-1
alternative label: ethyleendiaminetetraethaanzuur (EDTA)
cas number: 13440-78-3
type: Concept
smiles: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
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)
pubchem: 6049
alternative label: ethyleendiaminetetra-azijnzuur
inchikey: KCXVZYZYPLLWCC-UHFFFAOYSA-N
cas number: 94108-75-5
notation: EDTA
iupac name: 2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid @en
cas number: 32757-10-1
formula: C10H16N2O8
cas number: 161122-33-4
cas number: 60-00-4
type: ChemicalSubstance
cas number: 30485-88-2
cas number: 20539-27-9
cas number: 26627-46-3
broader: CHEMONTID_0002966
cas number: 30485-90-6

rabeprazol
iupac name: 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole @en
formula: C18H21N3O3S
type: Concept
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)
broader: CHEMONTID_0001891
pubchem: 5029
type: ChemicalCompound
cas number: 117976-89-3
inchikey: YREYEVIYCVEVJK-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

ethanol
smiles: CCO
cas number: 64-17-5
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
inchikey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
pubchem: 702
cas number: 121182-78-3
cas number: 68475-56-9
is referenced by: LUC IV 012
type: ChemicalSubstance
inchi: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
formula: C2H6O
is referenced by: LUC IV 000
cas number: 71076-86-3
broader: CHEMONTID_0000286
cas number: 8000-16-6
is referenced by: LUC IV 009
cas number: 71329-38-9
type: Concept
notation: C2OH
iupac name: ethanol @en
comment: VLAR II Art 5.23.1.1.
cas number: 8024-45-1

tribroommethaan
cas number: 75-25-2
broader: CHEMONTID_0004160
in scheme: Conceptschema Chemische Stoffen
notation: TBrC1a
alternative label: bromoform
iupac name: Bromoform @en
smiles: C(Br)(Br)Br
type: ChemicalCompound
formula: CHBr3
inchi: InChI=1S/CHBr3/c2-1(3)4/h1H
inchikey: DIKBFYAXUHHXCS-UHFFFAOYSA-N
type: Concept
cas number: 4471-18-5
pubchem: 5558
type: ChemicalSubstance

paracetamol
type: ChemicalSubstance
cas number: 8055-08-1
iupac name: N-(4-Hydroxyphenyl)acetamide @en
inchikey: RZVAJINKPMORJF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004646
smiles: CC(=O)NC1=CC=C(C=C1)O
cas number: 103-90-2
type: Concept
pubchem: 1983
notation: parctml
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)
type: ChemicalCompound

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

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

butylbenzeen
alternative label: n-butylbenzeen
broader: CHEMONTID_0002279
inchi: InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
pubchem: 7705
in scheme: Conceptschema Chemische Stoffen
notation: C4yBen
type: Concept
smiles: CCCCC1=CC=CC=C1
cas number: 104-51-8
formula: C10H14
cas number: 74296-32-5
inchikey: OCKPCBLVNKHBMX-UHFFFAOYSA-N
iupac name: Butylbenzene @en
type: ChemicalSubstance
type: ChemicalCompound

metaldehyde
pubchem: 61021
formula: C8H16O4
type: ChemicalSubstance
iupac name: 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane @en
inchi: InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3
type: ChemicalCompound
cas number: 108-62-3
notation: mAh
broader: CHEMONTID_0001656
inchikey: GKKDCARASOJPNG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CC1OC(OC(OC(O1)C)C)C
type: Concept

tin 113
inchikey: ATJFFYVFTNAWJD-VENIDDJXSA-N
formula: Sn
type: ChemicalCompound
inchi: InChI=1S/Sn/i1-6
type: Concept
cas number: 13966-06-8
pubchem: 6335514
iupac name: tin-113 @en
notation: Sn113
broader: CHEMONTID_0000427
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: [Sn]

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

1-methyl-4-(1-methylethenyl)-,(s)-cyclohexeen
inchikey: XMGQYMWWDOXHJM-SNVBAGLBSA-N
iupac name: (4S)-1-methyl-4-prop-1-en-2-ylcyclohexene @en
alternative label: 1-methyl-4-(1-methylethenyl)-,(S)-cyclohexeen
pubchem: 439250
type: ChemicalCompound
type: ChemicalSubstance
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
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: CC1=CCC(CC1)C(=C)C
broader: CHEMONTID_0001401
cas number: 5989-54-8
notation: 1C1y41C1yetn
formula: C10H16

magnesiumoxide
formula: MgO
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
type: ChemicalCompound
smiles: O=[Mg]
type: ChemicalSubstance
notation: MgO
inchikey: CPLXHLVBOLITMK-UHFFFAOYSA-N
cas number: 52933-73-0
inchi: InChI=1S/Mg.O
broader: CHEMONTID_0000546
in scheme: Conceptschema Chemische Stoffen
pubchem: 14792
type: Concept
iupac name: oxomagnesium @en

sulfapyridine
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)
inchikey: GECHUMIMRBOMGK-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept
formula: C11H11N3O2S
iupac name: 4-amino-N-pyridin-2-ylbenzenesulfonamide @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 5336
smiles: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
notation: sulfprdne
cas number: 144-83-2
broader: CHEMONTID_0001925

PCB-153
type: Concept
in scheme: Conceptschema Chemische Stoffen
is referenced by: CMA 3 I
is referenced by: LUC VI 002
alternative label: 2,2',4,4',5,5'-hexachloorbifenyl
inchikey: MVWHGTYKUMDIHL-UHFFFAOYSA-N
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
pubchem: 37034
alternative label: pcb 153
notation: PCB153
iupac name: 1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene @en
alternative label: 2,2',4,4',5,5'-hexachloorbifenyl (pcb153)
formula: C12H4Cl6
cas number: 35065-27-1
type: ChemicalCompound
type: ChemicalSubstance
alternative label: pcb-153
broader: CHEMONTID_0003030

2,3,4,6-tetrachlooraniline
broader: CHEMONTID_0000284
formula: C6H3Cl4N
notation: 2346T4ClAn
iupac name: 2,3,4,6-Tetrachloroaniline @en
inchi: InChI=1S/C6H3Cl4N/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2
inchikey: LXCLPHJRGDTDDB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 654-36-4
type: ChemicalSubstance
type: Concept
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)N)Cl
pubchem: 3013925

temazepam
cas number: 846-50-4
type: ChemicalCompound
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
broader: CHEMONTID_0004097
type: Concept
inchikey: SEQDDYPDSLOBDC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 5391
notation: temzpm
type: ChemicalSubstance
iupac name: 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one @en

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

perfluoroctaansulfonamide
type: ChemicalSubstance
broader: CHEMONTID_0003960
cas number: 754-91-6
alternative label: perfluoroctaansulfonamide (pfosa)
pubchem: 69785
alternative label: perfluor-n-octaansulfonamide
formula: C8H2F17NO2S
inchikey: RRRXPPIDPYTNJG-UHFFFAOYSA-N
notation: PFOSA
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide @en
type: ChemicalCompound
type: Concept
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)
in scheme: Conceptschema Chemische Stoffen

broomfenoxim
notation: Brfnxm
broader: CHEMONTID_0000036
type: Concept
pubchem: 5360414
inchikey: VTQWKUZUPOTXEH-UHFFFAOYSA-N
formula: C13H7Br2N3O6
cas number: 13181-17-4
type: ChemicalSubstance
type: ChemicalCompound
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ONC=C2C=C(C(=O)C(=C2)Br)Br
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
in scheme: Conceptschema Chemische Stoffen

fenothiocarb
inchikey: HMIBKHHNXANVHR-UHFFFAOYSA-N
formula: C13H19NO2S
notation: gentocb
iupac name: S-[4-(phenoxy)butyl] dimethylaminomethanethioate @en
cas number: 62850-32-2
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
type: ChemicalCompound
smiles: CN(C)C(=O)SCCCCOC1=CC=CC=C1
type: Concept
pubchem: 44178
type: ChemicalSubstance
broader: CHEMONTID_0002341
in scheme: Conceptschema Chemische Stoffen

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

N,N-dimethyl-N'-fenylsulfamide
broader: CHEMONTID_0000038
type: Concept
smiles: CN(C)S(=O)(=O)NC1=CC=CC=C1
type: ChemicalSubstance
formula: C8H12N2O2S
iupac name: (dimethylsulfamoylamino)benzene @en
notation: NNDC1yNFysAd
cas number: 4710-17-2
inchi: InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3
pubchem: 78441
in scheme: Conceptschema Chemische Stoffen
inchikey: QCDQDISRALTLNQ-UHFFFAOYSA-N
type: ChemicalCompound
alternative label: n,n-dimethyl-n'-fenylsulfamide

1-chloorpentaan
cas number: 543-59-9
type: Concept
inchi: InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3
cas number: 29656-63-1
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001516
inchikey: SQCZQTSHSZLZIQ-UHFFFAOYSA-N
pubchem: 10977
type: ChemicalSubstance
notation: 1ClC5a
smiles: CCCCCCl
iupac name: 1-Chloropentane @en
formula: C5H11Cl

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

broomoxynil-octanoaat
inchikey: DQKWXTIYGWPGOO-UHFFFAOYSA-N
smiles: CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br
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
notation: BrOxnOcnat
iupac name: (2,6-dibromo-4-cyanophenyl) octanoate @en
cas number: 33964-24-8
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 86702-80-9
pubchem: 15533
formula: C15H17Br2NO2
cas number: 1689-99-2
type: ChemicalCompound
broader: CHEMONTID_0002319
type: ChemicalSubstance

1,1,2-trichloorethaan
smiles: C(C(Cl)Cl)Cl
type: ChemicalSubstance
pubchem: 6574
iupac name: 1,1,2-TRICHLOROETHANE @en
formula: C2H3Cl3
broader: CHEMONTID_0001516
is referenced by: LUC IV 000
type: Concept
inchikey: UBOXGVDOUJQMTN-UHFFFAOYSA-N
notation: 112TClC2a
type: ChemicalCompound
is referenced by: LUC IV 002
cas number: 79-00-5
is referenced by: LUC IV 011
inchi: InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II bijl. 4.4.2

3-methyl-2-pentanon
notation: 3C1y2C5on
broader: CHEMONTID_0000118
type: Concept
pubchem: 11262
iupac name: 3-METHYLPENTAN-2-ONE @en
cas number: 565-61-7
inchikey: UIHCLUNTQKBZGK-UHFFFAOYSA-N
formula: C6H12O
smiles: CCC(C)C(=O)C
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3

2,3-dinitrotolueen
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: 23DNO2Tol
inchikey: DYSXLQBUUOPLBB-UHFFFAOYSA-N
cas number: 602-01-7
iupac name: 1-Methyl-2,3-dinitrobenzene @en
inchi: InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
broader: CHEMONTID_0003969
smiles: CC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-]
pubchem: 11761
type: Concept
formula: C7H6N2O4
type: ChemicalSubstance

4,6-dinitro-o-cresol
type: ChemicalCompound
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
type: ChemicalSubstance
cas number: 534-52-1
in scheme: Conceptschema Chemische Stoffen
cas number: 53240-95-2
cas number: 37359-43-6
inchikey: ZXVONLUNISGICL-UHFFFAOYSA-N
smiles: CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
cas number: 8071-51-0
formula: C7H6N2O5
pubchem: 10800
cas number: 8068-73-3
type: Concept
notation: DNOC
broader: CHEMONTID_0004505

perfluortridecaanzuur (pftrda)
inchikey: LVDGGZAZAYHXEY-UHFFFAOYSA-N
type: ChemicalSubstance
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)
notation: PFTDA
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
alternative label: perfluor-n-tridecaanzuur (pftrda)
notation: PFTrDA
alternative label: perfluortridecaanzuur
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 72629-94-8
pubchem: 3018355
broader: CHEMONTID_0002949

terbutaline
in scheme: Conceptschema Chemische Stoffen
pubchem: 5403
type: ChemicalCompound
cas number: 46719-29-3
formula: C12H19NO3
iupac name: 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol @en
cas number: 23031-25-6
type: Concept
type: ChemicalSubstance
smiles: CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O
notation: terbtlne
inchikey: XWTYSIMOBUGWOL-UHFFFAOYSA-N
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
broader: CHEMONTID_0000137

2,4'-methoxychloor
inchikey: KNLLPAOBVIKLDE-UHFFFAOYSA-N
formula: C16H15Cl3O2
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
notation: 24C1oxCl
iupac name: 1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene @en
pubchem: 35405
broader: CHEMONTID_0000369
type: ChemicalCompound
cas number: 30667-99-3
type: Concept

beta-heptachloorepoxide
type: ChemicalCompound
iupac name: 1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene @en
cas number: 66240-71-9
type: ChemicalSubstance
inchikey: ZXFXBSWRVIQKOD-UHFFFAOYSA-N
broader: CHEMONTID_0002012
cas number: 28044-82-8
alternative label: cis-heptachloorepoxyde
formula: C10H5Cl7O
cas number: 1024-57-3
cas number: 4067-30-5
cas number: 24717-72-4
cas number: 24699-42-1
notation: cHpClepO
alternative label: cis-heptachloorepoxide
type: Concept
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
pubchem: 13930
in scheme: Conceptschema Chemische Stoffen

tricosaan
iupac name: Tricosane @en
smiles: CCCCCCCCCCCCCCCCCCCCCCC
cas number: 638-67-5
pubchem: 12534
formula: C23H48
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002500
type: ChemicalCompound
notation: C23a
inchikey: FIGVVZUWCLSUEI-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance

ijzer (driewaardig)
inchikey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
formula: Fe+3
cas number: 20074-52-6
type: ChemicalSubstance
broader: CHEMONTID_0000426
in scheme: Conceptschema Chemische Stoffen
iupac name: iron(+3) cation @en
notation: FeIII
type: ChemicalCompound
smiles: [Fe+3]
inchi: InChI=1S/Fe/q+3
pubchem: 29936
type: Concept

7-desmethylmicrocystine-lr
broader: CHEMONTID_0002010
formula: C48H72N10O12
cas number: 134842-07-2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
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
alternative label: 7-desmethylmicrocystine-LR
inchikey: WLWITBHAANNFHV-YNYQYFAYSA-N
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
type: Concept
type: ChemicalSubstance
pubchem: 6441244
notation: dmMC-LR

ethoxyethylacetaat
type: Concept
pubchem: 8095
cas number: 111-15-9
in scheme: Conceptschema Chemische Stoffen
notation: C2oxC2yactt
formula: C6H12O3
type: ChemicalSubstance
inchi: InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
inchikey: SVONRAPFKPVNKG-UHFFFAOYSA-N
iupac name: 2-Ethoxyethyl acetate @en
type: ChemicalCompound
broader: CHEMONTID_0001238
smiles: CCOCCOC(=O)C

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

4-chloorfenyl fenylsulfon
cas number: 80-00-2
type: Concept
type: ChemicalSubstance
cas number: 8012-45-1
type: ChemicalCompound
pubchem: 6621
in scheme: Conceptschema Chemische Stoffen
notation: 4ClFyFysfn
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
inchikey: OFCFYWOKHPOXKF-UHFFFAOYSA-N
broader: CHEMONTID_0004233
iupac name: 1-chloro-4-phenylsulfonylbenzene @en
smiles: C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl

4-methylcyclohexanon
is referenced by: LUC IV 000
comment: VLAR II bijl. 4.4.2
alternative label: methylcyclohexanon
smiles: CC1CCC(=O)CC1
type: ChemicalSubstance
broader: CHEMONTID_0003487
inchi: InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
notation: 4Cy1cycC6on
type: Concept
formula: C7H12O
is referenced by: LUC IV 007
pubchem: 11525
type: ChemicalCompound
inchikey: VGVHNLRUAMRIEW-UHFFFAOYSA-N
cas number: 1331-22-2
cas number: 589-92-4
iupac name: 4-methylcyclohexan-1-one @en
in scheme: Conceptschema Chemische Stoffen

2,3,7,8-tetrachloordibenzo-p-dioxine
alternative label: 2,3,7,8-tetrachloordibenzodioxine
comment: VLAR II+ bijlagen
is referenced by: LUC VI 002
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
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
alternative label: 2,3,7,8-tetrachloordibenzodioxine (tcdd)
broader: CHEMONTID_0000420
pubchem: 15625
type: ChemicalCompound
formula: C12H4Cl4O2
cas number: 56795-67-6
cas number: 1746-01-6
in scheme: Conceptschema Chemische Stoffen
notation: PCDD48
type: ChemicalSubstance
iupac name: 2,3,7,8-tetrachlorooxanthrene @en
inchikey: HGUFODBRKLSHSI-UHFFFAOYSA-N
type: Concept

broomdichloorazijnzuur
broader: CHEMONTID_0003000
notation: BrDClHAc
cas number: 71133-14-7
pubchem: 114809
type: ChemicalCompound
formula: C2HBrCl2O2
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-bromo-2,2-dichloroacetic acid @en
type: ChemicalSubstance
type: Concept
smiles: C(=O)(C(Cl)(Cl)Br)O
inchi: InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)
inchikey: XSWVFEQKZFUULO-UHFFFAOYSA-N

thioacetamide
type: ChemicalCompound
type: Concept
notation: toacAd
iupac name: Ethanethioamide @en
cas number: 1482-80-0
inchikey: YUKQRDCYNOVPGJ-UHFFFAOYSA-N
broader: CHEMONTID_0000510
cas number: 62-55-5
in scheme: Conceptschema Chemische Stoffen
pubchem: 6117
smiles: CC(=N)S
inchi: InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
type: ChemicalSubstance
formula: C2H5NS

lamotrigine
notation: lamtgne
type: Concept
broader: CHEMONTID_0002564
smiles: C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N
type: ChemicalSubstance
cas number: 84057-84-1
iupac name: 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine @en
pubchem: 3878
formula: C9H7Cl2N5
inchikey: PYZRQGJRPPTADH-UHFFFAOYSA-N
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)
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

edifenfos
inchikey: AWZOLILCOUMRDG-UHFFFAOYSA-N
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
cas number: 17109-49-8
type: Concept
pubchem: 28292
formula: C14H15O2PS2
type: ChemicalCompound
notation: edffs
smiles: CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279
type: ChemicalSubstance

hafnium
inchikey: VBJZVLUMGGDVMO-UHFFFAOYSA-N
inchi: InChI=1S/Hf
broader: CHEMONTID_0000426
cas number: 7440-58-6
in scheme: Conceptschema Chemische Stoffen
iupac name: HAFNIUM @en
cas number: 412316-00-8
type: Concept
pubchem: 23986
notation: Hf
smiles: [Hf]
type: ChemicalSubstance
formula: Hf
type: ChemicalCompound

oxacilline
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
notation: Oaclne
pubchem: 6196
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 66-79-5
inchikey: UWYHMGVUTGAWSP-JKIFEVAISA-N
type: Concept
broader: CHEMONTID_0004830

dipropylamine
pubchem: 8902
smiles: CCCNCCC
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
broader: CHEMONTID_0002228
type: Concept
notation: DC3yAe
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
inchikey: WEHWNAOGRSTTBQ-UHFFFAOYSA-N
cas number: 142-84-7

3-methylheptaan
type: Concept
type: ChemicalSubstance
pubchem: 11519
inchikey: LAIUFBWHERIJIH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCC(C)CC
type: ChemicalCompound
cas number: 116502-43-3
iupac name: 3-Methylheptane @en
cas number: 589-81-1
formula: C8H18
inchi: InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
broader: CHEMONTID_0004620
notation: 3C1yC7a

octadecaanzuur
iupac name: Octadecanoic acid @en
broader: CHEMONTID_0002949
pubchem: 5281
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
type: ChemicalSubstance
notation: C18azr
cas number: 57-11-4
cas number: 30399-84-9
cas number: 8037-40-9
type: ChemicalCompound
cas number: 68937-76-8
cas number: 57485-56-0
cas number: 8023-06-1
cas number: 8037-83-0
formula: C18H36O2
in scheme: Conceptschema Chemische Stoffen
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)
cas number: 8013-28-3
cas number: 8039-54-1
smiles: CCCCCCCCCCCCCCCCCC(=O)O
type: Concept
inchikey: QIQXTHQIDYTFRH-UHFFFAOYSA-N
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

doxycycline
inchikey: KWOLJWUETSQNHB-CFLUDCDHSA-N
type: ChemicalCompound
broader: CHEMONTID_0000181
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
pubchem: 5488501
type: ChemicalSubstance
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
notation: doxccne
cas number: 564-25-0
formula: C22H29ClN2O10
cas number: 69935-17-7

C.I. Food Red 5
iupac name: disodium (4E)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,6-disulfonate @en
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+;;
type: Concept
alternative label: c.i. food red 5
inchikey: OIQRYZXXBZHDRY-NNIZZXHBSA-L
cas number: 7481-49-4
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C18H14N2Na2O7S2
notation: cifrd5
cas number: 64553-71-5
cas number: 3761-53-3
pubchem: 6321395

methyloctacosanoaat
type: ChemicalCompound
notation: C1yC28aoat
broader: CHEMONTID_0003417
iupac name: METHYL OCTACOSANOATE @en
formula: C29H58O2
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 41518
type: ChemicalSubstance
cas number: 55682-92-3
inchikey: ZKHOYAKAFALNQD-UHFFFAOYSA-N

azacyclotridecan-2-on
inchi: InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
type: ChemicalSubstance
notation: azccC13on2
formula: C12H23NO
cas number: 947-04-6
cas number: 25038-74-8
cas number: 115296-76-9
iupac name: 1-azacyclotridecan-2-one @en
broader: CHEMONTID_0000064
cas number: 125081-69-8
type: Concept
cas number: 161865-23-2
smiles: C1CCCCCC(=O)NCCCCC1
inchikey: JHWNWJKBPDFINM-UHFFFAOYSA-N
pubchem: 13690
cas number: 148308-40-1
cas number: 115296-77-0
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 70099-82-0

zilver 111
pubchem: 161148
inchi: InChI=1S/Ag/i1+3
type: Concept
iupac name: silver-111 @en
type: ChemicalSubstance
type: ChemicalCompound
smiles: [Ag]
notation: Ag111
formula: Ag
cas number: 15760-04-0
broader: CHEMONTID_0000426
inchikey: BQCADISMDOOEFD-AKLPVKDBSA-N
in scheme: Conceptschema Chemische Stoffen

foraat-sulfoxide
type: ChemicalSubstance
cas number: 2588-03-6
inchi: InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3
pubchem: 17424
notation: forsfOxd
type: Concept
smiles: CCOP(=S)(OCC)SCS(=O)CC
inchikey: XRQHTUDGPWMPKX-UHFFFAOYSA-N
iupac name: diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidenephosphorane @en
broader: CHEMONTID_0004164
in scheme: Conceptschema Chemische Stoffen
formula: C7H17O3PS3
type: ChemicalCompound

alkyl(C10-C13)benzeen
alternative label: alkyl(c10-c13)benzeen
cas number: 6742-54-7
inchikey: XBEADGFTLHRJRB-UHFFFAOYSA-N
formula: C17H28
smiles: CCCCCCCCCCCC1=CC=CC=C1
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002279
type: ChemicalCompound
cas number: 67774-74-7
pubchem: 23194
cas number: 129813-58-7
iupac name: Undecylbenzene @en
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
type: ChemicalSubstance
cas number: 29463-63-6
notation: alkC10C13Ben

thiram
cas number: 56645-31-9
cas number: 39456-80-9
formula: C6H12N2S4
inchi: InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
type: Concept
notation: thirm
broader: CHEMONTID_0004791
cas number: 66173-72-6
iupac name: dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate @en
cas number: 137-26-8
inchikey: KUAZQDVKQLNFPE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)C(=S)SSC(=S)N(C)C
pubchem: 5455
cas number: 93196-73-7
type: ChemicalSubstance
cas number: 12680-62-5
type: ChemicalCompound
cas number: 12680-07-8

ketoprofen
in scheme: Conceptschema Chemische Stoffen
cas number: 22161-86-0
type: Concept
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)
smiles: CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
type: ChemicalSubstance
pubchem: 3825
cas number: 172964-50-0
notation: ketpfn
type: ChemicalCompound
inchikey: DKYWVDODHFEZIM-UHFFFAOYSA-N
broader: CHEMONTID_0000120
formula: C16H14O3
iupac name: 2-[3-(benzoyl)phenyl]propanoic acid @en
cas number: 22071-15-4

bismuth 210
type: ChemicalSubstance
pubchem: 6328547
smiles: [Bi]
inchikey: JCXGWMGPZLAOME-OUBTZVSYSA-N
inchi: InChI=1S/Bi/i1+1
formula: Bi
iupac name: bismuth-210 @en
broader: CHEMONTID_0000427
cas number: 14331-79-4
type: ChemicalCompound
notation: Bi210
type: Concept
in scheme: Conceptschema Chemische Stoffen

4-chloorfenyl fenylether
type: ChemicalSubstance
formula: C12H9ClO
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
pubchem: 23436
notation: 4ClFyFyEtr
inchikey: PGPNJCAMHOJTEF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-chloro-4-(phenoxy)benzene @en
broader: CHEMONTID_0004155
cas number: 7005-72-3
smiles: C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
cas number: 55398-86-2

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

ethyleendiamine
smiles: C(CN)N
inchikey: PIICEJLVQHRZGT-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 460-19-5
type: ChemicalSubstance
cas number: 15808-32-9
broader: CHEMONTID_0000469
cas number: 27308-78-7
cas number: 8030-24-8
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
cas number: 107-15-3
formula: C2H8N2
type: Concept
cas number: 68845-05-6
cas number: 85404-18-8
notation: C2yeDAe
cas number: 211750-61-7
iupac name: ['ethane-1,2-diamine', 'ethyne-1,2-diamine', 'Oxalonitrile'] @en
pubchem: 3301
cas number: 2074-87-5

2-methyl-1-propanal
smiles: CC(C)C=O
type: Concept
inchikey: AMIMRNSIRUDHCM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-Methylpropanal @en
broader: CHEMONTID_0002230
notation: 2C1y1C3al
formula: C4H8O
type: ChemicalCompound
pubchem: 6561
inchi: InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
cas number: 78-84-2
cas number: 26140-46-5
type: ChemicalSubstance

2-methoxynaftaleen
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 7119
smiles: COC1=CC2=CC=CC=C2C=C1
type: ChemicalCompound
broader: CHEMONTID_0000023
cas number: 93-04-9
inchikey: LUZDYPLAQQGJEA-UHFFFAOYSA-N
formula: C11H10O
notation: 2C1oxNaf
type: ChemicalSubstance
iupac name: 2-Methoxynaphthalene @en
inchi: InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3

radium 224
type: ChemicalCompound
notation: Ra224
broader: CHEMONTID_0000428
cas number: 13233-32-4
type: ChemicalSubstance
formula: Ra
iupac name: radium-224 @en
smiles: [Ra]
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Ra/i1-2
pubchem: 6328538
inchikey: HCWPIIXVSYCSAN-YPZZEJLDSA-N

fenoprofen
in scheme: Conceptschema Chemische Stoffen
notation: fenpfn
broader: CHEMONTID_0004155
type: ChemicalCompound
inchikey: RDJGLLICXDHJDY-UHFFFAOYSA-N
smiles: CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O
pubchem: 3342
formula: C15H14O3
cas number: 31879-05-7
cas number: 29679-58-1
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)
type: ChemicalSubstance
type: Concept
iupac name: 2-[3-(phenoxy)phenyl]propanoic acid @en

1,3-dinitrobenzeen
notation: 13DNO2Ben
formula: C6H4N2O4
iupac name: 1,3-Dinitrobenzene @en
broader: CHEMONTID_0000036
cas number: 99-65-0
type: ChemicalCompound
type: ChemicalSubstance
smiles: C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
inchi: InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
pubchem: 7452
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: WDCYWAQPCXBPJA-UHFFFAOYSA-N

dipropyleenglycol
pubchem: 6537503
type: ChemicalSubstance
broader: CHEMONTID_0001092
inchikey: QYSXYAURTRCDJU-UHFFFAOYSA-N
iupac name: 1-(1-hydroxypropoxy)propan-1-ol @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 25265-71-8
smiles: CCC(O)OC(CC)O
notation: DC3eygcl
formula: C6H14O3
type: Concept
inchi: InChI=1S/C6H14O3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3

1,5,9-cyclododecatrieen
broader: CHEMONTID_0002840
smiles: C1CC=CCCC=CCCC=C1
in scheme: Conceptschema Chemische Stoffen
iupac name: (1Z,5E,9Z)-cyclododeca-1,5,9-triene @en
inchikey: ZOLLIQAKMYWTBR-UDIJVJLMSA-N
notation: 159ccddcten
cas number: 4904-61-4
pubchem: 5357179
type: ChemicalSubstance
formula: C12H18
type: Concept
type: ChemicalCompound
cas number: 2765-29-9
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+

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

dibutylnitrosamine
inchikey: YGJHZCLPZAZIHH-UHFFFAOYSA-N
pubchem: 13542
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-dibutylnitrous amide @en
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
smiles: CCCCN(CCCC)N=O
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0004777
notation: DC4yNOAe

hexadecaanzuur
type: ChemicalSubstance
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)
inchikey: IPCSVZSSVZVIGE-UHFFFAOYSA-N
pubchem: 985
type: ChemicalCompound
smiles: CCCCCCCCCCCCCCCC(=O)O
cas number: 67701-02-4
formula: C16H32O2
cas number: 212625-86-0
type: Concept
cas number: 57-10-3
notation: C16azr
cas number: 60605-23-4
iupac name: Hexadecanoic acid @en
cas number: 116860-99-2
broader: CHEMONTID_0002949
in scheme: Conceptschema Chemische Stoffen
cas number: 66321-94-6

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

dimethylbutaan
inchikey: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
pubchem: 6403
smiles: CCC(C)(C)C
broader: CHEMONTID_0004620
iupac name: 2,2-Dimethylbutane @en
cas number: 75-83-2
formula: C6H14
type: ChemicalSubstance
inchi: InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
notation: DC1yC4a

vanadium
notation: V
in scheme: Conceptschema Chemische Stoffen
cas number: 7440-62-2
comment: VLAR II D5 'vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)' of 'vanadium'
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'
definition: vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)
is referenced by: LUC I 002
broader: CHEMONTID_0000426
cas number: 22537-31-1
comment: VLAR III (D3, diverse art) 'V'
inchi: InChI=1S/V
cas number: 14782-33-3
smiles: [V]
iupac name: Vanadium @en
formula: V
cas number: 22541-77-1
type: ChemicalSubstance
comment: VLAR III (D3) 'vanadium'
is referenced by: LUC III 010
inchikey: LEONUFNNVUYDNQ-UHFFFAOYSA-N
cas number: 24763-58-4
cas number: 195161-77-4
type: ChemicalCompound
alternative label: Vanadium (V)
type: Concept
pubchem: 23990

3-ethyl-2,4-dimethylpentaan
inchikey: VLHAGZNBWKUMRW-UHFFFAOYSA-N
type: Concept
broader: CHEMONTID_0004620
smiles: CCC(C(C)C)C(C)C
formula: C9H20
cas number: 1068-87-7
inchi: InChI=1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3
in scheme: Conceptschema Chemische Stoffen
notation: 3C2y24DC1yC5
type: ChemicalSubstance
iupac name: 3-Ethyl-2,4-dimethylpentane @en
type: ChemicalCompound
pubchem: 14040

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

2-chloor-1,1,1-trifluorethaan
notation: HCFK133a
iupac name: 2-Chloro-1,1,1-trifluoroethane @en
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: C(C(F)(F)F)Cl
broader: CHEMONTID_0001517
cas number: 75-88-7
inchikey: CYXIKYKBLDZZNW-UHFFFAOYSA-N
type: ChemicalCompound
formula: C2H2ClF3
inchi: InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
pubchem: 6408

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

methylisothiocyanaat
iupac name: methylimino-sulfanylidenemethane @en
inchikey: LGDSHSYDSCRFAB-UHFFFAOYSA-N
broader: CHEMONTID_0001234
type: Concept
pubchem: 11167
notation: C1yitoCN
smiles: CN=C=S
formula: C2H3NS
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H3NS/c1-3-2-4/h1H3
type: ChemicalCompound
type: ChemicalSubstance
cas number: 556-61-6

2,2',3,5,5'-pentachloorbifenyl
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
type: ChemicalCompound
inchikey: CRCBRZBVCDKPGA-UHFFFAOYSA-N
notation: PCB92
cas number: 52663-61-3
iupac name: 1,2,5-trichloro-3-(2,5-dichlorophenyl)benzene @en
pubchem: 40469
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
formula: C12H5Cl5
type: Concept
type: ChemicalSubstance

bisoprolol
cas number: 66722-44-9
type: ChemicalCompound
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
notation: bispll
iupac name: 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol @en
formula: C18H31NO4
broader: CHEMONTID_0002542
type: Concept
pubchem: 2405
smiles: CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O
type: ChemicalSubstance
inchikey: VHYCDWMUTMEGQY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

acetofenon
inchi: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
type: Concept
iupac name: 1-Phenylethanone @en
pubchem: 7410
in scheme: Conceptschema Chemische Stoffen
cas number: 98-86-2
broader: CHEMONTID_0004298
inchikey: KWOLFJPFCHCOCG-UHFFFAOYSA-N
smiles: CC(=O)C1=CC=CC=C1
type: ChemicalSubstance
formula: C8H8O
notation: actfnn
type: ChemicalCompound

ethyl-p-nitrofenylthiobenzeenfosfonaat
pubchem: 16421
in scheme: Conceptschema Chemische Stoffen
cas number: 65580-79-2
type: Concept
inchikey: AIGRXSNSLVJMEA-UHFFFAOYSA-N
cas number: 2104-64-5
type: ChemicalCompound
formula: C14H14NO4PS
iupac name: ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane @en
smiles: CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
type: ChemicalSubstance
notation: EPN
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
cas number: 65580-80-5
broader: CHEMONTID_0004767

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

aluminiumhydroxychloride
cas number: 32056-15-8
type: ChemicalSubstance
cas number: 101707-17-9
inchi: InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3
cas number: 64441-77-6
cas number: 245064-40-8
type: ChemicalCompound
cas number: 8012-66-6
broader: CHEMONTID_0000573
cas number: 143230-54-0
cas number: 1327-41-9
cas number: 39380-80-8
cas number: 79586-02-0
cas number: 56803-01-1
cas number: 162535-15-1
type: Concept
notation: AlHOxCl
formula: AlCl3
inchikey: VSCWAEJMTAWNJL-UHFFFAOYSA-K
cas number: 135864-70-9
cas number: 195436-38-5
cas number: 41630-01-7
cas number: 56831-66-4
iupac name: ['trichloroalumane', 'Aluminum trichloride'] @en
pubchem: 24012
cas number: 11097-68-0
cas number: 125690-94-0
cas number: 144388-28-3
cas number: 7446-70-0
smiles: [Al](Cl)(Cl)Cl
cas number: 37226-46-3
cas number: 84861-98-3
cas number: 167140-05-8
cas number: 114442-10-3
in scheme: Conceptschema Chemische Stoffen

nefazodone
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
in scheme: Conceptschema Chemische Stoffen
inchikey: VRBKIVRKKCLPHA-UHFFFAOYSA-N
iupac name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one @en
notation: nefzdne
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001984
cas number: 83366-66-9
type: Concept
pubchem: 4449

mirex
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
cas number: 12707-43-6
type: Concept
notation: mirx
cas number: 2385-85-5
in scheme: Conceptschema Chemische Stoffen
cas number: 12557-88-9
inchikey: GVYLCNUFSHDAAW-UHFFFAOYSA-N
broader: CHEMONTID_0001549
cas number: 56449-78-6
pubchem: 16945
type: ChemicalSubstance
formula: C10Cl12
cas number: 20594-49-4
type: ChemicalCompound
cas number: 12766-04-0
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

halofenozide
broader: CHEMONTID_0003100
type: ChemicalSubstance
type: ChemicalCompound
iupac name: N'-(benzoyl)-N'-tert-butyl-4-chlorobenzohydrazide @en
formula: C18H19ClN2O2
type: Concept
notation: halfnzde
in scheme: Conceptschema Chemische Stoffen
pubchem: 114994
cas number: 112226-61-6
inchikey: CNKHSLKYRMDDNQ-UHFFFAOYSA-N
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)

seleen 75
iupac name: selenium-75 @en
smiles: [Se]
inchi: InChI=1S/Se/i1-4
type: Concept
cas number: 14265-71-5
pubchem: 6328176
in scheme: Conceptschema Chemische Stoffen
formula: Se
notation: Se75
inchikey: BUGBHKTXTAQXES-AHCXROLUSA-N
broader: CHEMONTID_0000434
type: ChemicalCompound
type: ChemicalSubstance

pyroquilon
type: ChemicalCompound
pubchem: 91665
cas number: 57369-32-1
notation: pyrqln
broader: CHEMONTID_0001716
smiles: C1CC(=O)N2CCC3=CC=CC1=C32
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
cas number: 84930-99-4
inchikey: XRJLAOUDSILTFT-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
iupac name: 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one @en
in scheme: Conceptschema Chemische Stoffen

cyprodinil
type: ChemicalSubstance
formula: C14H15N3
notation: cypdnl
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3
cas number: 121552-61-2
type: ChemicalCompound
type: Concept
pubchem: 86367
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)
broader: CHEMONTID_0000284
inchikey: HAORKNGNJCEJBX-UHFFFAOYSA-N
iupac name: 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine @en

methaanthiol
inchi: InChI=1S/CH4S/c1-2/h2H,1H3
inchikey: LSDPWZHWYPCBBB-UHFFFAOYSA-N
cas number: 17719-48-1
broader: CHEMONTID_0001212
pubchem: 878
cas number: 74-93-1
type: ChemicalCompound
smiles: CS
formula: CH4S
type: Concept
type: ChemicalSubstance
cas number: 63933-47-1
iupac name: METHANETHIOL @en
in scheme: Conceptschema Chemische Stoffen
notation: C1atol

chloorpicrine
notation: Clpcne
smiles: C([N+](=O)[O-])(Cl)(Cl)Cl
inchikey: LFHISGNCFUNFFM-UHFFFAOYSA-N
cas number: 76-06-2
pubchem: 6423
type: Concept
iupac name: trichloro-nitromethane @en
inchi: InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: CCl3NO2
broader: CHEMONTID_0004160
type: ChemicalSubstance

alfa-isomethylionon
smiles: CC1=CCCC(C1C=C(C)C(=O)C)(C)C
inchikey: JRJBVWJSTHECJK-LUAWRHEFSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
formula: C14H22O
iupac name: (Z)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one @en
type: ChemicalSubstance
pubchem: 5356787
notation: aiC1yionn
broader: CHEMONTID_0001550
cas number: 127-51-5
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-

jodfenfos
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
broader: CHEMONTID_0004748
formula: C8H8Cl2IO3PS
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 18181-70-9
pubchem: 28935
notation: jodffs
iupac name: (2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidenephosphorane @en
type: ChemicalSubstance
type: ChemicalCompound
inchikey: LFVLUOAHQIVABZ-UHFFFAOYSA-N
smiles: COP(=S)(OC)OC1=CC(=C(C=C1Cl)I)Cl

heptadecaan
cas number: 629-78-7
inchikey: NDJKXXJCMXVBJW-UHFFFAOYSA-N
notation: C17a
type: ChemicalSubstance
pubchem: 12398
iupac name: Heptadecane @en
formula: C17H36
broader: CHEMONTID_0002500
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCC
type: Concept

2,4-dimethylpentaan
inchikey: BZHMBWZPUJHVEE-UHFFFAOYSA-N
notation: 24DC1yC5a
type: ChemicalSubstance
formula: C7H16
broader: CHEMONTID_0004620
smiles: CC(C)CC(C)C
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,4-Dimethylpentane @en
cas number: 108-08-7
inchi: InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
type: ChemicalCompound
pubchem: 7907

fenbutatinoxide
cas number: 13356-08-6
type: ChemicalCompound
notation: fenbtSnO
broader: CHEMONTID_0002811
formula: C60H78OSn2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
cas number: 57547-75-8
pubchem: 16683004
type: Concept
inchikey: HOXINJBQVZWYGZ-UHFFFAOYSA-N
iupac name: tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane @en
type: ChemicalSubstance
cas number: 12684-28-5

chloordimeform
in scheme: Conceptschema Chemische Stoffen
cas number: 6164-98-3
notation: ClDmfm
formula: C10H13ClN2
inchikey: STUSTWKEFDQFFZ-UHFFFAOYSA-N
broader: CHEMONTID_0001099
pubchem: 22544
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
type: Concept
type: ChemicalSubstance
smiles: CC1=C(C=CC(=C1)Cl)N=CN(C)C
type: ChemicalCompound

bde 153
formula: C12H4Br6O
type: ChemicalCompound
alternative label: 2,2',4,4',5,5'-hexabroomdifenylether
alternative label: 2,2',4,4',5,5'-hexabroomdifenylether (bde153)
iupac name: 1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene @en
notation: PBDE153
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
cas number: 68631-49-2
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: RZXIRSKYBISPGF-UHFFFAOYSA-N
pubchem: 155166
type: ChemicalSubstance
broader: CHEMONTID_0001845

cis-15-tetracoseenzuur
formula: C24H46O2
type: ChemicalSubstance
pubchem: 5281120
smiles: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: c15C24ezr
broader: CHEMONTID_0002950
inchikey: GWHCXVQVJPWHRF-KTKRTIGZSA-N
iupac name: (Z)-tetracos-15-enoic acid @en
type: ChemicalCompound
cas number: 506-37-6

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

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

3-heptanon
type: ChemicalCompound
type: Concept
iupac name: Heptan-3-one @en
inchikey: NGAZZOYFWWSOGK-UHFFFAOYSA-N
smiles: CCCCC(=O)CC
type: ChemicalSubstance
pubchem: 7802
cas number: 106-35-4
in scheme: Conceptschema Chemische Stoffen
formula: C7H14O
notation: 3C7on
broader: CHEMONTID_0000118
inchi: InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3

dinoseb
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
cas number: 88-85-7
formula: C10H12N2O5
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
alternative label: 2-sec-butyl-4,6-dinitrofenol
pubchem: 6950
notation: Dnsb
inchikey: OWZPCEFYPSAJFR-UHFFFAOYSA-N
broader: CHEMONTID_0004505
iupac name: 2-butan-2-yl-4,6-dinitrophenol @en
cas number: 152212-20-9
smiles: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
type: ChemicalSubstance
cas number: 39403-80-0

1,2,3,4,6,7,8,9-octachloordibenzo-p-dioxine
in scheme: Conceptschema Chemische Stoffen
alternative label: octachloordibenzo-para-dioxine
is referenced by: LUC VI 002
formula: C12Cl8O2
iupac name: 1,2,3,4,6,7,8,9-octachlorooxanthrene @en
cas number: 3268-87-9
comment: VLAR II+ bijlagen
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
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
pubchem: 18636
type: Concept
alternative label: octachloordibenzodioxine
broader: CHEMONTID_0000420
alternative label: octachloordibenzodioxine (ocdd)
notation: PCDD75
inchikey: FOIBFBMSLDGNHL-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance

naftaleen-1-carbonitril
smiles: C1=CC=C2C(=C1)C=CC=C2C#N
cas number: 25551-35-3
inchi: InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H
broader: CHEMONTID_0000023
pubchem: 6846
cas number: 86-53-3
notation: Naf1cbntl
type: ChemicalCompound
iupac name: Naphthalene-1-carbonitrile @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
formula: C11H7N
inchikey: YJMNOKOLADGBKA-UHFFFAOYSA-N

pentobarbital
formula: C11H18N2O3
cas number: 76-74-4
broader: CHEMONTID_0000291
type: Concept
type: ChemicalSubstance
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
inchikey: WEXRUCMBJFQVBZ-UHFFFAOYSA-N
type: ChemicalCompound
notation: pentbbtl
smiles: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC
in scheme: Conceptschema Chemische Stoffen
pubchem: 4737

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

1-(butylheptyl)-benzeen
in scheme: Conceptschema Chemische Stoffen
inchikey: RRPCXIBGXYGQNC-UHFFFAOYSA-N
broader: CHEMONTID_0002279
type: ChemicalCompound
notation: 1C4yC7yBen
smiles: CCCCCCC(CCCC)C1=CC=CC=C1
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
cas number: 4537-15-9
type: Concept
pubchem: 20661
formula: C17H28
type: ChemicalSubstance

2,3-dimethylquinoline
formula: C11H11N
iupac name: 2,3-DIMETHYLQUINOLINE @en
type: Concept
inchi: InChI=1S/C11H11N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-7H,1-2H3
type: ChemicalSubstance
broader: CHEMONTID_0001253
inchikey: FBOFHVFMPNNIKN-UHFFFAOYSA-N
cas number: 1721-89-7
type: ChemicalCompound
notation: 23DC1yqnlne
in scheme: Conceptschema Chemische Stoffen
pubchem: 15591
smiles: CC1=CC2=CC=CC=C2N=C1C

1-chloor-2,4-dinitrobenzeen
inchi: InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
inchikey: VYZAHLCBVHPDDF-UHFFFAOYSA-N
notation: 1Cl24DNO2Ben
broader: CHEMONTID_0000036
type: ChemicalCompound
type: Concept
pubchem: 6
formula: C6H3ClN2O4
cas number: 97-00-7
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
iupac name: 1-chloro-2,4-dinitrobenzene @en

nabam
alternative label: ethyleenbisdithiocarbamaat
cas number: 111-54-6
broader: CHEMONTID_0004099
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
notation: C2yebDtocbmt
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 142-59-6
pubchem: 8891
inchikey: UQJQVUOTMVCFHX-UHFFFAOYSA-L
formula: C4H6N2Na2S4
smiles: C(CN=C(S)[S-])N=C(S)[S-].[Na+].[Na+]
type: ChemicalSubstance
type: ChemicalCompound
notation: nabm

flumequine
type: ChemicalSubstance
smiles: CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O
type: ChemicalCompound
cas number: 42835-25-6
inchikey: DPSPPJIUMHPXMA-UHFFFAOYSA-N
type: Concept
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)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002552
cas number: 143984-63-8
formula: C14H12FNO3
notation: flumqne
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

1,3,5-trinitrobenzeen
type: ChemicalSubstance
pubchem: 7434
inchi: InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
notation: 135TNO2Ben
smiles: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
type: Concept
iupac name: 1,3,5-Trinitrobenzene @en
broader: CHEMONTID_0000036
type: ChemicalCompound
formula: C6H3N3O6
inchikey: UATJOMSPNYCXIX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 99-35-4

flecainide
broader: CHEMONTID_0000178
cas number: 54143-55-4
formula: C17H20F6N2O3
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
inchikey: DJBNUMBKLMJRSA-UHFFFAOYSA-N
pubchem: 3356
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)
cas number: 99495-87-1
in scheme: Conceptschema Chemische Stoffen
iupac name: N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide @en
notation: flecinde

diflubenzuron
cas number: 53026-03-2
cas number: 104790-81-0
iupac name: N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide @en
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: QQQYTWIFVNKMRW-UHFFFAOYSA-N
pubchem: 37123
broader: CHEMONTID_0004513
cas number: 51026-04-1
type: ChemicalCompound
cas number: 66594-18-1
formula: C14H9ClF2N2O2
type: ChemicalSubstance
cas number: 35367-38-5
notation: Dfbzrn

2,2',3,3',4,5,6,6'-octachloorbifenyl
type: ChemicalCompound
type: ChemicalSubstance
inchikey: HHXNVASVVVNNDG-UHFFFAOYSA-N
formula: C12H2Cl8
cas number: 52663-73-7
notation: PCB199
in scheme: Conceptschema Chemische Stoffen
pubchem: 40480
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
broader: CHEMONTID_0003030
iupac name: 1,2,3,4,5-pentachloro-6-(2,3,6-trichlorophenyl)benzene @en
type: Concept

musk-xyleen
pubchem: 62329
type: Concept
type: ChemicalSubstance
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
in scheme: Conceptschema Chemische Stoffen
inchikey: XMWRWTSZNLOZFN-UHFFFAOYSA-N
type: ChemicalCompound
smiles: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
iupac name: 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene @en
formula: C12H15N3O6
cas number: 81-15-2
notation: muskxln
broader: CHEMONTID_0000036

tellurium 133
inchikey: PORWMNRCUJJQNO-BKFZFHPZSA-N
notation: Te133
type: ChemicalCompound
pubchem: 6337091
iupac name: tellurium-133 @en
inchi: InChI=1S/Te/i1+5
in scheme: Conceptschema Chemische Stoffen
formula: Te
cas number: 15759-52-1
smiles: [Te]
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000431

1-aminodecaan
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: CCCCCCCCCCN
type: ChemicalCompound
cas number: 2016-57-1
pubchem: 8916
notation: 1AoC10a
broader: CHEMONTID_0000469
iupac name: decan-1-amine @en
type: Concept
inchi: InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
inchikey: MHZGKXUYDGKKIU-UHFFFAOYSA-N
formula: C10H23N

methyl-4-broomacetoacetaat
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 295655
notation: C1y4Bractact
inchikey: CZRWOPRGDPUSDE-UHFFFAOYSA-N
broader: CHEMONTID_0001114
cas number: 17790-81-7
type: ChemicalSubstance
type: ChemicalCompound
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
smiles: COC(=O)CC(=O)CBr

calciumoxide
type: ChemicalSubstance
smiles: O=[Ca]
cas number: 245321-52-2
broader: CHEMONTID_0000546
formula: CaO
cas number: 104624-96-6
inchikey: ODINCKMPIJJUCX-UHFFFAOYSA-N
iupac name: oxocalcium @en
notation: CaO
in scheme: Conceptschema Chemische Stoffen
cas number: 1305-78-8
pubchem: 14778
cas number: 60873-85-0
cas number: 12610-14-9
type: Concept
type: ChemicalCompound
inchi: InChI=1S/Ca.O

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

1,1-difenylhydrazine
cas number: 530-50-7
type: Concept
formula: C12H13ClN2
broader: CHEMONTID_0000113
cas number: 530-47-2
pubchem: 10738
type: ChemicalCompound
iupac name: 1,1-Diphenylhydrazine hydrochloride @en
smiles: C1=CC=C(C=C1)N(C2=CC=CC=C2)N.Cl
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
type: ChemicalSubstance
inchikey: MIVUDWFNUOXEJM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 11DFydzne

tetrahydroftaalimide
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+
type: Concept
inchikey: CIFFBTOJCKSRJY-OLQVQODUSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: T4Hflmde
type: ChemicalCompound
formula: C8H9NO2
smiles: C1C=CCC2C1C(=O)NC2=O
cas number: 1469-48-3
pubchem: 92888
broader: CHEMONTID_0001820
iupac name: (3aR,7aS)-3a,4,7,7a-tetrahydroisoindole-1,3-dione @en

epsilon-caprolactam
cas number: 2953-03-9
cas number: 32838-23-6
cas number: 168214-28-6
cas number: 105-60-2
inchi: InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
type: Concept
cas number: 32838-21-4
in scheme: Conceptschema Chemische Stoffen
formula: C6H11NO
type: ChemicalSubstance
notation: ecapltm
pubchem: 7768
cas number: 117955-36-9
inchikey: JBKVHLHDHHXQEQ-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0000163
iupac name: azepan-2-one @en
cas number: 34876-18-1
smiles: C1CCC(=O)NCC1

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

3,4,5-trichloorfenol
type: Concept
pubchem: 11859
type: ChemicalSubstance
inchikey: GBNHEBQXJVDXSW-UHFFFAOYSA-N
notation: 345TClFol
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,4,5-Trichlorophenol @en
broader: CHEMONTID_0002772
type: ChemicalCompound
formula: C6H3Cl3O
cas number: 609-19-8
inchi: InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
smiles: C1=C(C=C(C(=C1Cl)Cl)Cl)O

enoxacine
iupac name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid @en
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)
in scheme: Conceptschema Chemische Stoffen
pubchem: 3229
broader: CHEMONTID_0001858
type: ChemicalCompound
cas number: 74011-58-8
notation: enxcne
type: Concept
inchikey: IDYZIJYBMGIQMJ-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C15H17FN4O3

acenaftyleen
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
type: ChemicalCompound
cas number: 208-96-8
is referenced by: LUC VI 001
is referenced by: WAC IV A 002
type: Concept
formula: C12H8
inchikey: HXGDTGSAIMULJN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: AcNy
type: ChemicalSubstance
pubchem: 9161
broader: CHEMONTID_0004812
cas number: 34493-60-2
smiles: C1=CC2=C3C(=C1)C=CC3=CC=C2

saccharine
formula: C7H5NO3S
smiles: C1=CC=C2C(=C1)C(=O)NS2(=O)=O
notation: saccrne
cas number: 126987-83-5
broader: CHEMONTID_0000311
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
type: Concept
cas number: 81-07-2
inchikey: CVHZOJJKTDOEJC-UHFFFAOYSA-N
cas number: 474-91-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 5143
type: ChemicalSubstance
cas number: 61255-27-4
type: ChemicalCompound

tantalium
type: ChemicalSubstance
notation: Ta
in scheme: Conceptschema Chemische Stoffen
formula: Ta
type: ChemicalCompound
smiles: [Ta]
inchikey: GUVRBAGPIYLISA-UHFFFAOYSA-N
cas number: 7440-25-7
iupac name: TANTALUM @en
type: Concept
broader: CHEMONTID_0000426
pubchem: 23956
inchi: InChI=1S/Ta

benzo(c)fenantreen
type: ChemicalCompound
cas number: 195-19-7
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
pubchem: 9136
type: ChemicalSubstance
type: Concept
formula: C18H12
notation: BcFen
smiles: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3
in scheme: Conceptschema Chemische Stoffen
inchikey: TUAHORSUHVUKBD-UHFFFAOYSA-N
broader: CHEMONTID_0000025
iupac name: Benzo[c]phenanthrene @en

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

hexabroomdifenylether
type: Concept
inchikey: OJMHGSMSQZEBFH-UHFFFAOYSA-N
cas number: 36483-60-0
type: ChemicalSubstance
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
type: ChemicalCompound
broader: CHEMONTID_0001845
iupac name: 1,2,5-tribromo-3-(2,4,6-tribromophenoxy)benzene @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 37454
formula: C12H4Br6O

methoxyazijnzuur
inchikey: RMIODHQZRUFFFF-UHFFFAOYSA-N
cas number: 625-45-6
smiles: COCC(=O)O
iupac name: 2-Methoxyacetic acid @en
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001205
formula: C3H6O3
inchi: InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
pubchem: 12251
notation: C1oxHAc
type: Concept

laminaran
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
type: ChemicalSubstance
notation: lamnrn
in scheme: Conceptschema Chemische Stoffen
formula: C18H32O16
broader: CHEMONTID_0000198
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
cas number: 9008-22-4
type: ChemicalCompound
inchikey: DBTMGCOVALSLOR-VPNXCSTESA-N
type: Concept
pubchem: 439306

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

chloorpyrifos-ethyl
cas number: 12768-48-8
cas number: 39475-55-3
inchikey: SBPBAQFWLVIOKP-UHFFFAOYSA-N
notation: C2yClprfs
alternative label: ethylchloorpyrifos
alternative label: chloorpyrifos
pubchem: 2730
alternative label: chlorpyrifos
cas number: 2921-88-2
broader: CHEMONTID_0004623
iupac name: diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane @en
type: Concept
type: ChemicalSubstance
formula: C9H11Cl3NO3PS
smiles: CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

2,2',3,3',5,5',6,6'-octachloorbifenyl
notation: PCB202
type: Concept
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
inchikey: JPOPEORRMSDUIP-UHFFFAOYSA-N
formula: C12H2Cl8
iupac name: 1,2,4,5-tetrachloro-3-(2,3,5,6-tetrachlorophenyl)benzene @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003030
type: ChemicalCompound
pubchem: 16495
type: ChemicalSubstance
cas number: 2136-99-4

1-dodecylpyridinium chloride
pubchem: 7717
in scheme: Conceptschema Chemische Stoffen
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
cas number: 104-74-5
cas number: 104-73-4
inchikey: GKQHIYSTBXDYNQ-UHFFFAOYSA-M
formula: C17H30ClN
smiles: CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
cas number: 138870-69-6
type: Concept
broader: CHEMONTID_0001764
type: ChemicalCompound
iupac name: 1-dodecylpyridin-1-ium chloride @en
notation: 1C12yprdnCl
type: ChemicalSubstance

N-isopropylbutylamine
inchikey: OKRJGUKZYSEUOY-UHFFFAOYSA-N
type: Concept
pubchem: 123480
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalCompound
cas number: 39099-23-5
smiles: CCCCNC(C)C
alternative label: n-isopropylbutylamine
type: ChemicalSubstance
broader: CHEMONTID_0002228
notation: NiC3yC4yAe

1-hexadeceen
inchikey: GQEZCXVZFLOKMC-UHFFFAOYSA-N
cas number: 629-73-2
type: ChemicalSubstance
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
broader: CHEMONTID_0004476
cas number: 26952-14-7
type: Concept
cas number: 68855-59-4
type: ChemicalCompound
pubchem: 12395
in scheme: Conceptschema Chemische Stoffen
notation: 1C16e
iupac name: hexadec-1-ene @en
smiles: CCCCCCCCCCCCCCC=C

butanol
comment: VLAR II bijl. 4.4.2 'alkylalcohol'
broader: CHEMONTID_0000286
is referenced by: LUC IV 012
cas number: 42031-19-6
cas number: 71-36-3
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 000
inchi: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
is referenced by: LUC IV 009
smiles: CCCCO
cas number: 220713-25-7
formula: C4H10O
inchikey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
type: Concept
notation: C4ol
cas number: 14254-05-8
alternative label: n-butanol
cas number: 107569-51-7
iupac name: Butan-1-ol @en
pubchem: 263
cas number: 35296-72-1
type: ChemicalSubstance

mepronil
formula: C17H19NO2
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C
broader: CHEMONTID_0004713
notation: mepnl
type: ChemicalCompound
type: Concept
pubchem: 41632
iupac name: 2-methyl-N-(3-propan-2-yloxyphenyl)benzamide @en
inchikey: BCTQJXQXJVLSIG-UHFFFAOYSA-N
cas number: 55814-41-0
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)

1,3,3-trimethyloxindol
type: ChemicalSubstance
cas number: 20200-86-6
inchi: InChI=1S/C11H13NO/c1-11(2)8-6-4-5-7-9(8)12(3)10(11)13/h4-7H,1-3H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 30001
type: Concept
inchikey: RFJITKCIMOLCNP-UHFFFAOYSA-N
formula: C11H13NO
iupac name: 1,3,3-trimethylindol-2-one @en
broader: CHEMONTID_0000211
smiles: CC1(C2=CC=CC=C2N(C1=O)C)C
notation: 133TC1yoidl
type: ChemicalCompound

methyl-4-hydroxybenzoaat
notation: C1y4HOxbzat
smiles: COC(=O)C1=CC=C(C=C1)O
pubchem: 7456
type: ChemicalCompound
inchi: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
in scheme: Conceptschema Chemische Stoffen
formula: C8H8O3
iupac name: Methyl 4-hydroxybenzoate @en
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004702
inchikey: LXCFILQKKLGQFO-UHFFFAOYSA-N
cas number: 99-76-3

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

1,2-dichloor-1,1,2,3,3-pentafluorpropaan
smiles: C(C(C(F)(F)Cl)(F)Cl)(F)F
broader: CHEMONTID_0001517
type: Concept
pubchem: 61110
inchi: InChI=1S/C3HCl2F5/c4-2(8,1(6)7)3(5,9)10/h1H
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE @en
cas number: 422-44-6
inchikey: GDSQRBLILFKERU-UHFFFAOYSA-N
type: ChemicalCompound
formula: C3HCl2F5
notation: HCFK225bb

demeton
inchikey: FAXIJTUDSBIMHY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003384
iupac name: diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane; 1-(2-diethoxyphosphorylsulfanylethylsulfanyl)ethane @en
type: ChemicalCompound
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
cas number: 8065-48-3
pubchem: 24722
cas number: 8058-73-9
formula: C16H38O6P2S4
smiles: CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC
type: Concept
cas number: 34624-53-8
cas number: 8000-97-3
type: ChemicalSubstance

azimsulfuron
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea @en
type: ChemicalSubstance
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)
in scheme: Conceptschema Chemische Stoffen
cas number: 120162-55-2
type: Concept
inchikey: MAHPNPYYQAIOJN-UHFFFAOYSA-N
pubchem: 86355
type: ChemicalCompound
formula: C13H16N10O5S
notation: azsfrn
broader: CHEMONTID_0004705

8-hydroxypennelic acid
smiles: CC1(C(N2C(S1)C(NC2=O)C(=O)O)C(=O)O)C
type: ChemicalSubstance
broader: CHEMONTID_0000060
cas number: 3053-85-8
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)
type: ChemicalCompound
iupac name: 2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid @en
formula: C9H12N2O5S
inchikey: RXVCHKFNBPFYCC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: 8-HPA
pubchem: 6451507

vigabatrine
type: ChemicalCompound
iupac name: 4-aminohex-5-enoic acid @en
type: Concept
cas number: 74046-07-4
notation: vigbtne
broader: CHEMONTID_0001880
in scheme: Conceptschema Chemische Stoffen
cas number: 60643-86-9
smiles: C=CC(CCC(=O)O)N
inchikey: PJDFLNIOAUIZSL-UHFFFAOYSA-N
pubchem: 5665
type: ChemicalSubstance
formula: C6H11NO2
inchi: InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)

2,6-tolueendiamine
type: ChemicalSubstance
type: ChemicalCompound
cas number: 823-40-5
broader: CHEMONTID_0003965
notation: 26TolDAe
smiles: CC1=C(C=CC=C1N)N
inchikey: RLYCRLGLCUXUPO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 13205
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
type: Concept
formula: C7H10N2

terbacil
smiles: CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl
inchi: InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione @en
type: ChemicalSubstance
pubchem: 22188
notation: terbcl
broader: CHEMONTID_0001893
formula: C9H13ClN2O2
cas number: 5902-51-2
inchikey: NBQCNZYJJMBDKY-UHFFFAOYSA-N

cythioaat
broader: CHEMONTID_0004748
notation: cytoat
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)
inchikey: BSBSDQUZDZXGFN-UHFFFAOYSA-N
cas number: 115-93-5
pubchem: 8293
type: ChemicalSubstance
iupac name: 4-dimethoxyphosphinothioyloxybenzenesulfonamide @en
smiles: COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
formula: C8H12NO5PS2

chinon
type: Concept
broader: CHEMONTID_0002494
inchikey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
cas number: 106-51-4
iupac name: cyclohexa-2,5-diene-1,4-dione @en
cas number: 54560-36-0
type: ChemicalCompound
inchi: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
pubchem: 4650
formula: C6H4O2
notation: quinne
cas number: 19052-63-2
smiles: C1=CC(=O)C=CC1=O
cas number: 51226-74-5
cas number: 3225-29-4
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

etonogestrel
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
smiles: CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
broader: CHEMONTID_0003570
pubchem: 40976
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
inchikey: GCKFUYQCUCGESZ-KIIRVTSASA-N
notation: etngtl
formula: C22H28O2
cas number: 165050-21-5
type: ChemicalCompound
cas number: 54048-10-1

2,2',4,4'-tetrabroomdifenylether (bde47)
smiles: C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br
notation: PBDE47
alternative label: 2,2',4,4'-tetrabroomdifenylether
formula: C12H6Br4O
iupac name: 2,4-dibromo-1-(2,4-dibromophenoxy)benzene @en
pubchem: 95170
alternative label: bde 47
broader: CHEMONTID_0001845
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
inchikey: XYBSIYMGXVUVGY-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 5436-43-1
type: Concept

imazethapyr
type: ChemicalCompound
pubchem: 54740
type: Concept
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)
notation: imztpr
cas number: 81335-77-5
type: ChemicalSubstance
formula: C15H19N3O3
iupac name: 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid @en
in scheme: Conceptschema Chemische Stoffen
inchikey: XVOKUMIPKHGGTN-UHFFFAOYSA-N
broader: CHEMONTID_0000060

2-methyl-2-benzotriazool
inchikey: PWORFEDVDWBHSJ-UHFFFAOYSA-N
pubchem: 85498
inchi: InChI=1S/C7H7N3/c1-10-8-6-4-2-3-5-7(6)9-10/h2-5H,1H3
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: 2C1y2bztazl
iupac name: 2-Methylbenzotriazole @en
cas number: 16584-00-2
smiles: CN1N=C2C=CC=CC2=N1
formula: C7H7N3
broader: CHEMONTID_0000315
type: ChemicalSubstance

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

asulam
formula: C8H10N2O4S
type: ChemicalCompound
smiles: COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
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)
in scheme: Conceptschema Chemische Stoffen
inchikey: VGPYEHKOIGNJKV-UHFFFAOYSA-N
pubchem: 18752
cas number: 3337-71-1
iupac name: methyl N-(4-aminophenyl)sulfonylcarbamate @en
broader: CHEMONTID_0001925
type: Concept
notation: aslm
type: ChemicalSubstance

anatoxine-a
type: Concept
type: ChemicalSubstance
smiles: CC(=O)C1=CCCC2CCC1N2
iupac name: 1-(9-azabicyclo[4.2.1]non-4-en-5-yl)ethanone @en
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
inchikey: SGNXVBOIDPPRJJ-UHFFFAOYSA-N
notation: antxna
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001465
pubchem: 431734
type: ChemicalCompound
formula: C10H15NO
cas number: 64285-06-9

3,4-methyleendioxyethamfetamine
alternative label: 3,4-Methyleendioxyethamfetamine
cas number: 82801-81-8
cas number: 74341-78-9
notation: 34C1yeDoxeaf
in scheme: Conceptschema Chemische Stoffen
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
type: Concept
iupac name: 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine hydrochloride @en
pubchem: 3057998
type: ChemicalSubstance
broader: CHEMONTID_0000296
inchikey: IBDIPBWIXJRJQM-UHFFFAOYSA-N
smiles: CCNC(C)CC1=CC2=C(C=C1)OCO2.Cl
type: ChemicalCompound

2,3',4,4',6-pentabroomdifenylether
type: Concept
inchikey: PBFOWFPZALCTIY-UHFFFAOYSA-N
broader: CHEMONTID_0003954
cas number: 86029-64-3
in scheme: Conceptschema Chemische Stoffen
formula: C12H5Br5
notation: PBDE119
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
type: ChemicalSubstance
type: ChemicalCompound

hetzuur
pubchem: 8266
iupac name: 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid @en
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)
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C9H4Cl6O4
cas number: 7374-78-9
alternative label: HETzuur
inchikey: DJKGDNKYTKCJKD-UHFFFAOYSA-N
type: Concept
cas number: 5343-97-5
notation: HETzr
type: ChemicalCompound
cas number: 115-28-6
broader: CHEMONTID_0000346

cis-1,2-dibroometheen
smiles: C(=CBr)Br
type: ChemicalCompound
formula: C2H2Br2
in scheme: Conceptschema Chemische Stoffen
iupac name: ['(E)-1,2-Dibromoethene', '1,2-Dibromoethene'] @en
cas number: 25429-23-6
type: Concept
inchikey: UWTUEMKLYAGTNQ-OWOJBTEDSA-N
cas number: 590-12-5
cas number: 31389-08-9
pubchem: 637929
notation: c12DBrC2e
inchi: InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1+
broader: CHEMONTID_0002864
type: ChemicalSubstance

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

ftalimide
formula: C8H5NO2
pubchem: 6809
inchikey: XKJCHHZQLQNZHY-UHFFFAOYSA-N
type: ChemicalSubstance
smiles: C1=CC=C2C(=C1)C(=O)NC2=O
type: Concept
broader: CHEMONTID_0004749
notation: ftalmde
type: ChemicalCompound
inchi: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
cas number: 85-41-6
iupac name: Isoindole-1,3-dione @en
in scheme: Conceptschema Chemische Stoffen

methylnitrosoureum
broader: CHEMONTID_0002444
cas number: 684-93-5
type: Concept
notation: C1yNOurm
inchikey: ZRKWMRDKSOPRRS-UHFFFAOYSA-N
cas number: 28606-00-0
type: ChemicalCompound
pubchem: 12699
formula: C2H5N3O2
type: ChemicalSubstance
iupac name: 1-Methyl-1-nitrosourea @en
cas number: 820-60-0
smiles: CN(C(=O)N)N=O
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
cas number: 126742-50-5

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

N-methylperfluorbutaansulfonamide
iupac name: 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide @en
alternative label: n-methylperfluor-n-butaansulfonamide (mepfbsa)
formula: C5H4F9NO2S
cas number: 68298-12-4
inchi: InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3
notation: MePFBSA
type: ChemicalCompound
type: Concept
notation: NC1yPFC4asfA
broader: CHEMONTID_0001585
in scheme: Conceptschema Chemische Stoffen
pubchem: 109968
alternative label: n-methylperfluor-n-butaansulfonamide
type: ChemicalSubstance
inchikey: GFZPUWKGPNHWHD-UHFFFAOYSA-N

carbazol
notation: carbzl
type: Concept
pubchem: 6854
formula: C12H9N
iupac name: 9H-Carbazole @en
smiles: C1=CC=C2C(=C1)C3=CC=CC=C3N2
type: ChemicalSubstance
inchi: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: UJOBWOGCFQCDNV-UHFFFAOYSA-N
cas number: 86-74-8
broader: CHEMONTID_0000210

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

acridine
in scheme: Conceptschema Chemische Stoffen
iupac name: Acridine @en
notation: acdne
type: ChemicalSubstance
inchikey: DZBUGLKDJFMEHC-UHFFFAOYSA-N
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
smiles: C1=CC=C2C(=C1)C=C3C=CC=CC3=N2
pubchem: 9215
type: Concept
broader: CHEMONTID_0000274
cas number: 260-94-6
type: ChemicalCompound

2-methoxy-2-methylbutaan
inchi: InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
formula: C6H14O
pubchem: 61247
type: ChemicalSubstance
broader: CHEMONTID_0001167
inchikey: HVZJRWJGKQPSFL-UHFFFAOYSA-N
cas number: 994-05-8
type: Concept
type: ChemicalCompound
notation: 2C1ox2C1yC4a
in scheme: Conceptschema Chemische Stoffen
smiles: CCC(C)(C)OC
iupac name: 2-Methoxy-2-methylbutane @en

N,N,2-trimethylaniline
type: Concept
formula: C9H13N
inchikey: JDEJGVSZUIJWBM-UHFFFAOYSA-N
inchi: InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3
cas number: 29256-93-7
smiles: CC1=CC=CC=C1N(C)C
type: ChemicalCompound
broader: CHEMONTID_0003964
cas number: 609-72-3
type: ChemicalSubstance
iupac name: N,N,2-Trimethylaniline @en
in scheme: Conceptschema Chemische Stoffen
notation: NN2TC1yAn
alternative label: n,n,2-trimethylaniline
pubchem: 11869

2,4-tolueendi-isocyanaat
notation: 24TolDiCN
alternative label: 2,4-tolueendiisocyanaat
cas number: 26006-20-2
cas number: 86-91-9
inchi: InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
in scheme: Conceptschema Chemische Stoffen
cas number: 26471-62-5
broader: CHEMONTID_0003983
type: ChemicalSubstance
pubchem: 11443
formula: C9H6N2O2
smiles: CC1=C(C=C(C=C1)N=C=O)N=C=O
type: Concept
cas number: 584-84-9
inchikey: DVKJHBMWWAPEIU-UHFFFAOYSA-N
iupac name: 2,4-Diisocyanato-1-methylbenzene @en
cas number: 1321-38-6
comment: VLAREM II bijlage 4.4.2
type: ChemicalCompound
cas number: 59539-76-3

2,5-dichloor-4-nitroaniline
cas number: 6627-34-5
notation: 25DCl4NO2An
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
type: ChemicalSubstance
smiles: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])Cl)N
inchikey: JBXZCPXEYAEMJS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C6H4Cl2N2O2
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000036
pubchem: 23108

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

2,2',5,5'-tetrachloorbifenyl
notation: PCB52
alternative label: 2,2',5,5'-tetrachloorbifenyl (pcb52)
type: Concept
cas number: 35693-99-3
alternative label: PCB-52
smiles: C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl
alternative label: pcb-52
in scheme: Conceptschema Chemische Stoffen
inchikey: HCWZEPKLWVAEOV-UHFFFAOYSA-N
formula: C12H6Cl4
type: ChemicalSubstance
is referenced by: LUC VI 002
pubchem: 37248
broader: CHEMONTID_0003030
alternative label: pcb 52
iupac name: 1,4-dichloro-2-(2,5-dichlorophenyl)benzene @en
is referenced by: CMA 3 I
type: ChemicalCompound
inchi: InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H

pyrifenox
type: ChemicalCompound
pubchem: 6023583
iupac name: 1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002564
type: ChemicalSubstance
notation: pyrfnx
type: Concept
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-
formula: C14H12Cl2N2O
smiles: CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl
inchikey: CKPCAYZTYMHQEX-JXAWBTAJSA-N
cas number: 88283-41-4

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

1-aminopropaan
cas number: 68187-45-1
notation: 1AoC3a
cas number: 68130-69-8
formula: C3H9N
smiles: CCCN
type: ChemicalSubstance
cas number: 68130-70-1
type: ChemicalCompound
inchikey: WGYKZJWCGVVSQN-UHFFFAOYSA-N
pubchem: 7852
inchi: InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
cas number: 68187-43-9
cas number: 42939-71-9
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000469
cas number: 68187-44-0
cas number: 107-10-8
type: Concept
iupac name: Propan-1-amine @en

4-ethoxyethylbenzoezuur
type: ChemicalCompound
notation: 4C2oxC1ybenz
pubchem: 90232
in scheme: Conceptschema Chemische Stoffen
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
cas number: 23676-09-7
formula: C11H14O3
inchikey: HRAQMGWTPNOILP-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0001350
iupac name: Ethyl 4-ethoxybenzoate @en
type: Concept
smiles: CCOC1=CC=C(C=C1)C(=O)OCC

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

3,7-dimethyl-1,7-octaandiol
formula: C10H22O2
notation: 37DC1y17C8aD
broader: CHEMONTID_0001334
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,7-Dimethyloctane-1,7-diol @en
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 107-74-4
inchi: InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
pubchem: 249494
smiles: CC(CCCC(C)(C)O)CCO
inchikey: FPCCDPXRNNVUOM-UHFFFAOYSA-N

som 4-nonylfenol-isomeren (vertakt)
notation: s4C9yFol
iupac name: 4-(7-methyloctyl)phenol @en
type: Concept
cas number: 84852-15-3
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 24518-48-7
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
formula: C15H24O
type: ChemicalCompound
pubchem: 338733
smiles: CC(C)CCCCCCC1=CC=C(C=C1)O
broader: CHEMONTID_0004646
inchikey: JSFITYFUKSFPBZ-UHFFFAOYSA-N

1-naftaleenazijnzuur
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0000023
smiles: C1=CC=C2C(=C1)C=CC=C2CC(=O)O
cas number: 61913-11-9
type: ChemicalCompound
inchikey: PRPINYUDVPFIRX-UHFFFAOYSA-N
pubchem: 6862
cas number: 86-87-3
notation: 1NafHAc
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)
type: Concept
cas number: 26445-01-2
iupac name: 2-naphthalen-1-ylacetic acid @en

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

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

methyl-3-hydroxyfenylcarbamaat
broader: CHEMONTID_0004714
formula: C8H9NO3
smiles: COC(=O)NC1=CC(=CC=C1)O
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)
inchikey: FFQQCJGNKKIRMD-UHFFFAOYSA-N
pubchem: 26181
cas number: 13683-89-1
iupac name: methyl N-(3-hydroxyphenyl)carbamate @en
notation: MHPC

dihexylftalaat
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001350
pubchem: 6786
type: ChemicalSubstance
type: Concept
formula: C20H30O4
smiles: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
iupac name: dihexyl benzene-1,2-dicarboxylate @en
notation: DC6yFt
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
alternative label: di-n-hexylftalaat
type: ChemicalCompound
inchikey: KCXZNSGUUQJJTR-UHFFFAOYSA-N
cas number: 84-75-3
cas number: 68610-82-2

diniconazool
notation: Dncnzl
type: ChemicalSubstance
inchikey: FBOUIAKEJMZPQG-AWNIVKPZSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 83657-24-3
pubchem: 6436605
type: ChemicalCompound
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
cas number: 101179-53-7
cas number: 76714-88-0
cas number: 70217-36-6
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+
broader: CHEMONTID_0002754
formula: C15H17Cl2N3O

2,5-dimethylpyrazine
formula: C6H8N2
cas number: 123-32-0
type: Concept
inchikey: LCZUOKDVTBMCMX-UHFFFAOYSA-N
type: ChemicalSubstance
notation: 25DC1yprzne
inchi: InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
pubchem: 31252
iupac name: 2,5-Dimethylpyrazine @en
broader: CHEMONTID_0000067
type: ChemicalCompound
smiles: CC1=CN=C(C=N1)C
in scheme: Conceptschema Chemische Stoffen

prochloraz
in scheme: Conceptschema Chemische Stoffen
cas number: 67747-09-5
formula: C15H16Cl3N3O2
inchikey: TVLSRXXIMLFWEO-UHFFFAOYSA-N
broader: CHEMONTID_0002341
pubchem: 73665
type: ChemicalSubstance
cas number: 68444-81-5
type: Concept
type: ChemicalCompound
iupac name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide @en
notation: proClaz

tetramethanol-acetyleendiureum
broader: CHEMONTID_0001149
inchikey: UUGLSEIATNSHRI-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 100091-50-7
cas number: 5395-50-6
iupac name: 1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione @en
type: Concept
pubchem: 79372
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
notation: T4C1olactlDu
type: ChemicalSubstance
type: ChemicalCompound
smiles: C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O
cas number: 53272-25-6
formula: C8H14N4O6

imazaquin
broader: CHEMONTID_0002552
pubchem: 54739
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
notation: imzqn
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)
cas number: 81335-37-7
inchikey: CABMTIJINOIHOD-UHFFFAOYSA-N
formula: C17H17N3O3
iupac name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid @en

2,4-diaminoanisol
notation: 24DAoansl
notation: 24DAoansSO4
type: Concept
cas number: 108066-98-4
inchikey: FDJQHYWUHGBBTO-UHFFFAOYSA-N
cas number: 6219-67-6
type: ChemicalCompound
pubchem: 38221
smiles: COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O
broader: CHEMONTID_0004670
cas number: 615-05-4
type: ChemicalSubstance
alternative label: 2,4-diaminoanisolsulfaat
in scheme: Conceptschema Chemische Stoffen
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

prothoaat
pubchem: 16774
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)
smiles: CCOP(=S)(OCC)SCC(=O)NC(C)C
formula: C9H20NO3PS2
inchikey: QTXHFDHVLBDJIO-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance
cas number: 2275-18-5
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-diethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide @en
notation: protat
type: ChemicalCompound
broader: CHEMONTID_0004164

3-chloor-2-nitroaniline
cas number: 59483-54-4
pubchem: 101068
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
notation: 3Cl2NO2An
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
smiles: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])N
inchikey: YADOEPHJIBKBCN-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000036

4-chloor-3-nitroaniline
iupac name: 4-Chloro-3-nitroaniline @en
inchikey: FOHHWGVAOVDVLP-UHFFFAOYSA-N
cas number: 635-22-3
type: Concept
broader: CHEMONTID_0000036
smiles: C1=CC(=C(C=C1N)[N+](=O)[O-])Cl
type: ChemicalSubstance
formula: C6H5ClN2O2
type: ChemicalCompound
inchi: InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
pubchem: 12477
notation: 4Cl3NO2An
in scheme: Conceptschema Chemische Stoffen

dioctyltin
alternative label: dioctyltin (kation)
pubchem: 27681
broader: CHEMONTID_0001524
inchikey: HGQSXVKHVMGQRG-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 15231-44-4
formula: C16H34Sn
type: Concept
notation: DC8ySn
iupac name: dioctyltin @en
inchi: InChI=1S/2C8H17.Sn/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;
smiles: CCCCCCCC[Sn]CCCCCCCC
in scheme: Conceptschema Chemische Stoffen
cas number: 94410-05-6
type: ChemicalCompound

fenylaceton
iupac name: 1-phenylpropan-2-one @en
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 103-79-7
smiles: CC(=O)CC1=CC=CC=C1
inchikey: QCCDLTOVEPVEJK-UHFFFAOYSA-N
broader: CHEMONTID_0002811
cas number: 136675-26-8
notation: Fyactn
type: ChemicalCompound
inchi: InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
formula: C9H10O
pubchem: 7678

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

2-chloortolueen
inchikey: IBSQPLPBRSHTTG-UHFFFAOYSA-N
notation: 2ClTol
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001099
cas number: 95-49-8
inchi: InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
type: ChemicalSubstance
formula: C7H7Cl
smiles: CC1=CC=CC=C1Cl
iupac name: 1-Chloro-2-methylbenzene @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 7238

gentisinezuur
type: ChemicalCompound
type: Concept
cas number: 490-79-9
pubchem: 3469
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)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001248
smiles: C1=CC(=C(C=C1O)C(=O)O)O
inchikey: WXTMDXOMEHJXQO-UHFFFAOYSA-N
notation: gentsnzr
type: ChemicalSubstance
iupac name: 2,5-Dihydroxybenzoic acid @en

gabapentine
type: ChemicalCompound
broader: CHEMONTID_0001880
iupac name: 2-[1-(aminomethyl)cyclohexyl]acetic acid @en
smiles: C1CCC(CC1)(CC(=O)O)CN
cas number: 60142-96-3
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
inchikey: UGJMXCAKCUNAIE-UHFFFAOYSA-N
formula: C9H17NO2
type: ChemicalSubstance
pubchem: 3446
notation: gabptne
type: Concept

itraconazol
inchikey: VHVPQPYKVGDNFY-ZPGVKDDISA-N
type: ChemicalSubstance
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
cas number: 84625-61-6
broader: CHEMONTID_0001984
formula: C35H38Cl2N8O4
type: ChemicalCompound
cas number: 84604-65-9
pubchem: 55283
in scheme: Conceptschema Chemische Stoffen
type: Concept

ytterbium
type: Concept
cas number: 110424-81-2
type: ChemicalSubstance
pubchem: 23992
inchi: InChI=1S/Yb
type: ChemicalCompound
cas number: 7440-64-4
inchikey: NAWDYIZEMPQZHO-UHFFFAOYSA-N
broader: CHEMONTID_0000429
smiles: [Yb]
in scheme: Conceptschema Chemische Stoffen
iupac name: YTTERBIUM @en
formula: Yb
notation: Yb

aramit
smiles: CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl
broader: CHEMONTID_0002811
type: Concept
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
cas number: 140-57-8
notation: armt
inchikey: YKFRAOGHWKADFJ-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: 1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite @en
pubchem: 8809
in scheme: Conceptschema Chemische Stoffen
formula: C15H23ClO4S
type: ChemicalCompound

tertiair-butylbenzeen
inchi: InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
type: ChemicalSubstance
smiles: CC(C)(C)C1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
cas number: 98-06-6
formula: C10H14
type: Concept
type: ChemicalCompound
alternative label: tert-butylbenzeen
iupac name: tert-Butylbenzene @en
notation: ttC4yBen
broader: CHEMONTID_0002811
inchikey: YTZKOQUCBOVLHL-UHFFFAOYSA-N
pubchem: 7366

astatium
broader: CHEMONTID_0000432
pubchem: 5460479
formula: At
cas number: 31665-25-5
smiles: [At]
type: Concept
cas number: 7440-68-8
notation: At
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: RYXHOMYVWAEKHL-UHFFFAOYSA-N
inchi: InChI=1S/At
iupac name: astatine @en
cas number: 76971-83-0
type: ChemicalCompound

myristoleinezuur
smiles: CCCCC=CCCCCCCCC(=O)O
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: YWWVWXASSLXJHU-WAYWQWQTSA-N
broader: CHEMONTID_0002949
formula: C14H26O2
cas number: 544-64-9
notation: myrslinzr
iupac name: (Z)-Tetradec-9-enoic acid @en
type: Concept
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-
pubchem: 5281119
type: ChemicalSubstance

2-benzothiazolethiol
cas number: 4464-58-8
pubchem: 8997
type: Concept
cas number: 119170-41-1
formula: C7H5NS2
smiles: C1=CC=C2C(=C1)N=C(S2)S
cas number: 55199-93-4
cas number: 112242-83-8
type: ChemicalSubstance
broader: CHEMONTID_0000311
cas number: 81605-65-4
cas number: 12640-90-3
notation: 2benztazetol
in scheme: Conceptschema Chemische Stoffen
inchikey: YXIWHUQXZSMYRE-UHFFFAOYSA-N
cas number: 149-30-4
type: ChemicalCompound
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

1,4-dibutoxybenzeen
formula: C14H22O2
in scheme: Conceptschema Chemische Stoffen
cas number: 104-36-9
iupac name: 1,4-Dibutoxybenzene @en
broader: CHEMONTID_0002341
pubchem: 66911
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
smiles: CCCCOC1=CC=C(C=C1)OCCCC
notation: 14DC4oxBen
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
inchikey: ZROGCHDPRZRKTI-UHFFFAOYSA-N

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

2,2',3,3',4,4',5,5'-octachloorbifenyl
iupac name: 1,2,3,4-tetrachloro-5-(2,3,4,5-tetrachlorophenyl)benzene @en
formula: C12H2Cl8
type: ChemicalCompound
inchikey: DTMRKGRREZAYAP-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 35694-08-7
pubchem: 37251
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: PCB194
broader: CHEMONTID_0003030
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

9,9-dimethylxantheen
broader: CHEMONTID_0000200
type: ChemicalSubstance
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
smiles: CC1(C2=CC=CC=C2OC3=CC=CC=C31)C
type: Concept
type: ChemicalCompound
formula: C15H14O
inchikey: MTVNAPYHLASOSX-UHFFFAOYSA-N
notation: 99DC1yxtn
cas number: 19814-75-6
in scheme: Conceptschema Chemische Stoffen
pubchem: 606997

dichloorazijnzuur
smiles: C(C(=O)O)(Cl)Cl
broader: CHEMONTID_0003000
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
cas number: 42428-47-7
pubchem: 6597
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,2-Dichloroacetic acid @en
formula: C2H2Cl2O2
notation: DClHAc
inchikey: JXTHNDFMNIQAHM-UHFFFAOYSA-N
inchi: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
cas number: 79-43-6

tetrahydrothiofeen
inchi: InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2
notation: T4Htofn
pubchem: 1127
cas number: 110-01-0
type: Concept
formula: C4H8S
inchikey: RAOIDOHSFRTOEL-UHFFFAOYSA-N
iupac name: Thiolane @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0000233
smiles: C1CCSC1
type: ChemicalCompound

lood 211
formula: Pb
cas number: 15816-77-0
notation: Pb211
inchikey: WABPQHHGFIMREM-RNFDNDRNSA-N
iupac name: lead-211 @en
type: ChemicalCompound
type: Concept
pubchem: 6337094
in scheme: Conceptschema Chemische Stoffen
smiles: [Pb]
broader: CHEMONTID_0000427
inchi: InChI=1S/Pb/i1+4
type: ChemicalSubstance

chrysotiel (witte asbest)
broader: CHEMONTID_0000921
notation: chrystl
cas number: 61076-97-9
pubchem: 25477
smiles: O.O[Si]([O-])([O-])[O-].O[Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]
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
type: ChemicalCompound
type: ChemicalSubstance
formula: H4Mg3O9Si2
cas number: 12001-29-5
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: CWBIFDGMOSWLRQ-UHFFFAOYSA-N

4-nitrosodifenylamine
inchikey: OIJHFHYPXWSVPF-UHFFFAOYSA-N
pubchem: 9074
type: ChemicalSubstance
formula: C12H10N2O
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O
notation: 4NO2sDFyAe
broader: CHEMONTID_0000284
type: ChemicalCompound
iupac name: 4-Nitroso-N-phenylaniline @en
inchi: InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
cas number: 156-10-5

triallaat
cas number: 2303-17-5
notation: Talt
inchikey: MWBPRDONLNQCFV-UHFFFAOYSA-N
type: ChemicalCompound
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
pubchem: 5543
type: ChemicalSubstance
formula: C10H16Cl3NOS
broader: CHEMONTID_0001368
iupac name: S-(2,3,3-trichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate @en
type: Concept
smiles: CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl
in scheme: Conceptschema Chemische Stoffen

pentachlooranisol
formula: C7H3Cl5O
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000138
inchikey: BBABSCYTNHOKOG-UHFFFAOYSA-N
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
cas number: 1825-21-4
pubchem: 15767
notation: PeClansl
smiles: COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

mangaan 52
type: Concept
inchikey: PWHULOQIROXLJO-OIOBTWANSA-N
type: ChemicalSubstance
notation: Mn52
inchi: InChI=1S/Mn/i1-3
in scheme: Conceptschema Chemische Stoffen
cas number: 14092-99-0
iupac name: manganese-52 @en
smiles: [Mn]
broader: CHEMONTID_0000426
type: ChemicalCompound
formula: Mn
pubchem: 115131

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

cyhalothrin
in scheme: Conceptschema Chemische Stoffen
inchikey: ZXQYGBMAQZUVMI-UNOMPAQXSA-N
pubchem: 5281873
type: ChemicalSubstance
notation: cyhltn
formula: C23H19ClF3NO3
cas number: 68085-85-8
type: Concept
broader: CHEMONTID_0001461
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
type: ChemicalCompound

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

diazepam
notation: valum
type: ChemicalCompound
broader: CHEMONTID_0004097
cas number: 53320-84-6
in scheme: Conceptschema Chemische Stoffen
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
inchikey: AAOVKJBEBIDNHE-UHFFFAOYSA-N
pubchem: 3016
iupac name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one @en
type: Concept
alternative label: valium
cas number: 439-14-5
cas number: 11100-37-1
type: ChemicalSubstance
formula: C16H13ClN2O

trimethylamine
inchi: InChI=1S/C3H9N/c1-4(2)3/h1-3H3
iupac name: N,N-dimethylmethanamine @en
notation: TC1yAe
in scheme: Conceptschema Chemische Stoffen
formula: C3H9N
type: ChemicalSubstance
broader: CHEMONTID_0002239
inchikey: GETQZCLCWQTVFV-UHFFFAOYSA-N
smiles: CN(C)C
pubchem: 1146
cas number: 4558-12-7
type: Concept
type: ChemicalCompound
cas number: 75-50-3

mepiquatchloride
broader: CHEMONTID_0000195
type: Concept
smiles: C[N+]1(CCCCC1)C.[Cl-]
alternative label: mepiquat
type: ChemicalCompound
type: ChemicalSubstance
notation: mepqat
in scheme: Conceptschema Chemische Stoffen
cas number: 24307-26-4
iupac name: 1,1-dimethylpiperidin-1-ium chloride @en
formula: C7H16ClN
inchikey: VHOVSQVSAAQANU-UHFFFAOYSA-M
cas number: 15302-91-7
notation: mepqCl
inchi: InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
pubchem: 62781

c.i. direct blue 14
type: ChemicalSubstance
broader: CHEMONTID_0000041
cas number: 72-57-1
type: Concept
cas number: 179472-55-0
pubchem: 9562061
notation: cidbe14
formula: C34H24N6Na4O14S4
in scheme: Conceptschema Chemische Stoffen
alternative label: C.I. Direct Blue 14
type: ChemicalCompound
inchikey: WMYVHJWZUUEZNE-ARWFNKCKSA-J
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

pentacosaan
cas number: 629-99-2
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
iupac name: PENTACOSANE @en
inchikey: YKNWIILGEFFOPE-UHFFFAOYSA-N
smiles: CCCCCCCCCCCCCCCCCCCCCCCCC
broader: CHEMONTID_0002500
pubchem: 12406
notation: C25a
in scheme: Conceptschema Chemische Stoffen
formula: C25H52

bromadiolon
inchikey: IUZFQERQUZLNKQ-UHFFFAOYSA-N
broader: CHEMONTID_0002651
pubchem: 34322
type: ChemicalSubstance
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
notation: bromdoln
cas number: 28772-56-7
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
iupac name: 3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-2-hydroxychromen-4-one @en
formula: C30H23BrO4

styreen
cas number: 68987-41-7
is referenced by: LUC IV 011
pubchem: 7501
cas number: 100-42-5
cas number: 68441-35-0
is referenced by: LUC IV 001
smiles: C=CC1=CC=CC=C1
cas number: 12770-88-6
type: Concept
broader: CHEMONTID_0000037
inchi: InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2
inchikey: PPBRXRYQALVLMV-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
alternative label: polystyreen
cas number: 9003-53-6
cas number: 79637-11-9
formula: C8H8
notation: polstyrn
is referenced by: LUC IV 000
iupac name: Ethenylbenzene @en
notation: styrn

clomipramine
inchikey: GDLIGKIOYRNHDA-UHFFFAOYSA-N
iupac name: 3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine @en
smiles: CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
pubchem: 2801
cas number: 83162-38-3
cas number: 303-49-1
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
formula: C19H23ClN2
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: clompmne
broader: CHEMONTID_0000320

propazine
notation: propzne
type: ChemicalCompound
broader: CHEMONTID_0004734
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)
smiles: CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 4937
iupac name: 6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en
cas number: 139-40-2
type: Concept
inchikey: WJNRPILHGGKWCK-UHFFFAOYSA-N
formula: C9H16ClN5

metformine
iupac name: 3-(diaminomethylidene)-1,1-dimethylguanidine @en
pubchem: 4091
notation: metfmne
smiles: CN(C)C(=N)N=C(N)N
type: ChemicalCompound
formula: C4H11N5
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchi: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
broader: CHEMONTID_0000474
cas number: 4931-70-8
inchikey: XZWYZXLIPXDOLR-UHFFFAOYSA-N
type: Concept
cas number: 657-24-9

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

gadolinium 153
notation: Gd153
in scheme: Conceptschema Chemische Stoffen
inchikey: UIWYJDYFSGRHKR-AHCXROLUSA-N
iupac name: gadolinium-153 @en
type: ChemicalCompound
type: Concept
formula: Gd
pubchem: 161049
inchi: InChI=1S/Gd/i1-4
type: ChemicalSubstance
cas number: 14276-65-4
smiles: [Gd]
broader: CHEMONTID_0000429

sulcofuron
type: ChemicalSubstance
broader: CHEMONTID_0004155
in scheme: Conceptschema Chemische Stoffen
notation: sulcfrn
inchikey: MKUMTCOTMQPYTQ-UHFFFAOYSA-N
cas number: 24019-05-4
pubchem: 62506
iupac name: 5-chloro-2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonic acid @en
type: Concept
formula: C19H12Cl4N2O5S
type: ChemicalCompound

boorzuur
inchikey: KGBXLFKZBHKPEV-UHFFFAOYSA-N
broader: CHEMONTID_0001476
type: ChemicalCompound
type: ChemicalSubstance
smiles: B(O)(O)O
cas number: 11113-50-1
type: Concept
iupac name: Boric acid @en
formula: BH3O3
cas number: 11129-12-7
in scheme: Conceptschema Chemische Stoffen
notation: boorzr
cas number: 13813-79-1
cas number: 10043-35-3
pubchem: 7628
cas number: 13460-50-9
inchi: InChI=1S/BH3O3/c2-1(3)4/h2-4H
cas number: 12795-04-9

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

cyazofamide
type: ChemicalCompound
type: ChemicalSubstance
notation: cyazfAd
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002327
pubchem: 9862076
type: Concept
cas number: 120116-88-3
inchikey: YXKMMRDKEKCERS-UHFFFAOYSA-N
iupac name: 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide @en
formula: C13H13ClN4O2S

2,3-epoxypropyltrimethylammoniumchloride
smiles: C[N+](C)(C)CC1CO1.[Cl-]
type: Concept
cas number: 51838-31-4
type: ChemicalCompound
broader: CHEMONTID_0004225
cas number: 3033-77-0
in scheme: Conceptschema Chemische Stoffen
iupac name: trimethyl-(oxiran-2-ylmethyl)azanium chloride @en
cas number: 129829-22-7
cas number: 37229-18-8
notation: 23epOxC3yTC1
type: ChemicalSubstance
inchi: InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
formula: C6H14ClNO
pubchem: 18205
inchikey: PUVAFTRIIUSGLK-UHFFFAOYSA-M

PCB 156
broader: CHEMONTID_0003030
type: ChemicalSubstance
alternative label: pcb 156
type: ChemicalCompound
formula: C12H4Cl6
pubchem: 38019
is referenced by: LUC VI 002
cas number: 38380-08-4
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
in scheme: Conceptschema Chemische Stoffen
comment: VLAR III (D3) 'dioxineachtige PCB's'
alternative label: 2,3,3',4,4',5-hexachloorbifenyl
iupac name: 1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene @en
type: Concept
inchikey: LCXMEXLGMKFLQO-UHFFFAOYSA-N
notation: PCB156

monuron
smiles: CN(C)C(=O)NC1=CC=C(C=C1)Cl
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: monrn
inchikey: BMLIZLVNXIYGCK-UHFFFAOYSA-N
type: Concept
iupac name: 3-(4-Chlorophenyl)-1,1-dimethylurea @en
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)
broader: CHEMONTID_0001935
cas number: 150-68-5
pubchem: 8800
formula: C9H11ClN2O
type: ChemicalCompound

dichloormethaan
type: Concept
cas number: 75-09-2
inchikey: YMWUJEATGCHHMB-UHFFFAOYSA-N
iupac name: Dichloromethane @en
comment: VLAR II Art. 5.23.1.1.
cas number: 1605-72-7
inchi: InChI=1S/CH2Cl2/c2-1-3/h1H2
is referenced by: LUC IV 000co:WAC IV B 040
notation: DClC1a
is referenced by: LUC IV 002
pubchem: 6344
type: ChemicalCompound
is referenced by: LUC IV 011
comment: VLAR II Art. 5.4.3.1.4 'methyleenchloride'
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: CH2Cl2
comment: VLAR II bijl. 4.4.2
smiles: C(Cl)Cl
broader: CHEMONTID_0004157

glimepiride
formula: C24H34N4O5S
type: ChemicalSubstance
cas number: 93479-97-1
notation: glimprde
inchikey: WIGIZIANZCJQQY-UHFFFAOYSA-N
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)
broader: CHEMONTID_0000031
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 3476

propyleenglycolmonoethyletheracetaat
notation: PGEEA
type: ChemicalSubstance
smiles: CCOCC(C)OC(=O)C
cas number: 54839-24-6
broader: CHEMONTID_0001238
type: ChemicalCompound
pubchem: 171378
in scheme: Conceptschema Chemische Stoffen
formula: C7H14O3
iupac name: 1-ethoxypropan-2-yl acetate @en
inchikey: LIPRQQHINVWJCH-UHFFFAOYSA-N
type: Concept
inchi: InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3

krypton
notation: Kr
type: Concept
type: ChemicalCompound
cas number: 50938-65-3
cas number: 7439-90-9
type: ChemicalSubstance
broader: CHEMONTID_0000433
inchikey: DNNSSWSSYDEUBZ-UHFFFAOYSA-N
iupac name: KRYPTON @en
formula: Kr
pubchem: 5416
smiles: [Kr]
inchi: InChI=1S/Kr
in scheme: Conceptschema Chemische Stoffen

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

thorium 228
notation: Th228
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 61724
type: ChemicalCompound
type: Concept
formula: Th
inchikey: ZSLUVFAKFWKJRC-AHCXROLUSA-N
broader: CHEMONTID_0000430
iupac name: thorium-228 @en
smiles: [Th]
cas number: 14274-82-9
inchi: InChI=1S/Th/i1-4

natriumbromaat
in scheme: Conceptschema Chemische Stoffen
iupac name: SODIUM BROMATE @en
type: ChemicalCompound
inchikey: XUXNAKZDHHEHPC-UHFFFAOYSA-M
type: ChemicalSubstance
cas number: 38869-76-0
inchi: InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
cas number: 7789-38-0
formula: BrNaO3
smiles: [O-]Br(=O)=O.[Na+]
cas number: 38869-75-9
broader: CHEMONTID_0000631
type: Concept
notation: NaBrO3
pubchem: 24607

neptunium
broader: CHEMONTID_0000430
inchi: InChI=1S/Np
type: ChemicalSubstance
cas number: 7439-99-8
in scheme: Conceptschema Chemische Stoffen
notation: Np
inchikey: LFNLGNPSGWYGGD-UHFFFAOYSA-N
formula: Np
type: ChemicalCompound
cas number: 22541-66-8
smiles: [Np]
iupac name: NEPTUNIUM @en
cas number: 22537-61-7
pubchem: 23933
type: Concept

2,2',3,4,4',5'-hexachloorbifenyl
is referenced by: CMA 3 I
alternative label: pcb 138
alternative label: pcb-138
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
type: ChemicalSubstance
pubchem: 37035
inchikey: RPUMZMSNLZHIGZ-UHFFFAOYSA-N
broader: CHEMONTID_0003030
cas number: 35065-28-2
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene @en
formula: C12H4Cl6
notation: PCB138
alternative label: 2,2',3,4,4',5'-hexachloorbifenyl (pcb138)
alternative label: PCB-138
type: Concept
is referenced by: LUC VI 002
type: ChemicalCompound

dicycloverine
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001238
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
formula: C19H35NO2
cas number: 77-19-0
iupac name: 2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate @en
notation: Dccvrne
inchikey: CURUTKGFNZGFSE-UHFFFAOYSA-N
cas number: 104959-55-9
in scheme: Conceptschema Chemische Stoffen
smiles: CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
type: ChemicalSubstance
pubchem: 3042

antrachinon
notation: antcnn
smiles: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O
formula: C14H8O2
type: Concept
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
type: ChemicalCompound
broader: CHEMONTID_0000151
cas number: 790240-52-7
inchikey: RZVHIXYEVGDQDX-UHFFFAOYSA-N
cas number: 84-65-1
pubchem: 6780
in scheme: Conceptschema Chemische Stoffen
iupac name: anthracene-9,10-dione @en
type: ChemicalSubstance

4-tertiair-octylfenol
type: Concept
cas number: 37769-53-2
pubchem: 8814
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
cas number: 85771-77-3
formula: C14H22O
inchikey: ISAVYTVYFVQUDY-UHFFFAOYSA-N
broader: CHEMONTID_0002811
iupac name: 4-(2,4,4-trimethylpentan-2-yl)phenol @en
smiles: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
alternative label: 4-tert-octylfenol
cas number: 140-66-9
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 4ttC8yFol

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

tritriacontaan
formula: C33H68
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
iupac name: Tritriacontane @en
in scheme: Conceptschema Chemische Stoffen
inchikey: SUJUOAZFECLBOA-UHFFFAOYSA-N
type: ChemicalCompound
notation: C33a
cas number: 630-05-7
type: ChemicalSubstance
pubchem: 12411
broader: CHEMONTID_0002500
type: Concept

bromacil
in scheme: Conceptschema Chemische Stoffen
cas number: 314-40-9
smiles: CCC(C)N1C(=O)C(=C(NC1=O)C)Br
iupac name: 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione @en
inchikey: CTSLUCNDVMMDHG-UHFFFAOYSA-N
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)
type: ChemicalCompound
broader: CHEMONTID_0001893
type: ChemicalSubstance
type: Concept
notation: bromcl
pubchem: 9411
formula: C9H13BrN2O2

dimethoxymethaan
pubchem: 8020
formula: C3H8O2
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 109-87-5
broader: CHEMONTID_0001656
notation: DC1oxC1a
in scheme: Conceptschema Chemische Stoffen
inchikey: NKDDWNXOKDWJAK-UHFFFAOYSA-N
smiles: COCOC
iupac name: Dimethoxymethane @en
inchi: InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3

naftaleen
formula: C10H8
type: ChemicalCompound
smiles: C1=CC=C2C=CC=CC2=C1
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 001
type: Concept
cas number: 72931-45-4
type: ChemicalSubstance
inchikey: UFWIBTONFRDIAS-UHFFFAOYSA-N
comment: VLAREM II bijlage 4.4.2
cas number: 68412-25-9
notation: Naf
inchi: InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
iupac name: NAPHTHALENE @en
broader: CHEMONTID_0000023
pubchem: 931
cas number: 91-20-3

mesosulfuron-methyl
formula: C17H21N5O9S2
cas number: 208465-21-8
in scheme: Conceptschema Chemische Stoffen
inchikey: NIFKBBMCXCMCAO-UHFFFAOYSA-N
broader: CHEMONTID_0004705
type: ChemicalCompound
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)
pubchem: 11409499
type: Concept
notation: messfrnC1y
iupac name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate @en
type: ChemicalSubstance

2-(1,1-dimethylethyl)-5-methylfenol
inchikey: XOUQAVYLRNOXDO-UHFFFAOYSA-N
formula: C11H16O
pubchem: 6937
iupac name: 2-tert-Butyl-5-methylphenol @en
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=C(C=C1)C(C)(C)C)O
broader: CHEMONTID_0002811
type: Concept
cas number: 88-60-8
inchi: InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3
type: ChemicalSubstance
notation: 211DC1yC2y5C
type: ChemicalCompound

bioresmethrin
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
cas number: 10453-86-8
pubchem: 5053
formula: C22H26O3
notation: resmtn
broader: CHEMONTID_0000051
alternative label: resmethrin
notation: biormtn
in scheme: Conceptschema Chemische Stoffen
cas number: 28434-01-7
type: Concept
iupac name: [5-(phenylmethyl)furan-3-yl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
cas number: 10453-54-0
cas number: 24380-84-5
inchikey: VEMKTZHHVJILDY-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance

1,2-benzothiazool-3-on
cas number: 54392-14-2
inchi: InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
broader: CHEMONTID_0000311
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 12benztaz3o
inchikey: DMSMPAJRVJJAGA-UHFFFAOYSA-N
cas number: 75037-67-1
cas number: 40991-37-5
cas number: 101964-01-6
iupac name: 1,2-benzothiazol-3-one @en
cas number: 2634-33-5
type: Concept
pubchem: 17520
type: ChemicalCompound
smiles: C1=CC=C2C(=C1)C(=O)NS2
formula: C7H5NOS

pravastatine
type: ChemicalSubstance
type: ChemicalCompound
formula: C23H36O7
notation: pravstne
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
inchikey: TUZYXOIXSAXUGO-PZAWKZKUSA-N
broader: CHEMONTID_0000299
pubchem: 54687
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
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 81093-37-0

cesium 137
pubchem: 5486527
notation: Cs137
type: Concept
iupac name: cesium-137 @en
type: ChemicalSubstance
cas number: 10045-97-3
inchi: InChI=1S/Cs/i1+4
formula: Cs
inchikey: TVFDJXOCXUVLDH-RNFDNDRNSA-N
broader: CHEMONTID_0000425
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: [Cs]

goud 198
notation: Au198
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: PCHJSUWPFVWCPO-OUBTZVSYSA-N
inchi: InChI=1S/Au/i1+1
type: ChemicalSubstance
broader: CHEMONTID_0000426
pubchem: 66274
type: ChemicalCompound
cas number: 10043-49-9
iupac name: gold-198 @en
formula: Au
smiles: [Au]

heptylbenzeen
type: ChemicalCompound
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
smiles: CCCCCCCC1=CC=CC=C1
cas number: 1078-71-3
pubchem: 14115
broader: CHEMONTID_0002279
iupac name: Heptylbenzene @en
inchikey: LBNXAWYDQUGHGX-UHFFFAOYSA-N
type: Concept
notation: C7yBen
in scheme: Conceptschema Chemische Stoffen
formula: C13H20
type: ChemicalSubstance

2,3,5-trichlooraniline
in scheme: Conceptschema Chemische Stoffen
pubchem: 87676
notation: 235TClAn
type: ChemicalSubstance
inchi: InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(9)5(10)2-3/h1-2H,10H2
cas number: 18487-39-3
type: ChemicalCompound
iupac name: 2,3,5-Trichloroaniline @en
broader: CHEMONTID_0000284
inchikey: MOTBXEPLFOLWHZ-UHFFFAOYSA-N
type: Concept
formula: C6H4Cl3N
smiles: C1=C(C=C(C(=C1N)Cl)Cl)Cl

2,2',5,5'-tetramethyl-1,1'-bifenyl
in scheme: Conceptschema Chemische Stoffen
cas number: 3075-84-1
formula: C16H18
notation: 2255T4C1y11b
iupac name: 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene @en
broader: CHEMONTID_0000041
type: ChemicalCompound
pubchem: 137818
smiles: CC1=CC(=C(C=C1)C)C2=C(C=CC(=C2)C)C
inchikey: ZHTROMYSDSTCCE-UHFFFAOYSA-N
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
type: ChemicalSubstance
type: Concept

1-octeen
inchikey: KWKAKUADMBZCLK-UHFFFAOYSA-N
cas number: 68527-00-4
pubchem: 8125
type: Concept
type: ChemicalSubstance
cas number: 111-66-0
notation: 1C8e
broader: CHEMONTID_0004476
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
is referenced by: LUC IV 000
iupac name: oct-1-ene @en
cas number: 68526-54-5
smiles: CCCCCCC=C
is referenced by: LUC IV 011
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 005
inchi: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
formula: C8H16

tribenzylamine
cas number: 620-40-6
type: Concept
broader: CHEMONTID_0000185
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-phenyl-N,N-bis(phenylmethyl)methanamine @en
formula: C21H21N
type: ChemicalSubstance
inchikey: MXHTZQSKTCCMFG-UHFFFAOYSA-N
notation: TbenzAe
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
type: ChemicalCompound
pubchem: 24321

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

monolinuron
smiles: CN(C(=O)NC1=CC=C(C=C1)Cl)OC
type: ChemicalCompound
formula: C9H11ClN2O2
cas number: 56449-36-6
iupac name: 3-(4-Chlorophenyl)-1-methoxy-1-methylurea @en
pubchem: 15629
broader: CHEMONTID_0001935
type: ChemicalSubstance
type: Concept
cas number: 1746-81-2
inchikey: LKJPSUCKSLORMF-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
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)
notation: Mlnrn

3-ethyltolueen
type: Concept
iupac name: 1-Ethyl-3-methylbenzene @en
inchi: InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
inchikey: ZLCSFXXPPANWQY-UHFFFAOYSA-N
smiles: CCC1=CC=CC(=C1)C
pubchem: 12100
in scheme: Conceptschema Chemische Stoffen
notation: 3C2yTol
type: ChemicalCompound
formula: C9H12
type: ChemicalSubstance
cas number: 620-14-4
broader: CHEMONTID_0001091

difenylnitrosamine
inchi: InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
broader: CHEMONTID_0000113
cas number: 86-30-6
formula: C12H10N2O
pubchem: 6838
smiles: C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: DFyNOAe
inchikey: UBUCNCOMADRQHX-UHFFFAOYSA-N
iupac name: N,N-di(phenyl)nitrous amide @en
type: ChemicalCompound

2,2-dichloorpropaan
formula: C3H6Cl2
inchi: InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3
cas number: 594-20-7
iupac name: 2,2-DICHLOROPROPANE @en
inchikey: ZEOVXNVKXIPWMS-UHFFFAOYSA-N
pubchem: 11660
type: Concept
broader: CHEMONTID_0001516
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)(Cl)Cl
notation: 22DClC3a

carboxin
in scheme: Conceptschema Chemische Stoffen
notation: carbOxn
broader: CHEMONTID_0000285
formula: C12H13NO2S
inchikey: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
cas number: 5234-68-4
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)
type: ChemicalSubstance
iupac name: 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE @en
type: ChemicalCompound
smiles: CC1=C(SCCO1)C(=O)NC2=CC=CC=C2
pubchem: 21307
type: Concept

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

triamcinolon
in scheme: Conceptschema Chemische Stoffen
inchikey: GFNANZIMVAIWHM-OBYCQNJPSA-N
notation: Tacnln
cas number: 83474-03-7
type: Concept
type: ChemicalCompound
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
formula: C21H27FO6
broader: CHEMONTID_0003095
type: ChemicalSubstance
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
pubchem: 31307
cas number: 124-94-7

para-xyleen
cas number: 68411-39-2
smiles: CC1=CC=C(C=C1)C
type: ChemicalSubstance
pubchem: 7809
type: ChemicalCompound
cas number: 106-42-3
is referenced by: LUC IV 000
iupac name: 1,4-Dimethylbenzene @en
type: Concept
inchi: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
cas number: 68650-36-2
is referenced by: LUC IV 001
alternative label: 1,4-Dimethylbenzeen
alternative label: 1,4-xyleen
inchikey: URLKBWYHVLBVBO-UHFFFAOYSA-N
notation: 14xyln
is referenced by: LUC IV 011
comment: VLAR II bijl. 4.4.2 'xylenen'
formula: C8H10
broader: CHEMONTID_0004211
alternative label: p-xyleen
in scheme: Conceptschema Chemische Stoffen

sulfamethizol
pubchem: 5328
cas number: 144-82-1
type: ChemicalCompound
broader: CHEMONTID_0001925
iupac name: 4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide @en
type: ChemicalSubstance
smiles: CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
inchikey: VACCAVUAMIDAGB-UHFFFAOYSA-N
formula: C9H10N4O2S2
in scheme: Conceptschema Chemische Stoffen
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)
notation: sulfmtzl
type: Concept

4,4'-dichloordifenylsulfon
type: ChemicalCompound
smiles: C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl
formula: C12H8Cl2O2S
cas number: 80-07-9
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
notation: 44DClDFysfn
in scheme: Conceptschema Chemische Stoffen
pubchem: 6625
inchikey: GPAPPPVRLPGFEQ-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 85228-26-8
type: Concept
iupac name: 1-chloro-4-(4-chlorophenyl)sulfonylbenzene @en
broader: CHEMONTID_0004233

natriumhypochloriet pentahydraat
cas number: 10022-70-5
type: Concept
broader: CHEMONTID_0000640
in scheme: Conceptschema Chemische Stoffen
formula: ClH10NaO6
inchi: InChI=1S/ClO.Na.5H2O/c1-2;;;;;;/h;;5*1H2/q-1;+1;;;;;
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 61432
notation: NaClO5H2O
iupac name: Sodium hypochlorite pentahydrate @en
inchikey: FHKLOBNGYGFRSF-UHFFFAOYSA-N
smiles: O.O.O.O.O.[O-]Cl.[Na+]

2,4,7,9-tetramethyl-5-decyn-4,7-diol
cas number: 171023-04-4
type: ChemicalCompound
iupac name: 2,4,7,9-Tetramethyldec-5-yne-4,7-diol @en
broader: CHEMONTID_0001373
smiles: CC(C)CC(C)(C#CC(C)(CC(C)C)O)O
cas number: 37211-43-1
cas number: 166737-17-3
pubchem: 31362
inchikey: LXOFYPKXCSULTL-UHFFFAOYSA-N
cas number: 126-86-3
in scheme: Conceptschema Chemische Stoffen
cas number: 8043-35-4
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
type: ChemicalSubstance
type: Concept
notation: 2479T4C1y5dc
cas number: 61879-19-4
formula: C14H26O2

cyanofos
pubchem: 17522
cas number: 54578-39-1
type: Concept
type: ChemicalCompound
smiles: COP(=S)(OC)OC1=CC=C(C=C1)C#N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 12692-90-9
cas number: 2636-26-2
broader: CHEMONTID_0004748
inchikey: SCKHCCSZFPSHGR-UHFFFAOYSA-N
formula: C9H10NO3PS
iupac name: 4-dimethoxyphosphinothioyloxybenzonitrile @en
inchi: InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
notation: cyanfs

dimethylsulfamide
type: Concept
notation: DC1ysAd
formula: C2H8N2O2S
iupac name: (methyl-sulfamoylamino)methane @en
type: ChemicalCompound
smiles: CN(C)S(=O)(=O)N
broader: CHEMONTID_0001183
pubchem: 134472
inchi: InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)
in scheme: Conceptschema Chemische Stoffen
inchikey: QMHAHUAQAJVBIW-UHFFFAOYSA-N
cas number: 3984-14-3
type: ChemicalSubstance

2-methyl-2-butaanthiol
notation: 2C1yl2C4atol
inchikey: IQIBYAHJXQVQGB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0001212
pubchem: 15511
formula: C5H12S
iupac name: 2-Methylbutane-2-thiol @en
type: ChemicalCompound
cas number: 1679-09-0
type: Concept
inchi: InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3
smiles: CCC(C)(C)S

triflumuron
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 47445
formula: C15H10ClF3N2O3
notation: Tfmrn
inchikey: XAIPTRIXGHTTNT-UHFFFAOYSA-N
cas number: 64628-44-0
type: Concept
broader: CHEMONTID_0004513
in scheme: Conceptschema Chemische Stoffen

flumethrin
formula: C28H22Cl2FNO3
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001461
type: ChemicalCompound
notation: flumtn
pubchem: 6033664
type: ChemicalSubstance
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
cas number: 69770-45-2
inchikey: YXWCBRDRVXHABN-JCMHNJIXSA-N

1-chloor-3-nitrobenzeen
broader: CHEMONTID_0000036
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 121-73-3
notation: 1Cl3NO2Ben
iupac name: 1-Chloro-3-nitrobenzene @en
smiles: C1=CC(=CC(=C1)Cl)[N+](=O)[O-]
inchi: InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
inchikey: KMAQZIILEGKYQZ-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 8489
formula: C6H4ClNO2
type: ChemicalSubstance

aceetamide
type: Concept
notation: actAd
type: ChemicalSubstance
smiles: CC(=O)N
inchi: InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
iupac name: ACETAMIDE @en
broader: CHEMONTID_0002484
inchikey: DLFVBJFMPXGRIB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 60-35-5
type: ChemicalCompound
formula: C2H5NO
pubchem: 178

4-butoxyfenol
in scheme: Conceptschema Chemische Stoffen
notation: 4C4oxFol
type: Concept
inchi: InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
inchikey: MBGGFXOXUIDRJD-UHFFFAOYSA-N
iupac name: 4-Butoxyphenol @en
formula: C10H14O2
smiles: CCCCOC1=CC=C(C=C1)O
cas number: 122-94-1
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 31233
broader: CHEMONTID_0004628

adenosine-trifosfaat
pubchem: 238
broader: CHEMONTID_0001619
notation: ATP
cas number: 56-65-5
type: ChemicalCompound
iupac name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate @en
type: Concept
inchikey: ZKHQWZAMYRWXGA-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C10H16N5O13P3

2-methoxyethylacetaat
inchi: InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3
type: ChemicalSubstance
cas number: 32718-56-2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: CC(=O)OCCOC
formula: C5H10O3
cas number: 110-49-6
type: Concept
iupac name: 2-Methoxyethyl acetate @en
inchikey: XLLIQLLCWZCATF-UHFFFAOYSA-N
pubchem: 8054
notation: 2C1oxC2yactt
broader: CHEMONTID_0001238

metconazool
inchikey: XWPZUHJBOLQNMN-UHFFFAOYSA-N
broader: CHEMONTID_0001565
iupac name: 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol @en
type: ChemicalSubstance
formula: C17H22ClN3O
cas number: 125116-23-6
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
pubchem: 86210
notation: metcnzl

waterstofsulfide
cas number: 12767-24-7
broader: CHEMONTID_0000555
pubchem: 402
cas number: 57035-13-9
iupac name: hydrogen sulfide @en
cas number: 7704-34-9
type: Concept
notation: S8
alternative label: octylzwavel
cas number: 63705-05-5
cas number: 13465-07-1
cas number: 7783-06-4
cas number: 56449-52-6
cas number: 12673-82-4
cas number: 81032-32-8
cas number: 8050-82-6
comment: VLAR III (D3) 'zwavelwaterstof'
cas number: 56645-30-8
comment: VLAREM II bijlage 4.4.2 'zwavelwaterstof'
smiles: S
type: ChemicalCompound
formula: H2S
inchi: InChI=1S/H2S/h1H2
cas number: 11144-15-3
comment: VLAR III (D3, diverse art) 'H2S' en 'H2S-gehalte'
notation: H2S
cas number: 56591-09-4
in scheme: Conceptschema Chemische Stoffen
inchikey: RWSOTUBLDIXVET-UHFFFAOYSA-N
cas number: 12684-31-0
type: ChemicalSubstance
alternative label: waterstofsulfide (H2S)
comment: VLAR II Art. 5.28.3.5.1 'H2S'
comment: VLAR II Art. 5.7.14.1

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

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

calciumcyanamide
smiles: C(#N)N.[Ca+2]
formula: CH2CaN2+2
pubchem: 21917771
iupac name: CALCIUM CYANAMIDE @en
inchikey: STRTXDFFNXSZQB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
notation: CacaAd
inchi: InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;/q;+2
cas number: 156-62-7
type: ChemicalCompound

1-ethoxy-2-propanol
broader: CHEMONTID_0001661
cas number: 1569-02-4
notation: 1C2ox2C3ol
iupac name: 1-Ethoxypropan-2-ol @en
inchi: InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3
smiles: CCOCC(C)O
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C5H12O2
inchikey: JOLQKTGDSGKSKJ-UHFFFAOYSA-N
pubchem: 15287

tetramethylbutaandinitril
pubchem: 18745
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchi: InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3
formula: C8H12N2
inchikey: ZVQXQPNJHRNGID-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 3333-52-6
smiles: CC(C)(C#N)C(C)(C)C#N
broader: CHEMONTID_0000362
notation: T4C1yC4aDntl
iupac name: 2,2,3,3-Tetramethylbutanedinitrile @en
type: ChemicalCompound

lawrencium
type: ChemicalSubstance
inchikey: CNQCVBJFEGMYDW-UHFFFAOYSA-N
smiles: [Lr]
cas number: 22537-19-5
iupac name: LAWRENCIUM @en
pubchem: 31192
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: Lr
broader: CHEMONTID_0000430
formula: Lr
inchi: InChI=1S/Lr
type: ChemicalCompound

glyfosaat-trimesium
broader: CHEMONTID_0000060
iupac name: 2-(phosphonomethylamino)acetate; trimethylsulfanium @en
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
inchikey: RUCAXVJJQQJZGU-UHFFFAOYSA-M
cas number: 81591-81-3
smiles: C[S+](C)C.C(C(=O)[O-])NCP(=O)(O)O
type: Concept
pubchem: 105048
type: ChemicalSubstance
cas number: 87090-28-6
notation: glyfsTmsm
formula: C6H16NO5PS
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

2,2',5-trichloorbifenyl
type: Concept
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 37680-65-2
iupac name: 1,4-dichloro-2-(2-chlorophenyl)benzene @en
formula: C12H7Cl3
notation: PCB18
type: ChemicalCompound
smiles: C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl
pubchem: 37803
inchi: InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H
inchikey: DCMURXAZTZQAFB-UHFFFAOYSA-N

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

dithianon
cas number: 11096-35-8
notation: Dtann
pubchem: 18771
inchikey: PYZSVQVRHDXQSL-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
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
broader: CHEMONTID_0000023
iupac name: 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile @en
smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N
cas number: 95591-89-2
cas number: 3347-22-6

2,4-dichloorfenol
type: Concept
pubchem: 8449
iupac name: 2,4-Dichlorophenol @en
type: ChemicalCompound
formula: C6H4Cl2O
type: ChemicalSubstance
inchikey: HFZWRUODUSTPEG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 120-83-2
smiles: C1=CC(=C(C=C1Cl)Cl)O
inchi: InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
broader: CHEMONTID_0002564
notation: 24DClFol

dichloorprop-P
smiles: CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
alternative label: dichloorprop-p
formula: C9H8Cl2O3
inchikey: MZHCENGPTKEIGP-RXMQYKEDSA-N
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0004676
type: ChemicalSubstance
iupac name: (2R)-2-(2,4-dichlorophenoxy)propanoic acid @en
notation: DClppP
pubchem: 119435
cas number: 15165-67-0
in scheme: Conceptschema Chemische Stoffen
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

pcb-101
alternative label: 2,2',4,5,5'-pentachloorbifenyl
alternative label: pcb 101
alternative label: PCB-101
is referenced by: CMA 3 I
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
broader: CHEMONTID_0003030
inchikey: LAHWLEDBADHJGA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 002
type: ChemicalCompound
cas number: 37680-73-2
alternative label: 2,2',4,5,5'-pentachloorbifenyl (pcb101)
formula: C12H5Cl5
iupac name: 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene @en
type: Concept
pubchem: 37807
notation: PCB101
type: ChemicalSubstance

tetraconazool
type: Concept
notation: T4cnzl
formula: C13H11Cl2F4N3O
iupac name: 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole @en
inchikey: LQDARGUHUSPFNL-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0002564
cas number: 112281-77-3
pubchem: 80277
type: ChemicalSubstance

alfa-hydroxymetoprolol
type: ChemicalCompound
smiles: CC(C)NCC(COC1=CC=C(C=C1)C(COC)O)O
type: Concept
formula: C15H25NO4
inchikey: OFRYBPCSEMMZHR-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002341
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
pubchem: 114962
cas number: 56392-16-6
iupac name: 1-[4-(1-hydroxy-2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol @en
notation: aHOxmtpll

isopropylpalmitaat
type: ChemicalCompound
inchikey: XUGNVMKQXJXZCD-UHFFFAOYSA-N
broader: CHEMONTID_0000324
formula: C19H38O2
cas number: 142-91-6
smiles: CCCCCCCCCCCCCCCC(=O)OC(C)C
notation: iC3ypmtt
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 8907
iupac name: propan-2-yl hexadecanoate @en
type: Concept
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

broomazijnzuur
inchi: InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
type: ChemicalCompound
formula: C2H3BrO2
inchikey: KDPAWGWELVVRCH-UHFFFAOYSA-N
cas number: 79-08-3
broader: CHEMONTID_0003000
cas number: 418768-49-7
notation: BrHAc
in scheme: Conceptschema Chemische Stoffen
pubchem: 6227
type: ChemicalSubstance
type: Concept
smiles: C(C(=O)O)Br
iupac name: 2-Bromoacetic acid @en

methylpirimifos
type: ChemicalCompound
pubchem: 34526
type: ChemicalSubstance
type: Concept
alternative label: pirimiphos-methyl
notation: C1yprmfs
alternative label: pirimifos-methyl
formula: C11H20N3O3PS
in scheme: Conceptschema Chemische Stoffen
cas number: 29232-93-7
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
inchikey: QHOQHJPRIBSPCY-UHFFFAOYSA-N
smiles: CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C
broader: CHEMONTID_0004771
iupac name: 4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine @en

4-chloor-2-nitroaniline
inchikey: PBGKNXWGYQPUJK-UHFFFAOYSA-N
inchi: InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
cas number: 89-63-4
in scheme: Conceptschema Chemische Stoffen
notation: 4Cl2NO2An
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000036
type: ChemicalSubstance
pubchem: 6979
formula: C6H5ClN2O2
smiles: C1=CC(=C(C=C1Cl)[N+](=O)[O-])N
iupac name: 4-Chloro-2-nitroaniline @en

carbofuran
formula: C12H15NO3
type: ChemicalCompound
type: ChemicalSubstance
cas number: 1563-66-2
broader: CHEMONTID_0004189
inchikey: DUEPRVBVGDRKAG-UHFFFAOYSA-N
smiles: CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C
iupac name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate @en
notation: carbfrn
in scheme: Conceptschema Chemische Stoffen
pubchem: 2566
type: Concept
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)

tereftaalzuur diisobutylester
cas number: 18699-48-4
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
inchikey: LQKWPGAPADIOSS-UHFFFAOYSA-N
broader: CHEMONTID_0004012
notation: terfzDiC4yEs
type: ChemicalCompound
pubchem: 29218
in scheme: Conceptschema Chemische Stoffen
iupac name: bis(2-methylpropyl) benzene-1,4-dicarboxylate @en
type: ChemicalSubstance
type: Concept
formula: C16H22O4
smiles: CC(C)COC(=O)C1=CC=C(C=C1)C(=O)OCC(C)C

farnesol
cas number: 106-28-5
type: ChemicalCompound
type: ChemicalSubstance
cas number: 4602-84-0
smiles: CC(=CCCC(=CCCC(=CCO)C)C)C
broader: CHEMONTID_0001550
pubchem: 445070
type: Concept
notation: farnsl
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+
inchikey: CRDAMVZIKSXKFV-YFVJMOTDSA-N
in scheme: Conceptschema Chemische Stoffen
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

benzidine
type: ChemicalCompound
cas number: 56481-94-8
formula: C12H12N2
smiles: C1=CC(=CC=C1C2=CC=C(C=C2)N)N
cas number: 92-87-5
inchikey: HFACYLZERDEVSX-UHFFFAOYSA-N
cas number: 46310-07-0
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
type: ChemicalSubstance
broader: CHEMONTID_0003955
iupac name: 4-(4-aminophenyl)aniline @en
pubchem: 7111
notation: benzdne

difloxacine
in scheme: Conceptschema Chemische Stoffen
iupac name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid @en
type: ChemicalSubstance
type: Concept
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)
broader: CHEMONTID_0002348
pubchem: 56206
type: ChemicalCompound
inchikey: NOCJXYPHIIZEHN-UHFFFAOYSA-N
cas number: 98106-17-3
formula: C21H19F2N3O3

chlooroxuron
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)
type: Concept
iupac name: 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea @en
pubchem: 16115
type: ChemicalSubstance
notation: Cloxrn
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004155
type: ChemicalCompound
inchikey: IVUXTESCPZUGJC-UHFFFAOYSA-N
cas number: 1982-47-4
formula: C15H15ClN2O2

bisfenol A diglycidylether
type: ChemicalCompound
cas number: 116161-20-7
in scheme: Conceptschema Chemische Stoffen
cas number: 170962-54-6
alternative label: bisfenol a diglycidylether
cas number: 500008-19-5
pubchem: 2286
inchikey: LCFVJGUPQDGYKZ-UHFFFAOYSA-N
notation: bisFolADgcdE
type: Concept
broader: CHEMONTID_0000369
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
cas number: 47424-12-4
iupac name: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane @en
cas number: 1675-54-3
formula: C21H24O4
cas number: 85101-00-4
type: ChemicalSubstance

1,3,5-triazine-2,4,6-triamine
type: ChemicalSubstance
smiles: C1(=NC(=NC(=N1)N)N)N
inchikey: JDSHMPZPIAZGSV-UHFFFAOYSA-N
type: Concept
cas number: 94977-27-2
broader: CHEMONTID_0004105
iupac name: 1,3,5-Triazine-2,4,6-triamine @en
in scheme: Conceptschema Chemische Stoffen
cas number: 68379-55-5
inchi: InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
formula: C3H6N6
cas number: 67757-43-1
pubchem: 7955
cas number: 130392-03-9
cas number: 70371-19-6
cas number: 169314-62-9
notation: 135Tazn246TA
cas number: 504-18-7
alternative label: 1,3,5-Triazine-2,4,6-triamine (Melamine)
type: ChemicalCompound
cas number: 65544-34-5
cas number: 108-78-1

2-chloor-4,6-diamino-1,3,5-triazine
iupac name: 6-Chloro-1,3,5-triazine-2,4-diamine @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 18831
inchikey: FVFVNNKYKYZTJU-UHFFFAOYSA-N
inchi: InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
notation: 2Cl46Daotazn
type: ChemicalCompound
cas number: 3397-62-4
formula: C3H4ClN5
smiles: C1(=NC(=NC(=N1)Cl)N)N
broader: CHEMONTID_0004721
type: Concept
type: ChemicalSubstance

3,5-dimethylfenol
type: ChemicalSubstance
cas number: 108-68-9
notation: 35DC1yFol
iupac name: 3,5-Dimethylphenol @en
cas number: 50356-23-5
inchi: InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
type: ChemicalCompound
smiles: CC1=CC(=CC(=C1)O)C
pubchem: 7948
broader: CHEMONTID_0001273
type: Concept
formula: C8H10O
in scheme: Conceptschema Chemische Stoffen
inchikey: TUAMRELNJMMDMT-UHFFFAOYSA-N

bromoxynil butyraat
pubchem: 62526
smiles: CCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br
type: ChemicalCompound
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
type: ChemicalSubstance
formula: C11H9Br2NO2
cas number: 3861-41-4
iupac name: (2,6-dibromo-4-cyanophenyl) butanoate @en
notation: bromxnbtrt
broader: CHEMONTID_0002319
type: Concept
inchikey: PGMZYNZXIYOOHJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

dimethylamine-hydrochloride
pubchem: 10473
cas number: 506-59-2
type: ChemicalCompound
broader: CHEMONTID_0002228
iupac name: ['N-Methylmethanamine hydrochloride', 'hydron; N-methylmethanamine; chloride'] @en
smiles: CNC.Cl
type: ChemicalSubstance
notation: DC1yAeHCl
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C2H8ClN
inchi: InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H
inchikey: IQDGSYLLQPDQDV-UHFFFAOYSA-N

2-pentanon
cas number: 107-87-9
formula: C5H10O
inchi: InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
smiles: CCCC(=O)C
cas number: 27154-67-2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: XNLICIUVMPYHGG-UHFFFAOYSA-N
broader: CHEMONTID_0000118
pubchem: 7895
type: ChemicalSubstance
iupac name: Pentan-2-one @en
notation: 2C5on
type: Concept

triacetonamine
pubchem: 94452
type: Concept
inchikey: ZXNWYMNKYXUZGM-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance
notation: TactnAe
iupac name: 2,2,6,6-Tetramethylpiperidin-4-one hydrochloride @en
broader: CHEMONTID_0001581
cas number: 33973-59-0
smiles: CC1(CC(=O)CC(N1)(C)C)C.Cl
inchi: InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H
in scheme: Conceptschema Chemische Stoffen
formula: C9H18ClNO
cas number: 826-36-8

dibenz(a,h)acridine
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
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: JNCSIWAONQTVCF-UHFFFAOYSA-N
notation: Dbenzahacdne
pubchem: 9183
cas number: 226-36-8
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
broader: CHEMONTID_0003017
formula: C21H13N
type: ChemicalSubstance

lysergide
cas number: 50-37-3
notation: LSD
formula: C20H25N3O
inchikey: VAYOSLLFUXYJDT-RDTXWAMCSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002680
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
type: ChemicalSubstance
type: Concept
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
type: ChemicalCompound

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

4-aminoazobenzeen
iupac name: 4-phenyldiazenylaniline @en
cas number: 60-09-3
smiles: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N
pubchem: 6051
cas number: 81691-68-1
type: ChemicalSubstance
broader: CHEMONTID_0003370
inchi: InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2
type: ChemicalCompound
notation: 4AoazBen
cas number: 25548-34-9
type: Concept
formula: C12H11N3
inchikey: QPQKUYVSJWQSDY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

tolfenpyrad
notation: tolfprd
iupac name: 4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide @en
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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)
inchikey: WPALTCMYPARVNV-UHFFFAOYSA-N
pubchem: 10110536
type: ChemicalCompound
cas number: 129558-76-5
broader: CHEMONTID_0004155

4,4'-diaminodifenylmethaan
broader: CHEMONTID_0000369
pubchem: 7577
iupac name: 4-[(4-aminophenyl)methyl]aniline @en
cas number: 101-77-9
type: ChemicalCompound
notation: 44C1yeDAn
smiles: C1=CC(=CC=C1CC2=CC=C(C=C2)N)N
cas number: 28602-61-1
formula: C13H14N2
in scheme: Conceptschema Chemische Stoffen
cas number: 83712-44-1
alternative label: 4,4'-methyleendianiline
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
type: ChemicalSubstance
inchikey: YBRVSVVVWCFQMG-UHFFFAOYSA-N
type: Concept

2-benzylfenol
cas number: 534-83-8
iupac name: 2-(phenylmethyl)phenol @en
smiles: C1=CC=C(C=C1)CC2=CC=CC=C2O
type: Concept
pubchem: 24216
formula: C13H12O
cas number: 28994-41-4
type: ChemicalCompound
broader: CHEMONTID_0000369
inchi: InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
in scheme: Conceptschema Chemische Stoffen
cas number: 1322-51-6
inchikey: CDMGNVWZXRKJNS-UHFFFAOYSA-N
type: ChemicalSubstance

perfluor-3,5-dioxahexaanzuur
type: Concept
smiles: C(=O)(C(OC(OC(F)(F)F)(F)F)(F)F)O
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 138394354
iupac name: 2-[difluoro(trifluoromethoxy)methoxy]-2,2-difluoroacetic acid @en
type: ChemicalSubstance
inchi: InChI=1S/C4HF7O4/c5-2(6,1(12)13)14-4(10,11)15-3(7,8)9/h(H,12,13)
broader: CHEMONTID_0003000
inchikey: GCSHTDCBGCURHU-UHFFFAOYSA-N
notation: PFO2HxA
cas number: 39492-88-1
formula: C4HF7O4

methylacetaat
notation: C1yactt
type: ChemicalCompound
type: Concept
iupac name: METHYL ACETATE @en
formula: C3H6O2
pubchem: 6584
broader: CHEMONTID_0003416
is referenced by: LUC IV 004
comment: VLAR II bijl. 4.4.2
type: ChemicalSubstance
cas number: 79-20-9
inchikey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
smiles: CC(=O)OC
is referenced by: LUC IV 000
inchi: InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
in scheme: Conceptschema Chemische Stoffen

dapson
smiles: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
pubchem: 2955
iupac name: 4-(4-aminophenyl)sulfonylaniline @en
formula: C12H12N2O2S
type: ChemicalSubstance
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
alternative label: dapsone
cas number: 80-08-0
notation: dapsn
inchikey: MQJKPEGWNLWLTK-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0004233
in scheme: Conceptschema Chemische Stoffen
type: Concept

magnesium
iupac name: magnesium(+2) cation @en
is referenced by: WAC III A 009
type: Concept
notation: Mg
inchi: InChI=1S/Mg/q+2
broader: CHEMONTID_0000428
inchikey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
cas number: 22537-22-0
alternative label: magnesium, tweewaardig
cas number: 7439-95-4
pubchem: 888
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: [Mg+2]
type: ChemicalCompound
formula: Mg+2

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

4-chloorbifenyl
cas number: 2051-62-9
iupac name: 1-chloro-4-phenylbenzene @en
broader: CHEMONTID_0000500
pubchem: 16323
smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
type: Concept
notation: PCB3
formula: C12H9Cl
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
type: ChemicalSubstance
inchikey: FPWNLURCHDRMHC-UHFFFAOYSA-N
type: ChemicalCompound

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

methanol
cas number: 67-56-1
broader: CHEMONTID_0000286
type: Concept
smiles: CO
inchikey: OKKJLVBELUTLKV-UHFFFAOYSA-N
cas number: 54841-71-3
inchi: InChI=1S/CH4O/c1-2/h2H,1H3
formula: CH4O
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: C1ol
pubchem: 887
type: ChemicalSubstance
iupac name: methanol @en

haloxyfop-methyl
iupac name: methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate @en
in scheme: Conceptschema Chemische Stoffen
inchikey: MFSWTRQUCLNFOM-UHFFFAOYSA-N
cas number: 86510-80-7
notation: halOxfC1y
cas number: 114180-25-5
broader: CHEMONTID_0004677
type: ChemicalSubstance
cas number: 69806-40-2
pubchem: 50896
type: Concept
type: ChemicalCompound
formula: C16H13ClF3NO4

2,2',3,3',4,4',5,5',6,6'-decabroombifenyl
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenyl)benzene @en
pubchem: 26164
broader: CHEMONTID_0003954
inchikey: AQPHBYQUCKHJLT-UHFFFAOYSA-N
cas number: 13654-09-6
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
cas number: 39282-95-6
formula: C12Br10
type: ChemicalCompound
notation: PBB209

citalopram
pubchem: 2771
type: ChemicalSubstance
iupac name: 1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile @en
type: ChemicalCompound
notation: citlpm
broader: CHEMONTID_0000014
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
in scheme: Conceptschema Chemische Stoffen
inchikey: WSEQXVZVJXJVFP-UHFFFAOYSA-N
type: Concept
cas number: 59729-33-8
smiles: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
formula: C20H21FN2O

mecoprop
cas number: 93-65-2
formula: C10H11ClO3
iupac name: 2-(4-Chloro-2-methylphenoxy)propanoic acid @en
type: Concept
smiles: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O
pubchem: 7153
type: ChemicalSubstance
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)
cas number: 7085-19-0
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
notation: MCPP
alternative label: mecoprop (mcpp)
inchikey: WNTGYJSOUMFZEP-UHFFFAOYSA-N
broader: CHEMONTID_0004676

danofloxacin
inchikey: QMLVECGLEOSESV-RYUDHWBXSA-N
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
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
alternative label: danofloxacine
broader: CHEMONTID_0002552
notation: danfxcn
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 112398-08-0
type: ChemicalSubstance
pubchem: 71335
type: ChemicalCompound
formula: C19H20FN3O3

lactose
cas number: 13360-52-6
inchikey: GUBGYTABKSRVRQ-UHFFFAOYSA-N
cas number: 63-42-3
type: ChemicalCompound
broader: CHEMONTID_0002207
cas number: 69-79-4
type: ChemicalSubstance
iupac name: 2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol @en
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
formula: C12H22O11
type: Concept
notation: lactse
in scheme: Conceptschema Chemische Stoffen
cas number: 16462-44-5
pubchem: 294
cas number: 528-50-7

repaglinide
type: Concept
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
notation: repgnde
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C27H36N2O4
cas number: 135062-02-1
iupac name: 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid @en
pubchem: 65981
broader: CHEMONTID_0000303
inchikey: FAEKWTJYAYMJKF-QHCPKHFHSA-N

dipropylftalaat
smiles: CCCOC(=O)C1=CC=CC=C1C(=O)OCCC
formula: C14H18O4
cas number: 131-16-8
broader: CHEMONTID_0001350
iupac name: dipropyl benzene-1,2-dicarboxylate @en
pubchem: 8559
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
notation: DC3yFt
inchikey: MQHNKCZKNAJROC-UHFFFAOYSA-N
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
type: ChemicalCompound

pyrethrin I
cas number: 121-21-1
notation: pyrtnI
formula: C21H28O3
broader: CHEMONTID_0001724
inchikey: ROVGZAWFACYCSP-VUMXUWRFSA-N
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
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 5281045
alternative label: pyrethrin i
in scheme: Conceptschema Chemische Stoffen

bezafibraat
type: ChemicalCompound
cas number: 41859-67-0
broader: CHEMONTID_0000417
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
formula: C19H20ClNO4
type: Concept
notation: bezafbt
type: ChemicalSubstance
pubchem: 39042
in scheme: Conceptschema Chemische Stoffen
inchikey: IIBYAHWJQTYFKB-UHFFFAOYSA-N

2,2',3,3',4,4',5,6'-octachloorbifenyl
formula: C12H2Cl8
pubchem: 39253
iupac name: 1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenyl)benzene @en
broader: CHEMONTID_0003030
cas number: 42740-50-1
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
inchikey: BQFCCUSDZLKBJG-UHFFFAOYSA-N
notation: PCB196
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen

rimsulfuron
formula: C14H17N5O7S2
type: ChemicalSubstance
broader: CHEMONTID_0001861
iupac name: 3-(4,6-dimethoxypyrimidin-2-yl)-1-(3-ethylsulfonylpyridin-2-yl)sulfonylurea @en
cas number: 122931-48-0
pubchem: 91779
in scheme: Conceptschema Chemische Stoffen
notation: rimsfrn
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)
type: Concept
inchikey: MEFOUWRMVYJCQC-UHFFFAOYSA-N
type: ChemicalCompound

uranium 231
notation: U231
smiles: [U]
pubchem: 177622
iupac name: uranium-231 @en
in scheme: Conceptschema Chemische Stoffen
formula: U
inchikey: JFALSRSLKYAFGM-NOHWODKXSA-N
cas number: 15700-08-0
type: ChemicalCompound
broader: CHEMONTID_0000430
type: ChemicalSubstance
inchi: InChI=1S/U/i1-7
type: Concept

fosmet-oxon
inchikey: BEMXOWRVWRNPPL-UHFFFAOYSA-N
pubchem: 77323
formula: C11H12NO5PS
notation: fosmOon
broader: CHEMONTID_0004749
cas number: 3735-33-9
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
type: ChemicalSubstance
type: ChemicalCompound
smiles: COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O

N-cyclohexylacetamide
alternative label: n-cyclohexylacetamide
iupac name: N-Cyclohexylacetamide @en
notation: NccC6yacAd
inchi: InChI=1S/C8H15NO/c1-7(10)9-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,9,10)
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003922
smiles: CC(=O)NC1CCCCC1
cas number: 1124-53-4
formula: C8H15NO
type: Concept
pubchem: 14301
inchikey: WRAGCBBWIYQMRF-UHFFFAOYSA-N
type: ChemicalSubstance

2,4-dichloortolueen
in scheme: Conceptschema Chemische Stoffen
pubchem: 7254
iupac name: 2,4-Dichloro-1-methylbenzene @en
broader: CHEMONTID_0002564
formula: C7H6Cl2
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
inchikey: FUNUTBJJKQIVSY-UHFFFAOYSA-N
notation: 24DClTol
inchi: InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
smiles: CC1=C(C=C(C=C1)Cl)Cl
cas number: 95-73-8

dimethylamine dicamba
pubchem: 16811
type: Concept
cas number: 136365-67-8
formula: C10H13Cl2NO3
notation: DC1yAeDcba
type: ChemicalCompound
inchikey: JDRFUUBRGGDEIZ-UHFFFAOYSA-N
smiles: CNC.COC1=C(C=CC(=C1C(=O)O)Cl)Cl
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
broader: CHEMONTID_0002345
cas number: 2300-66-5
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

nafthionaat natriumzout
inchikey: JWSRMCCRAJUMLX-UHFFFAOYSA-M
broader: CHEMONTID_0003600
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
notation: naftontNa
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
smiles: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.[Na+]
cas number: 14047-61-1
cas number: 130-13-2
iupac name: sodium 4-aminonaphthalene-1-sulfonate @en
type: Concept
pubchem: 8529
type: ChemicalCompound
formula: C10H8NNaO3S

aspartaam
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)
type: ChemicalSubstance
cas number: 7421-84-3
iupac name: 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid @en
smiles: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
pubchem: 2242
cas number: 22839-47-0
type: ChemicalCompound
notation: asptm
in scheme: Conceptschema Chemische Stoffen
inchikey: IAOZJIPTCAWIRG-UHFFFAOYSA-N
cas number: 53906-69-7
broader: CHEMONTID_0000348
type: Concept

3-methyl-5-fenyl-1h-pyrazol
smiles: CC1=CC(=NN1)C2=CC=CC=C2
broader: CHEMONTID_0002019
inchi: InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
type: ChemicalCompound
alternative label: 3-methyl-5-fenyl-1H-pyrazol
cas number: 3347-62-4
formula: C10H10N2
iupac name: 3-methyl-5-phenyl-2H-pyrazole @en
pubchem: 18774
notation: 3C1y5Fy1Hprz
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: QHRSESMSOJZMCO-UHFFFAOYSA-N

diclobutrazool
cas number: 75432-64-3
inchikey: URDNHJIVMYZFRT-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 66345-62-8
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol @en
cas number: 75736-33-3
type: Concept
type: ChemicalSubstance
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
cas number: 83940-00-5
pubchem: 53309
notation: Dcbtzl
broader: CHEMONTID_0000188

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

E-nitenpyram
inchikey: CFRPSFYHXJZSBI-DHZHZOJOSA-N
cas number: 150824-47-8
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+
notation: E-nitprm
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
broader: CHEMONTID_0004532
type: ChemicalCompound
smiles: CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC
formula: C11H15ClN4O2
in scheme: Conceptschema Chemische Stoffen
type: Concept
alternative label: e-nitenpyram
type: ChemicalSubstance
pubchem: 3034287

1-broom-3-chloorpropaan
type: Concept
cas number: 109-70-6
in scheme: Conceptschema Chemische Stoffen
formula: C3H6BrCl
inchikey: MFESCIUQSIBMSM-UHFFFAOYSA-N
smiles: C(CCl)CBr
type: ChemicalCompound
iupac name: 1-Bromo-3-chloropropane @en
type: ChemicalSubstance
broader: CHEMONTID_0001516
notation: 1Br3ClC3a
pubchem: 8006
inchi: InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2

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

nitriet
is referenced by: CMA 2 IV 4
is referenced by: WAC III C 002
type: Concept
smiles: N(=O)[O-]
cas number: 14797-65-0
inchikey: IOVCWXUNBOPUCH-UHFFFAOYSA-M
inchi: InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: NO2
broader: CHEMONTID_0001061
cas number: 12183-96-9
type: ChemicalCompound
iupac name: NITRITE @en
formula: NO2-
pubchem: 946
cas number: 114466-53-4

2-methylpyridine
inchi: InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
iupac name: 2-Methylpyridine @en
cas number: 82005-07-0
type: Concept
formula: C6H7N
cas number: 109-06-8
broader: CHEMONTID_0004152
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: CC1=CC=CC=N1
pubchem: 7975
cas number: 45505-34-8
inchikey: BSKHPKMHTQYZBB-UHFFFAOYSA-N
cas number: 52962-96-6
type: ChemicalSubstance
notation: 2C1yprdne

2,2',3,5'-tetrachloorbifenyl
type: ChemicalSubstance
pubchem: 38875
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0003030
notation: PCB44
in scheme: Conceptschema Chemische Stoffen
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
inchikey: ALDJIKXAHSDLLB-UHFFFAOYSA-N
formula: C12H6Cl4
cas number: 41464-39-5
cas number: 70362-46-8

C.I. Acid Red 52
type: ChemicalSubstance
cas number: 12777-86-5
cas number: 2609-88-3
cas number: 184827-20-1
notation: ciard52
in scheme: Conceptschema Chemische Stoffen
cas number: 104298-69-3
cas number: 204996-41-8
formula: C29H33N2NaO7S2
cas number: 74871-35-5
cas number: 39470-83-2
pubchem: 62500
cas number: 61261-16-3
alternative label: c.i. acid red 52
cas number: 3520-42-1
cas number: 192230-72-1
broader: CHEMONTID_0000200
type: ChemicalCompound
inchikey: XJENLUNLXRJLEZ-UHFFFAOYSA-M
type: Concept
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
cas number: 103947-10-0

boterzuur
in scheme: Conceptschema Chemische Stoffen
iupac name: butanoic acid @en
type: Concept
inchi: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
pubchem: 264
notation: botzr
broader: CHEMONTID_0000333
type: ChemicalCompound
type: ChemicalSubstance
inchikey: FERIUCNNQQJTOY-UHFFFAOYSA-N
formula: C4H8O2
smiles: CCCC(=O)O
cas number: 107-92-6

zuurstof
iupac name: Molecular oxygen @en
smiles: O=O
cas number: 7782-44-7
alternative label: Zuurstof (O2)
notation: O2
type: ChemicalSubstance
pubchem: 977
inchi: InChI=1S/O2/c1-2
is referenced by: LUC II 001
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 80217-98-7
cas number: 58238-79-2
cas number: 1338-93-8
type: Concept
cas number: 80937-33-3
cas number: 12185-07-8
broader: CHEMONTID_0000554
inchikey: MYMOFIZGZYHOMD-UHFFFAOYSA-N
formula: O2
cas number: 14797-70-7

isoprothiolan
cas number: 50512-35-1
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
type: ChemicalSubstance
smiles: CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C
pubchem: 39681
notation: iptoln
in scheme: Conceptschema Chemische Stoffen
inchikey: UFHLMYOGRXOCSL-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0000346
formula: C12H18O4S2

theobromine
notation: theobmne
in scheme: Conceptschema Chemische Stoffen
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)
cas number: 83-67-0
smiles: CN1C=NC2=C1C(=O)NC(=O)N2C
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000247
type: ChemicalSubstance
formula: C7H8N4O2
pubchem: 5429
inchikey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
iupac name: 3,7-dimethylpurine-2,6-dione @en

1,3,5-triisopropylbenzeen
smiles: CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C
notation: 135TiC3yBen
pubchem: 12860
inchikey: VUMCUSHVMYIRMB-UHFFFAOYSA-N
formula: C15H24
cas number: 717-74-8
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 1,3,5-tri(propan-2-yl)benzene @en
type: ChemicalSubstance
broader: CHEMONTID_0000355
inchi: InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
type: Concept
cas number: 27322-34-5

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

tebufenpyrad
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0002811
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C18H24ClN3O
iupac name: N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide @en
inchikey: ZZYSLNWGKKDOML-UHFFFAOYSA-N
pubchem: 86354
notation: tebfprd
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)
cas number: 119168-77-3

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

2,6,10,14-tetramethylpentadecaan
pubchem: 15979
notation: 261014T4C1yC
iupac name: 2,6,10,14-Tetramethylpentadecane @en
inchikey: XOJVVFBFDXDTEG-UHFFFAOYSA-N
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
type: ChemicalCompound
cas number: 1921-70-6
broader: CHEMONTID_0001357
type: Concept
type: ChemicalSubstance
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)C
formula: C19H40
in scheme: Conceptschema Chemische Stoffen

cashmeran
notation: DPMI
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
type: Concept
formula: C14H22O
smiles: CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
type: ChemicalSubstance
cas number: 155667-06-4
cas number: 33704-61-9
pubchem: 92292
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004325
inchikey: MIZGSAALSYARKU-UHFFFAOYSA-N

thiabendazole
notation: tabdzl
formula: C10H7N3S
in scheme: Conceptschema Chemische Stoffen
cas number: 145316-67-2
type: ChemicalSubstance
inchikey: WJCNZQLZVWNLKY-UHFFFAOYSA-N
cas number: 94977-06-7
cas number: 8028-27-1
iupac name: 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE @en
cas number: 98002-42-7
cas number: 123242-33-1
smiles: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
cas number: 8018-04-0
cas number: 148-79-8
pubchem: 5430
broader: CHEMONTID_0000294
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)
cas number: 8027-10-9
type: Concept
type: ChemicalCompound
alternative label: thiabendazol

octadecylacetaat
formula: C20H40O2
inchikey: OIZXRZCQJDXPFO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0001722
notation: C18yactt
type: Concept
pubchem: 69968
cas number: 72269-30-8
smiles: CCCCCCCCCCCCCCCCCCOC(=O)C
type: ChemicalCompound
cas number: 822-23-1
iupac name: Octadecyl acetate @en
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

trans-10,11-dihydroxy-10,11-dihydrocarbazepine
pubchem: 114725
formula: C15H14N2O3
inchikey: PRGQOPPDPVELEG-KBPBESRZSA-N
iupac name: (5S,6S)-5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide @en
cas number: 58955-93-4
broader: CHEMONTID_0000320
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
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
notation: t1011DHOx101
type: ChemicalCompound

2-ethylidene-1,5-dimethyl-3,3-difenylpyrrolidine
notation: 2C2yid15DC1y
inchikey: AJRJPORIQGYFMT-PVOVUMCXSA-N
iupac name: (2Z)-2-ethylidene-1,5-dimethyl-3,3-di(phenyl)pyrrolidine @en
type: ChemicalCompound
formula: C20H23N
type: ChemicalSubstance
cas number: 57195-65-0
cas number: 30223-73-5
type: Concept
broader: CHEMONTID_0000369
in scheme: Conceptschema Chemische Stoffen
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-
pubchem: 5378015

heneicosaan
inchikey: FNAZRRHPUDJQCJ-UHFFFAOYSA-N
pubchem: 12403
broader: CHEMONTID_0002500
type: ChemicalCompound
notation: C21a
formula: C21H44
type: ChemicalSubstance
type: Concept
cas number: 629-94-7
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCCCCC
iupac name: Henicosane @en

1,4-diacetylbenzeen
cas number: 1009-61-6
iupac name: 1-(4-acetylphenyl)ethanone @en
broader: CHEMONTID_0004298
inchi: InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchikey: SKBBQSLSGRSQAJ-UHFFFAOYSA-N
formula: C10H10O2
smiles: CC(=O)C1=CC=C(C=C1)C(=O)C
type: ChemicalCompound
notation: 14DactBen
pubchem: 13888

telmisartan
formula: C33H30N4O2
pubchem: 65999
notation: telmstn
cas number: 144701-48-4
broader: CHEMONTID_0000041
type: ChemicalSubstance
inchikey: RMMXLENWKUUMAY-UHFFFAOYSA-N
iupac name: 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid @en
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)
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen

diazomethaan
broader: CHEMONTID_0003688
inchikey: YXHKONLOYHBTNS-UHFFFAOYSA-N
type: ChemicalSubstance
formula: CH2N2
cas number: 334-88-3
notation: DazC1a
iupac name: DIAZOMETHANE @en
smiles: C=[N+]=[N-]
type: ChemicalCompound
inchi: InChI=1S/CH2N2/c1-3-2/h1H2
in scheme: Conceptschema Chemische Stoffen
pubchem: 9550
type: Concept

di-ethyleentriaminepentaazijnzuur (dtpa)
cas number: 6889-50-5
pubchem: 3053
type: Concept
alternative label: di-ethyleentriaminepentaazijnzuur (DTPA)
cas number: 7575-40-8
alternative label: diethyleentriaminepenta-azijnzuur
cas number: 67-43-6
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)
inchikey: QPCDCPDFJACHGM-UHFFFAOYSA-N
cas number: 25737-54-6
notation: DTPA
cas number: 49758-21-6
type: ChemicalSubstance
cas number: 13407-13-1
broader: CHEMONTID_0002995
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 84932-15-0
formula: C14H23N3O10
iupac name: 2-[bis[2-(bis(carboxymethyl)amino)ethyl]amino]acetic acid @en

quetiapine
type: ChemicalCompound
cas number: 111974-69-7
broader: CHEMONTID_0000055
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
notation: quetpne
inchikey: URKOMYMAXPYINW-UHFFFAOYSA-N
formula: C21H25N3O2S
pubchem: 5002
type: ChemicalSubstance
iupac name: 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol @en

methoxyethylkwikchloride
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C3H7ClHgO
type: Concept
broader: CHEMONTID_0001167
iupac name: 2-Methoxyethylmercury chloride @en
smiles: COCC[Hg+].[Cl-]
pubchem: 31273
inchikey: VJTAZCKMHINUKO-UHFFFAOYSA-M
type: ChemicalSubstance
cas number: 123-88-6
notation: C1oxC2yHgCl
inchi: InChI=1S/C3H7O.ClH.Hg/c1-3-4-2;;/h1,3H2,2H3;1H;/q;;+1/p-1

2,6-dichloor-3-methylaniline
type: ChemicalCompound
smiles: CC1=C(C(=C(C=C1)Cl)N)Cl
inchi: InChI=1S/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3
notation: 26DCl3C1yAn
type: ChemicalSubstance
broader: CHEMONTID_0002564
iupac name: 2,6-Dichloro-3-methylaniline @en
inchikey: AYVZXDFCFQSWJD-UHFFFAOYSA-N
pubchem: 116529
type: Concept
formula: C7H7Cl2N
in scheme: Conceptschema Chemische Stoffen
cas number: 64063-37-2

butanal
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
formula: C4H8O
broader: CHEMONTID_0002434
inchi: InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
iupac name: BUTANAL @en
type: Concept
notation: C4al
alternative label: butyraldehyde
smiles: CCCC=O
cas number: 123-72-8
inchikey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 261

bisfenol-A
in scheme: Conceptschema Chemische Stoffen
inchikey: IISBACLAFKSPIT-UHFFFAOYSA-N
formula: C15H16O2
cas number: 80-05-7
pubchem: 6623
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
cas number: 28106-82-3
cas number: 27100-33-0
alternative label: bisfenol a
iupac name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol @en
cas number: 137885-53-1
broader: CHEMONTID_0000143
smiles: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
type: ChemicalSubstance
alternative label: bisfenol-a
notation: bisFolA
type: Concept
cas number: 27360-89-0
cas number: 37808-08-5
type: ChemicalCompound

2,6-di-tert-butylfenol
pubchem: 31405
broader: CHEMONTID_0002811
inchikey: DKCPKDPYUFEZCP-UHFFFAOYSA-N
smiles: CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,6-ditert-butylphenol @en
type: ChemicalCompound
formula: C14H22O
notation: 26DttC4yFol
cas number: 50356-17-7
cas number: 128-39-2
type: Concept
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
type: ChemicalSubstance

2,3,6-trichlooraniline
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
cas number: 88963-39-7
pubchem: 184908
type: ChemicalCompound
broader: CHEMONTID_0000284
type: Concept
type: ChemicalSubstance
formula: C6H4Cl3N
inchikey: ZJMMPUVJZQBMEM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
notation: 236TClAn
smiles: C1=CC(=C(C(=C1Cl)N)Cl)Cl

broomoxynil
alternative label: bromoxynil
cas number: 1689-84-5
inchi: InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
broader: CHEMONTID_0001530
iupac name: 3,5-Dibromo-4-hydroxybenzonitrile @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
notation: BrOxnl
formula: C7H3Br2NO
inchikey: UPMXNNIRAGDFEH-UHFFFAOYSA-N
smiles: C1=C(C=C(C(=C1Br)O)Br)C#N
type: ChemicalCompound
type: Concept
pubchem: 15531

empenthrin
broader: CHEMONTID_0001563
type: ChemicalCompound
cas number: 98311-74-1
notation: emptn
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+
in scheme: Conceptschema Chemische Stoffen
cas number: 54406-48-3
cas number: 96895-17-9
inchikey: YUGWDVYLFSETPE-JLHYYAGUSA-N
pubchem: 6434488
smiles: CCC=C(C)C(C#C)OC(=O)C1C(C1(C)C)C=C(C)C
cas number: 92836-82-3
type: ChemicalSubstance
iupac name: [(E)-4-methylhept-4-en-1-yn-3-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate @en
type: Concept

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

tetramethyl-1,4-benzeendiamine
type: ChemicalSubstance
cas number: 27215-51-6
type: Concept
broader: CHEMONTID_0003901
inchi: InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3
smiles: CN(C)C1=CC=C(C=C1)N(C)C
cas number: 100-22-1
inchikey: CJAOGUFAAWZWNI-UHFFFAOYSA-N
type: ChemicalCompound
notation: TMPD
in scheme: Conceptschema Chemische Stoffen
pubchem: 7490
iupac name: N,N,N',N'-tetramethylbenzene-1,4-diamine @en
formula: C10H16N2

bis(2-chloorisopropyl)ether
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001516
notation: bis2CliC3yEt
smiles: CC(C)(OC(C)(C)Cl)Cl
cas number: 39638-32-9
type: Concept
inchi: InChI=1S/C6H12Cl2O/c1-5(2,7)9-6(3,4)8/h1-4H3
inchikey: BULHJTXRZFEUDQ-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: 2-chloro-2-(2-chloropropan-2-yloxy)propane @en
formula: C6H12Cl2O
pubchem: 38307

distikstof
type: ChemicalSubstance
inchi: InChI=1S/N2/c1-2
cas number: 7727-37-9
type: ChemicalCompound
smiles: N#N
iupac name: molecular nitrogen @en
inchikey: IJGRMHOSHXDMSA-UHFFFAOYSA-N
cas number: 161728-27-4
cas number: 93037-13-9
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 156457-45-3
formula: N2
broader: CHEMONTID_0000553
pubchem: 947
notation: N2

monooctyltin (kation)
cas number: 94410-07-8
notation: MC8ySn
broader: CHEMONTID_0001523
iupac name: octyltin @en
type: ChemicalSubstance
formula: C8H17Sn+3
inchikey: GYKSIQWGEZQNEA-UHFFFAOYSA-N
type: ChemicalCompound
inchi: InChI=1S/C8H17.Sn/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;/q;+3
pubchem: 185342
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCC[Sn+3]
type: Concept

trifenyltinchloride
formula: 0
in scheme: Conceptschema Chemische Stoffen
iupac name: chloro-tri(phenyl)stannane @en
smiles: 0
type: Concept
inchikey: NRNWARROUIEBPJ-UHFFFAOYSA-N
type: ChemicalSubstance
inchi: InChI=1S/3C6H5.Cl.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;;
type: ChemicalCompound
cas number: 639-58-7

amfetamine
cas number: 300-62-9
notation: amfAe
inchikey: KWTSXDURSIMDCE-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
type: Concept
iupac name: 1-phenylpropan-2-amine @en
type: ChemicalSubstance
broader: CHEMONTID_0000188
pubchem: 3007
formula: C9H13N
smiles: CC(CC1=CC=CC=C1)N

(e)-3-penteen-2-on
broader: CHEMONTID_0001363
formula: C5H8O
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 637920
iupac name: ['pent-3-en-2-one', '(E)-pent-3-en-2-one'] @en
inchi: InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
cas number: 3102-33-8
inchikey: LABTWGUMFABVFG-ONEGZZNKSA-N
smiles: CC=CC(=O)C
alternative label: (E)-3-penteen-2-on
notation: E-3C5e2on
type: Concept

mepanipyrim
smiles: CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2
type: ChemicalCompound
cas number: 110235-47-7
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
notation: mepnprm
pubchem: 86296
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)
broader: CHEMONTID_0000284
iupac name: 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine @en
inchikey: CIFWZNRJIBNXRE-UHFFFAOYSA-N
formula: C14H13N3

dialifos
pubchem: 25146
formula: C14H17ClNO4PS2
cas number: 10311-84-9
type: ChemicalCompound
inchikey: MUMQYXACQUZOFP-UHFFFAOYSA-N
notation: Dalfs
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0004749
type: Concept

3-chloorpropaannitril
in scheme: Conceptschema Chemische Stoffen
cas number: 542-76-7
smiles: C(CCl)C#N
iupac name: ['3-chloroprop-2-ynenitrile', '3-Chloropropanenitrile'] @en
pubchem: 10963
type: Concept
notation: 3ClC3antl
broader: CHEMONTID_0000362
formula: C3H4ClN
type: ChemicalSubstance
inchi: InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2
cas number: 2003-31-8
inchikey: GNHMRTZZNHZDDM-UHFFFAOYSA-N
type: ChemicalCompound

5-acetyl-1,1,2,3,3,6-hexamethylindaan
cas number: 15323-35-0
type: ChemicalSubstance
formula: C17H24O
notation: AHMI
type: Concept
broader: CHEMONTID_0000027
type: ChemicalCompound
inchikey: VDBHOHJWUDKDRW-UHFFFAOYSA-N
cas number: 55599-08-1
iupac name: 1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone @en
pubchem: 47167
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
in scheme: Conceptschema Chemische Stoffen
cas number: 64058-43-1

gamma-ergostenol
type: ChemicalSubstance
broader: CHEMONTID_0001403
type: Concept
pubchem: 86509
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
notation: gergsnl
cas number: 516-78-9
in scheme: Conceptschema Chemische Stoffen
formula: C28H48O
type: ChemicalCompound
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
cas number: 17105-75-8
inchikey: PUGBZUWUTZUUCP-UHFFFAOYSA-N

oxyfluorfen
type: ChemicalSubstance
formula: C15H11ClF3NO4
type: ChemicalCompound
notation: OxFfn
broader: CHEMONTID_0004155
inchikey: OQMBBFQZGJFLBU-UHFFFAOYSA-N
cas number: 42874-03-3
type: Concept
iupac name: 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethoxy-1-nitrobenzene @en
pubchem: 39327
in scheme: Conceptschema Chemische Stoffen

tebuconazol
pubchem: 86102
alternative label: tebuconazole
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
notation: tebcnzl
iupac name: 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol @en
broader: CHEMONTID_0000014
cas number: 80443-41-0
type: ChemicalCompound
formula: C16H22ClN3O
cas number: 107534-96-3
type: ChemicalSubstance
type: Concept
inchikey: PXMNMQRDXWABCY-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

ethosuximide
smiles: CCC1(CC(=O)NC1=O)C
broader: CHEMONTID_0003031
iupac name: 3-Ethyl-3-methylpyrrolidine-2,5-dione @en
pubchem: 3291
notation: etsimde
cas number: 77-67-8
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchi: InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)
type: ChemicalCompound
inchikey: HAPOVYFOVVWLRS-UHFFFAOYSA-N
formula: C7H11NO2

ceftazidime
type: Concept
inchikey: ORFOPKXBNMVMKC-DWVKKRMSSA-N
cas number: 72558-82-8
notation: ceftzdme
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000173
pubchem: 5481173
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
formula: C22H22N6O7S2
type: ChemicalCompound
type: ChemicalSubstance
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

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

sulfaat
formula: O4S-2
inchi: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
smiles: [O-]S(=O)(=O)[O-]
type: Concept
cas number: 14808-79-8
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 18785-72-3
broader: CHEMONTID_0001077
is referenced by: WAC V B 003
pubchem: 1117
type: ChemicalSubstance
inchikey: QAOWNCQODCNURD-UHFFFAOYSA-L
notation: SO4
iupac name: SULFATE @en

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

2-chloor-5-nitrotolueen
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
notation: 2Cl5NO2Tol
type: ChemicalSubstance
inchikey: BGDCQZFFNFXYQC-UHFFFAOYSA-N
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
cas number: 13290-74-9
formula: C7H6ClNO2
pubchem: 83315
broader: CHEMONTID_0000036
smiles: CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

butylbenzeensulfonaat
inchikey: NIKBCKTWWPVAIC-UHFFFAOYSA-N
pubchem: 6642
in scheme: Conceptschema Chemische Stoffen
notation: C4yBensfnt
type: Concept
formula: C10H14O3S
type: ChemicalSubstance
iupac name: Butyl benzenesulfonate @en
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
smiles: CCCCOS(=O)(=O)C1=CC=CC=C1
broader: CHEMONTID_0004309
type: ChemicalCompound
cas number: 80-44-4

4-n-octylfenol
iupac name: 4-OCTYLPHENOL @en
pubchem: 15730
inchikey: NTDQQZYCCIDJRK-UHFFFAOYSA-N
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
type: Concept
cas number: 1806-26-4
type: ChemicalSubstance
broader: CHEMONTID_0004646
cas number: 71902-25-5
type: ChemicalCompound
smiles: CCCCCCCCC1=CC=C(C=C1)O
in scheme: Conceptschema Chemische Stoffen
alternative label: octylfenol
notation: 4C8yFol

dibutylamine
in scheme: Conceptschema Chemische Stoffen
formula: C8H19N
type: ChemicalSubstance
broader: CHEMONTID_0002228
cas number: 111-92-2
inchi: InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3
notation: DC4yAe
smiles: CCCCNCCCC
inchikey: JQVDAXLFBXTEQA-UHFFFAOYSA-N
iupac name: N-butylbutan-1-amine @en
type: ChemicalCompound
cas number: 71230-78-9
type: Concept
pubchem: 8148

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

nonadecaan
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
notation: C19a
type: ChemicalSubstance
broader: CHEMONTID_0002500
iupac name: NONADECANE @en
formula: C19H40
type: Concept
cas number: 629-92-5
smiles: CCCCCCCCCCCCCCCCCCC
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 12401
inchikey: LQERIDTXQFOHKA-UHFFFAOYSA-N

tiapride
type: ChemicalCompound
type: Concept
pubchem: 39855
cas number: 51012-32-9
formula: C15H25ClN2O4S
in scheme: Conceptschema Chemische Stoffen
iupac name: diethyl-[2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]ethyl]azanium chloride @en
notation: tiapde
broader: CHEMONTID_0000178
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
inchikey: OTFDPNXIVHBTKW-UHFFFAOYSA-N
type: ChemicalSubstance

bis(2-ethylhexyl)adipaat
broader: CHEMONTID_0000324
pubchem: 7641
iupac name: Bis(2-ethylhexyl) hexanedioate @en
smiles: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 103-23-1
cas number: 39393-67-4
cas number: 63637-48-9
type: Concept
formula: C22H42O4
notation: BISADPT
type: ChemicalSubstance
cas number: 70147-21-6
inchikey: SAOKZLXYCUGLFA-UHFFFAOYSA-N
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

cis-1,2-dichlooretheen
type: Concept
alternative label: 1,2-dichlooretheen,cis
notation: c12DClC2e
type: ChemicalCompound
inchi: InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-
pubchem: 643833
type: ChemicalSubstance
formula: C2H2Cl2
inchikey: KFUSEUYYWQURPO-UPHRSURJSA-N
cas number: 156-59-2
is referenced by: LUC IV 011
broader: CHEMONTID_0002863
in scheme: Conceptschema Chemische Stoffen
smiles: C(=CCl)Cl
iupac name: (Z)-1,2-Dichloroethene @en

3-pentanol
iupac name: Pentan-3-ol @en
smiles: CCC(CC)O
notation: 3C5ol
pubchem: 11428
inchikey: AQIXEPGDORPWBJ-UHFFFAOYSA-N
formula: C5H12O
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001661
cas number: 584-02-1
type: Concept
inchi: InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

N-benzyl-N-methyl-1-phenylmethanamine
pubchem: 21583
notation: NbzNC1y1FyC1
in scheme: Conceptschema Chemische Stoffen
inchikey: WYZDCUGWXKHESN-UHFFFAOYSA-N
broader: CHEMONTID_0000185
type: ChemicalCompound
iupac name: N-methyl-1-phenyl-N-(phenylmethyl)methanamine @en
type: ChemicalSubstance
formula: C15H17N
cas number: 102-05-6
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
type: Concept
smiles: CN(CC1=CC=CC=C1)CC2=CC=CC=C2

diallaat
type: Concept
cas number: 17708-57-5
cas number: 2303-16-4
pubchem: 5284376
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
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl
type: ChemicalSubstance
formula: C10H17Cl2NOS
broader: CHEMONTID_0001368
type: ChemicalCompound
inchikey: SPANOECCGNXGNR-UITAMQMPSA-N
notation: Dalt
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-

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

jodium 131
notation: I131
pubchem: 24855
smiles: II
in scheme: Conceptschema Chemische Stoffen
inchikey: PNDPGZBMCMUPRI-HVTJNCQCSA-N
type: ChemicalSubstance
cas number: 10043-66-0
iupac name: Iodine-131 @en
broader: CHEMONTID_0000432
cas number: 24267-56-9
formula: I2
type: Concept
type: ChemicalCompound
inchi: InChI=1S/I2/c1-2/i1+4,2+4

2-naftylamine
cas number: 91-59-8
type: Concept
notation: 2AoNaf
type: ChemicalCompound
comment: VLAREM II bijlage 4.4.2
alternative label: 2-aminonaftaleen
pubchem: 7057
inchikey: JBIJLHTVPXGSAM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C10H9N
broader: CHEMONTID_0000023
iupac name: naphthalen-2-amine @en
type: ChemicalSubstance
inchi: InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2
smiles: C1=CC=C2C=C(C=CC2=C1)N

2-methylindeen
smiles: CC1=CC2=CC=CC=C2C1
cas number: 2177-47-1
type: ChemicalSubstance
type: ChemicalCompound
formula: C10H10
inchikey: YSAXEHWHSLANOM-UHFFFAOYSA-N
notation: 2C1idn
type: Concept
iupac name: 2-METHYL-1H-INDENE @en
broader: CHEMONTID_0000021
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3
pubchem: 16587

loperamide
broader: CHEMONTID_0000369
formula: C29H34Cl2N2O2
notation: lopAd
type: ChemicalSubstance
iupac name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-di(phenyl)butanamide hydrochloride @en
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
cas number: 34552-83-5
cas number: 53179-11-6
pubchem: 71420
type: ChemicalCompound
type: Concept
inchikey: PGYPOBZJRVSMDS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen

oxymetazoline
type: ChemicalCompound
cas number: 1491-59-4
notation: Oxmtzlne
inchikey: WYWIFABBXFUGLM-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 4636
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)
smiles: CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C16H24N2O
iupac name: 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol @en
broader: CHEMONTID_0004212

chloralose
formula: C8H11Cl3O6
smiles: C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O
in scheme: Conceptschema Chemische Stoffen
pubchem: 27525
notation: chlorlse
type: Concept
cas number: 15879-93-3
inchikey: OJYGBLRPYBAHRT-OPKHMCHVSA-N
type: ChemicalSubstance
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
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
type: ChemicalCompound
broader: CHEMONTID_0001540

2,3,4',6-tetrachloorbifenyl
type: ChemicalSubstance
smiles: C1=CC(=CC=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl
broader: CHEMONTID_0003030
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: FXRXQYZZALWWGA-UHFFFAOYSA-N
type: ChemicalCompound
cas number: 52663-58-8
pubchem: 63110
iupac name: 1,2,4-trichloro-3-(4-chlorophenyl)benzene @en
notation: PCB64
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

barium 133
smiles: [Ba]
type: ChemicalCompound
inchi: InChI=1S/Ba/i1-4
broader: CHEMONTID_0000428
formula: Ba
in scheme: Conceptschema Chemische Stoffen
notation: Ba133
inchikey: DSAJWYNOEDNPEQ-AHCXROLUSA-N
pubchem: 5491664
iupac name: barium-133 @en
type: Concept
type: ChemicalSubstance
cas number: 13981-41-4

n-nonaan
is referenced by: LUC IV 006
inchikey: BKIMMITUMNQMOS-UHFFFAOYSA-N
cas number: 61193-19-9
type: Concept
pubchem: 8141
broader: CHEMONTID_0002500
cas number: 111-84-2
formula: C9H20
is referenced by: LUC IV 000
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'
alternative label: nonaan
type: ChemicalSubstance
iupac name: Nonane @en
is referenced by: LUC IV 011
inchi: InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
smiles: CCCCCCCCC
notation: C9a
type: ChemicalCompound

fenobucarb
cas number: 3766-81-2
broader: CHEMONTID_0004640
type: ChemicalCompound
notation: fenbcb
formula: C12H17NO2
pubchem: 19588
cas number: 12773-35-2
in scheme: Conceptschema Chemische Stoffen
cas number: 145846-59-9
smiles: CCC(C)C1=CC=CC=C1OC(=O)NC
type: ChemicalSubstance
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
inchikey: DIRFUJHNVNOBMY-UHFFFAOYSA-N
type: Concept

indoxacarb (S-isomeer)
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
alternative label: indoxacarb (s-isomeer)
in scheme: Conceptschema Chemische Stoffen
pubchem: 107720
type: ChemicalSubstance
type: ChemicalCompound
type: Concept
cas number: 174060-41-4
notation: indxcb
broader: CHEMONTID_0004714
formula: C22H17ClF3N3O7
cas number: 173584-44-6
inchikey: VBCVPMMZEGZULK-NRFANRHFSA-N

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

medroxyprogesteron
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
inchikey: FRQMUZJSZHZSGN-HBNHAYAOSA-N
type: ChemicalSubstance
broader: CHEMONTID_0001468
type: Concept
cas number: 520-85-4
pubchem: 10631
formula: C22H32O3
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
notation: medxprgtrn

prednicarbaat
pubchem: 52421
inchikey: FNPXMHRZILFCKX-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
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
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
broader: CHEMONTID_0001468
cas number: 73771-04-7
notation: predncbt
formula: C27H36O8

tri-tert-butylmethanol
type: Concept
smiles: CC(C)(C)C(C(C)(C)C)(C(C)(C)C)O
type: ChemicalCompound
cas number: 41902-42-5
notation: TttC4yC1ol
iupac name: 3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol @en
formula: C13H28O
pubchem: 142558
inchikey: LIUBOLYWYDGCSJ-UHFFFAOYSA-N
inchi: InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3
broader: CHEMONTID_0001670
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

primidon
inchikey: DQMZLTXERSFNPB-UHFFFAOYSA-N
formula: C12H14N2O2
in scheme: Conceptschema Chemische Stoffen
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)
type: Concept
notation: primdn
type: ChemicalCompound
broader: CHEMONTID_0002202
iupac name: 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione @en
type: ChemicalSubstance
cas number: 125-33-7
pubchem: 4909
smiles: CCC1(C(=O)NCNC1=O)C2=CC=CC=C2

2,3,4,6,7-pentachloordibenzofuraan
in scheme: Conceptschema Chemische Stoffen
notation: PCDF112
cas number: 57117-42-7
pubchem: 42139
type: ChemicalCompound
inchikey: NZUPQBVDIWCPBX-UHFFFAOYSA-N
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
formula: C12H3Cl5O
broader: CHEMONTID_0003029
cas number: 57117-43-8
iupac name: 1,2,3,6,7-PENTACHLORODIBENZOFURAN @en
type: ChemicalSubstance
type: Concept

fenoxaprop-P-ethyl
alternative label: fenoxaprop-p-ethyl
type: Concept
formula: C18H16ClNO5
inchikey: PQKBPHSEKWERTG-LLVKDONJSA-N
iupac name: ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate @en
notation: fenxppPC2y
broader: CHEMONTID_0004677
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
pubchem: 91707
cas number: 71283-80-2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound

arachidezuur
iupac name: Icosanoic acid @en
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCCCC(=O)O
type: Concept
notation: arcdzr
cas number: 22302-43-8
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)
type: ChemicalCompound
inchikey: VKOBVWXKNCXXDE-UHFFFAOYSA-N
pubchem: 10467
cas number: 506-30-9
type: ChemicalSubstance
broader: CHEMONTID_0002949
formula: C20H40O2

lanthaan
type: ChemicalSubstance
iupac name: LANTHANUM @en
broader: CHEMONTID_0000429
cas number: 14762-71-1
type: ChemicalCompound
pubchem: 23926
in scheme: Conceptschema Chemische Stoffen
notation: La
formula: La
inchikey: FZLIPJUXYLNCLC-UHFFFAOYSA-N
cas number: 110123-48-3
smiles: [La]
cas number: 17643-88-8
type: Concept
inchi: InChI=1S/La
cas number: 7439-91-0

1-naftaleensulfonzuur
inchikey: PSZYNBSKGUBXEH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 6812
type: ChemicalCompound
smiles: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O
type: ChemicalSubstance
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)
cas number: 68412-23-7
cas number: 25155-19-5
broader: CHEMONTID_0003600
formula: C10H8O3S
cas number: 85-47-2
iupac name: naphthalene-1-sulfonic acid @en
notation: 1Nafsfzr
cas number: 119020-53-0
cas number: 68153-01-5

perfluor-2-methoxyazijnzuur
inchikey: IHYMJUVQLSNPPP-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C3HF5O3
type: ChemicalSubstance
iupac name: 2,2-difluoro-2-(trifluoromethoxy)acetic acid @en
smiles: C(=O)(C(OC(F)(F)F)(F)F)O
cas number: 674-13-5
inchi: InChI=1S/C3HF5O3/c4-2(5,1(9)10)11-3(6,7)8/h(H,9,10)
type: Concept
type: ChemicalCompound
pubchem: 5125273
broader: CHEMONTID_0003000
notation: PFMOAA

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

2,4-D 2-ethylhexylester
pubchem: 61286
in scheme: Conceptschema Chemische Stoffen
alternative label: 2,4-d 2-ethylhexylester
type: ChemicalSubstance
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
broader: CHEMONTID_0000417
smiles: CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
cas number: 1928-43-4
iupac name: 2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate @en
inchikey: QZSFJRIWRPJUOH-UHFFFAOYSA-N
notation: 24D2C2yC6yEs
cas number: 25168-26-7
type: ChemicalCompound
type: Concept

ethylacrylaat
cas number: 153313-65-6
cas number: 9003-32-1
formula: C5H8O2
iupac name: ethyl prop-2-enoate @en
comment: VLAR II bijl. 4.4.2
pubchem: 8821
notation: C2yaclt
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 012
cas number: 140-88-5
is referenced by: LUC IV 004
cas number: 169238-64-6
type: Concept
inchi: InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3
broader: CHEMONTID_0004452
smiles: CCOC(=O)C=C
cas number: 37199-30-7
inchikey: JIGUQPWFLRLWPJ-UHFFFAOYSA-N
is referenced by: LUC IV 000
cas number: 116404-62-7
cas number: 87605-70-7
type: ChemicalCompound

benazolin
notation: benzln
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
iupac name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid @en
type: Concept
inchikey: HYJSGOXICXYZGS-UHFFFAOYSA-N
pubchem: 19662
broader: CHEMONTID_0000060
smiles: C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O
cas number: 3813-05-6
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)
type: ChemicalCompound
formula: C9H6ClNO3S

tetrakis(hydroxymethyl)fosfoniumsulfaat
type: Concept
formula: C8H24O12P2S
smiles: C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]
type: ChemicalSubstance
broader: CHEMONTID_0001180
notation: T4kHOC1yPSO4
inchikey: YIEDHPBKGZGLIK-UHFFFAOYSA-L
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
cas number: 65257-04-7
cas number: 58591-11-0
type: ChemicalCompound
cas number: 55566-30-8
in scheme: Conceptschema Chemische Stoffen
iupac name: tetrakis(hydroxymethyl)phosphanium sulfate @en
pubchem: 41478

2,2',3,3',4,4',5-heptachloorbifenyl (pcb170)
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene @en
type: ChemicalCompound
type: Concept
cas number: 35065-30-6
alternative label: 2,2',3,3',4,4',5-heptachloorbifenyl
inchikey: RMPWIIKNWPVWNG-UHFFFAOYSA-N
formula: C12H3Cl7
pubchem: 37037
notation: PCB170
broader: CHEMONTID_0003030
type: ChemicalSubstance
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

anilazine
pubchem: 7541
inchikey: IMHBYKMAHXWHRP-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0000284
smiles: C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl
iupac name: 4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine @en
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)
formula: C9H5Cl3N4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: anlzne
type: Concept
cas number: 101-05-3

lactofen
type: ChemicalSubstance
iupac name: (1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate @en
notation: lactfn
formula: C19H15ClF3NO7
cas number: 77501-63-4
type: Concept
inchikey: CONWAEURSVPLRM-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 143956-87-0
type: ChemicalCompound
broader: CHEMONTID_0004155
pubchem: 62276
cas number: 83513-60-4

tilmicosine
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
in scheme: Conceptschema Chemische Stoffen
cas number: 108050-54-0
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0000282
inchikey: JTSDBFGMPLKDCD-SWSPHLSKSA-N
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
formula: C46H80N2O13
pubchem: 6436128
type: ChemicalCompound
notation: tilmcsne

holmium
cas number: 7440-60-0
type: Concept
notation: Ho
pubchem: 23988
type: ChemicalSubstance
broader: CHEMONTID_0000429
formula: Ho
cas number: 24490-89-9
inchi: InChI=1S/Ho
inchikey: KJZYNXUDTRRSPN-UHFFFAOYSA-N
iupac name: HOLMIUM @en
cas number: 110444-52-5
type: ChemicalCompound
smiles: [Ho]
in scheme: Conceptschema Chemische Stoffen

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

molinaat
cas number: 2212-67-1
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0000307
type: ChemicalSubstance
pubchem: 16653
inchikey: DEDOPGXGGQYYMW-UHFFFAOYSA-N
smiles: CCSC(=O)N1CCCCCC1
notation: molnt
formula: C9H17NOS

chlorofeen
type: Concept
alternative label: 4-chloor-2-benzylfenol
cas number: 144246-47-9
cas number: 8013-49-8
notation: Clfn
inchikey: NCKMMSIFQUPKCK-UHFFFAOYSA-N
iupac name: 4-Chloro-2-(phenylmethyl)phenol @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 120-32-1
broader: CHEMONTID_0000369
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
smiles: C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O
type: ChemicalCompound
pubchem: 8425

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

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

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

3,4-dimethylfenol
type: ChemicalSubstance
inchi: InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
type: ChemicalCompound
formula: C8H10O
cas number: 95-65-8
broader: CHEMONTID_0001275
notation: 34DC1yFol
type: Concept
pubchem: 7249
smiles: CC1=C(C=C(C=C1)O)C
inchikey: YCOXTKKNXUZSKD-UHFFFAOYSA-N
iupac name: 3,4-Dimethylphenol @en
in scheme: Conceptschema Chemische Stoffen

4-tertiair-butylfenol
in scheme: Conceptschema Chemische Stoffen
inchikey: QHPQWRBYOIRBIT-UHFFFAOYSA-N
formula: C10H14O
smiles: CC(C)(C)C1=CC=C(C=C1)O
pubchem: 7393
type: Concept
broader: CHEMONTID_0002811
cas number: 98-54-4
type: ChemicalCompound
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
notation: 4ttC4yFol
type: ChemicalSubstance

thiopental
formula: C11H18N2O2S
type: ChemicalCompound
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)
inchikey: IUJDSEJGGMCXSG-UHFFFAOYSA-N
pubchem: 1244
iupac name: 5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione @en
type: ChemicalSubstance
cas number: 59709-53-4
broader: CHEMONTID_0001122
notation: toptl
smiles: CCCC(C)C1(C(=O)NC(=NC1=O)S)CC
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 76-75-5

4-nitrotolueen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
notation: 4NO2Tol
in scheme: Conceptschema Chemische Stoffen
cas number: 99-99-0
smiles: CC1=CC=C(C=C1)[N+](=O)[O-]
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
broader: CHEMONTID_0000036
inchikey: ZPTVNYMJQHSSEA-UHFFFAOYSA-N

koperoxide
type: Concept
notation: CuO
pubchem: 14829
type: ChemicalSubstance
type: ChemicalCompound
iupac name: oxocopper @en
smiles: O=[Cu]
cas number: 185461-92-1
formula: CuO
broader: CHEMONTID_0000538
inchi: InChI=1S/Cu.O
in scheme: Conceptschema Chemische Stoffen
cas number: 1317-38-0
inchikey: QPLDLSVMHZLSFG-UHFFFAOYSA-N

cyprofuram
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
iupac name: N-(3-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide @en
cas number: 69581-33-5
inchikey: KRZUZYJEQBXUIN-UHFFFAOYSA-N
notation: cypfrm
broader: CHEMONTID_0000394
type: ChemicalSubstance
smiles: C1CC1C(=O)N(C2CCOC2=O)C3=CC(=CC=C3)Cl
formula: C14H14ClNO3
pubchem: 50590

paraoxon-methyl
type: ChemicalSubstance
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
smiles: COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
cas number: 950-35-6
pubchem: 13708
formula: C8H10NO6P
inchikey: BAFQDKPJKOLXFZ-UHFFFAOYSA-N
notation: paroonC1y
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000036

dibenzylftalaat
iupac name: bis(phenylmethyl) benzene-1,2-dicarboxylate @en
cas number: 523-31-9
pubchem: 220773
notation: DbzFt
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
broader: CHEMONTID_0001350
inchikey: UCVPKAZCQPRWAY-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
formula: C22H18O4

nonylfenolpentaethoxylaat
notation: NPEO5
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
type: ChemicalSubstance
pubchem: 168503
type: ChemicalCompound
cas number: 26264-02-8
broader: CHEMONTID_0003338
smiles: CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCO
in scheme: Conceptschema Chemische Stoffen
inchikey: HRQQEXIVBZHHOQ-UHFFFAOYSA-N
formula: C25H44O6
type: Concept

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

3,3'-(ethyleendioxy)dipropiononitril
notation: 33C2yeDoxDpp
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000362
pubchem: 76921
iupac name: 3-[2-(2-cyanoethoxy)ethoxy]propanenitrile @en
smiles: C(COCCOCCC#N)C#N
cas number: 3386-87-6
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
inchikey: VTHRQKSLPFJQHN-UHFFFAOYSA-N
formula: C8H12N2O2
inchi: InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2

4-nitrodifenylamine
inchikey: XXYMSQQCBUKFHE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000036
formula: C12H10N2O2
cas number: 836-30-6
pubchem: 13271
smiles: C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-]
iupac name: 4-Nitro-N-phenylaniline @en
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
notation: 4NO2DFyAe
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

secundair-butylbenzeen
notation: secC4yBen
type: ChemicalSubstance
alternative label: sec-butylbenzeen
smiles: CCC(C)C1=CC=CC=C1
alternative label: butylbenzeen (vertakt en lineair)
cas number: 5787-28-0
inchikey: ZJMWRROPUADPEA-UHFFFAOYSA-N
cas number: 68411-44-9
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
notation: sC4yBen
type: ChemicalCompound
cas number: 36383-15-0
type: Concept
cas number: 135-98-8
in scheme: Conceptschema Chemische Stoffen
pubchem: 8680
broader: CHEMONTID_0002811
formula: C10H14

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

2,3',4',5-tetrachloorbifenyl
pubchem: 36186
smiles: C1=CC(=C(C=C1C2=C(C=CC(=C2)Cl)Cl)Cl)Cl
type: Concept
type: ChemicalSubstance
cas number: 32598-11-1
inchikey: KENZYIHFBRWMOD-UHFFFAOYSA-N
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: PCB70
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
formula: C12H6Cl4

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

oleandomycin
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
in scheme: Conceptschema Chemische Stoffen
inchikey: RZPAKFUAFGMUPI-QESOVKLGSA-N
type: ChemicalSubstance
type: ChemicalCompound
formula: C35H61NO12
pubchem: 72493
cas number: 3922-90-5
notation: oladmcn
broader: CHEMONTID_0000282
type: Concept
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

3-nitrotolueen
type: ChemicalSubstance
iupac name: 1-Methyl-3-nitrobenzene @en
type: ChemicalCompound
pubchem: 7422
inchi: InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
inchikey: QZYHIOPPLUPUJF-UHFFFAOYSA-N
broader: CHEMONTID_0000036
notation: 3NO2Tol
in scheme: Conceptschema Chemische Stoffen
cas number: 99-08-1
formula: C7H7NO2
smiles: CC1=CC(=CC=C1)[N+](=O)[O-]
type: Concept

protactinium
in scheme: Conceptschema Chemische Stoffen
formula: Pa
iupac name: PROTACTINIUM @en
cas number: 7440-13-3
notation: Pa
type: ChemicalCompound
type: ChemicalSubstance
inchikey: XLROVYAPLOFLNU-UHFFFAOYSA-N
broader: CHEMONTID_0000430
smiles: [Pa]
pubchem: 23945
type: Concept
inchi: InChI=1S/Pa

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

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

2,3-dioctylfenol
smiles: CCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCC
iupac name: 2,3-dioctylphenol @en
pubchem: 121608
broader: CHEMONTID_0004647
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
formula: C22H38O
cas number: 29988-16-7
type: Concept
inchikey: IXKVYSRDIVLASR-UHFFFAOYSA-N
notation: 23DC8yFol
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

iso-carbamid
inchikey: SBYAVOHNDJTVPA-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 30979-48-7
formula: C8H15N3O2
type: Concept
notation: icbmd
smiles: CC(C)CNC(=O)N1CCNC1=O
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
broader: CHEMONTID_0000079
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

cloxacilline
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
type: ChemicalCompound
formula: C19H18ClN3O5S
inchikey: LQOLIRLGBULYKD-JKIFEVAISA-N
cas number: 61-72-3
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0004830
in scheme: Conceptschema Chemische Stoffen
cas number: 50763-55-8
notation: cloxclne
cas number: 8056-79-9

4H-cyclopenta[d,e,f]fenantreen-4-on
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
type: ChemicalSubstance
smiles: C1=CC2=C3C(=C1)C(=O)C4=CC=CC(=C43)C=C2
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: IFCBMPOMNSORDG-UHFFFAOYSA-N
cas number: 5737-13-3
notation: 4HccPedefFen
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
alternative label: 4h-cyclopenta[d,e,f]fenantreen-4-on
type: Concept
broader: CHEMONTID_0000025

hexaflumuron
iupac name: N-[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide @en
pubchem: 91741
cas number: 86479-06-3
type: ChemicalSubstance
type: Concept
inchikey: RGNPBRKPHBKNKX-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C16H8Cl2F6N2O3
notation: Hxfmrn
broader: CHEMONTID_0004513

2,2',3,4',5'-pentachloorbifenyl
pubchem: 38881
formula: C12H5Cl5
type: Concept
iupac name: 1,2,4-trichloro-5-(2,3-dichlorophenyl)benzene @en
inchikey: JTUSORDQZVOEAZ-UHFFFAOYSA-N
cas number: 41464-51-1
notation: PCB97
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0003030

ethyl-4-hydroxybenzoaat
in scheme: Conceptschema Chemische Stoffen
smiles: CCOC(=O)C1=CC=C(C=C1)O
type: Concept
type: ChemicalSubstance
iupac name: Ethyl 4-hydroxybenzoate @en
inchikey: NUVBSKCKDOMJSU-UHFFFAOYSA-N
notation: C2y4HOxbzat
broader: CHEMONTID_0004702
type: ChemicalCompound
pubchem: 8434
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

nikkel
iupac name: Nickel @en
is referenced by: LUC I 002
cas number: 195161-84-3
comment: VLAR bijl. 2.5.8.1 'Nikkel'
formula: Ni
comment: VLAR II (D2/D5) 'nikkel'
comment: VLAR III (D3) 'Nikkel en de verbindingen daarvan, uitgedrukt als nikkel (Ni)'
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000426
comment: VLAR III (D3) 'Nikkel'
comment: VLAR II bijl. 4.4.2 'nikkel en zijn verbindingen, uitgedrukt in Ni'
type: ChemicalSubstance
notation: Ni
definition: nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)
pubchem: 935
alternative label: Nikkel (Ni)
type: ChemicalCompound
is referenced by: LUC III 010
cas number: 39303-46-3
comment: VLAR II (D5) 'nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)'
inchikey: PXHVJJICTQNCMI-UHFFFAOYSA-N
comment: VLAR III (D3, diverse art) 'Ni'
cas number: 68412-20-4
cas number: 53527-81-4
cas number: 17375-04-1
cas number: 21595-53-9
inchi: InChI=1S/Ni
cas number: 7440-02-0
comment: VLAR II bijl. 4.4.2 nikkel (nikkelmetaal, nikkelsulfide en sulfidische ertsen, nikkeloxide en nikkelcarbonaat, nikkeltetracarbonyl), uitgedrukt in Ni'
cas number: 14903-34-5
smiles: [Ni]
cas number: 112084-17-0
cas number: 8049-31-8

progesteron
cas number: 8012-32-6
inchikey: RJKFOVLPORLFTN-LEKSSAKUSA-N
cas number: 753497-20-0
cas number: 257630-50-5
pubchem: 5994
cas number: 8023-13-0
broader: CHEMONTID_0001468
in scheme: Conceptschema Chemische Stoffen
notation: progtrn
type: ChemicalSubstance
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
cas number: 57-83-0
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
type: Concept
type: ChemicalCompound

ethyl-4,4'-dichloorbenzilaat
broader: CHEMONTID_0000369
formula: C16H14Cl2O3
notation: C2y44DClbzlt
type: ChemicalCompound
inchikey: RAPBNVDSDCTNRC-UHFFFAOYSA-N
iupac name: ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate @en
pubchem: 10522
type: Concept
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 510-15-6
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

tibolon
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
type: ChemicalCompound
type: ChemicalSubstance
broader: CHEMONTID_0001194
notation: tibln
formula: C21H28O2
type: Concept
pubchem: 444008
in scheme: Conceptschema Chemische Stoffen
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
cas number: 5630-53-5
inchikey: WZDGZWOAQTVYBX-XOINTXKNSA-N

5-chloor-2-nitrotolueen
type: ChemicalSubstance
broader: CHEMONTID_0000036
formula: C7H6ClNO2
inchi: InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
type: ChemicalCompound
smiles: CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
iupac name: 4-chloro-2-methyl-1-nitrobenzene @en
cas number: 5367-28-2
type: Concept
inchikey: NSMZCUAVEOTJDS-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 79329
notation: 5Cl2NO2Tol

uranium 237
inchikey: JFALSRSLKYAFGM-BJUDXGSMSA-N
notation: U237
type: Concept
smiles: [U]
in scheme: Conceptschema Chemische Stoffen
iupac name: uranium-237 @en
pubchem: 167047
formula: U
type: ChemicalSubstance
cas number: 14269-75-1
broader: CHEMONTID_0000430
inchi: InChI=1S/U/i1-1
type: ChemicalCompound

cyclanilide
cas number: 113136-77-9
formula: C11H9Cl2NO3
notation: cycnlde
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)
type: Concept
pubchem: 86133
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 2-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid @en
broader: CHEMONTID_0000285
type: ChemicalSubstance
inchikey: DIOZMSACJPTBST-UHFFFAOYSA-N
smiles: C1C(C1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)Cl

C9-rijk di-C8-10-vertakt alkylftalaat
type: ChemicalSubstance
broader: CHEMONTID_0001350
iupac name: bis(7-methyloctyl) benzene-1,2-dicarboxylate @en
pubchem: 590836
type: ChemicalCompound
alternative label: di-isononylftalaat (mix van isomeren)
notation: C9D810akFt
type: Concept
inchikey: HBGGXOJOCNVPFY-UHFFFAOYSA-N
notation: DiC9yFt
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
cas number: 28553-12-0
in scheme: Conceptschema Chemische Stoffen
cas number: 68515-48-0
alternative label: diisononylftalaat
formula: C26H42O4

carbetamide
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
broader: CHEMONTID_0004714
notation: carbtAd
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C12H16N2O3
cas number: 16118-49-3
iupac name: [(2S)-1-ethylamino-1-oxopropan-2-yl] N-phenylcarbamate @en
pubchem: 443067
type: ChemicalCompound
smiles: CCNC(=O)C(C)OC(=O)NC1=CC=CC=C1
type: Concept
inchikey: AMRQXHFXNZFDCH-VIFPVBQESA-N

1-methoxy-2-propanol
notation: 1C1oxC3ol
smiles: CC(COC)O
pubchem: 7900
inchi: InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
formula: C4H10O2
broader: CHEMONTID_0001661
type: ChemicalSubstance
inchikey: ARXJGSRGQADJSQ-UHFFFAOYSA-N
type: Concept
type: ChemicalCompound
cas number: 58769-19-0
cas number: 107-98-2
in scheme: Conceptschema Chemische Stoffen
iupac name: 1-Methoxypropan-2-ol @en

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

acetaminophen sulfaatester
type: ChemicalCompound
iupac name: potassium (4-acetamidophenyl) sulfate @en
broader: CHEMONTID_0002626
pubchem: 6365369
cas number: 129396-21-0
cas number: 32113-41-0
smiles: CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
type: ChemicalSubstance
inchikey: AJYPYWFCUWHZMZ-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
notation: actmnpSO4Esr
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
formula: C8H8KNO5S
type: Concept
cas number: 10066-90-7

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

p-fenolsulfonzuur
smiles: C1=CC(=CC=C1O)S(=O)(=O)O
inchi: InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
cas number: 28469-73-0
in scheme: Conceptschema Chemische Stoffen
cas number: 98-67-9
type: ChemicalSubstance
type: Concept
inchikey: FEPBITJSIHRMRT-UHFFFAOYSA-N
type: ChemicalCompound
formula: C6H6O4S
broader: CHEMONTID_0000032
iupac name: 4-Hydroxybenzenesulfonic acid @en
pubchem: 4765
notation: pFolsfzr

trans-chloorfenvinfos
type: ChemicalSubstance
notation: bClfvfs
type: ChemicalCompound
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+
cas number: 18708-86-6
type: Concept
inchikey: FSAVDKDHPDSCTO-XYOKQWHBSA-N
pubchem: 5377791
formula: C12H14Cl3O4P
broader: CHEMONTID_0002564
in scheme: Conceptschema Chemische Stoffen
iupac name: [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate @en
alternative label: beta-chloorfenvinfos

1,2,3,7,8-pentachloordibenzofuran
is referenced by: LUC VI 002
alternative label: 1,2,3,7,8-pentachloordibenzofuraan
notation: PCDF94
inchikey: SBMIVUVRFPGOEB-UHFFFAOYSA-N
type: ChemicalSubstance
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
alternative label: 1,2,3,7,8-pentachloordibenzofuraan (pecdf)
pubchem: 42138
type: ChemicalCompound
iupac name: 1,2,3,7,8-PENTACHLORODIBENZOFURAN @en
comment: VLAR II+ bijlagen
formula: C12H3Cl5O
cas number: 57117-41-6
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003029
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
type: Concept

2-fenyl-1h-benzimidazol-5-sulfonzuur
notation: 2Fy1Hbzmdz5s
broader: CHEMONTID_0000330
formula: C13H10N2O3S
iupac name: 2-phenyl-3H-benzimidazole-5-sulfonic acid @en
type: Concept
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)
type: ChemicalCompound
cas number: 27503-81-7
inchikey: UVCJGUGAGLDPAA-UHFFFAOYSA-N
alternative label: 2-fenyl-1H-benzimidazol-5-sulfonzuur
in scheme: Conceptschema Chemische Stoffen
pubchem: 33919
cas number: 165659-93-8
type: ChemicalSubstance

cyhalofop-butyl
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
inchikey: TYIYMOAHACZAMQ-CQSZACIVSA-N
broader: CHEMONTID_0004155
formula: C20H20FNO4
notation: cyhlfC4y
pubchem: 180089
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
cas number: 122008-85-9
iupac name: butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate @en

tridecanal
broader: CHEMONTID_0000298
iupac name: TRIDECANAL @en
smiles: CCCCCCCCCCCCC=O
type: ChemicalSubstance
type: ChemicalCompound
cas number: 10486-19-8
formula: C13H26O
pubchem: 25311
notation: C13al
inchi: InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: BGEHHAVMRVXCGR-UHFFFAOYSA-N

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

dotriacontaan
iupac name: DOTRIACONTANE @en
formula: C32H66
notation: C32a
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
cas number: 544-85-4
inchikey: QHMGJGNTMQDRQA-UHFFFAOYSA-N
pubchem: 11008

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

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

dioxacarb
formula: C11H13NO4
iupac name: [2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate @en
smiles: CNC(=O)OC1=CC=CC=C1C2OCCO2
type: ChemicalSubstance
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)
type: Concept
inchikey: SDKQRNRRDYRQKY-UHFFFAOYSA-N
notation: DOacb
broader: CHEMONTID_0004742
pubchem: 23421
cas number: 6988-21-2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

cis-1,3-dichloorpropeen
cas number: 542-75-6
alternative label: 1,3-dichloorpropeen
broader: CHEMONTID_0002863
alternative label: 1,3-dichloorpropeen (cis+trans)
formula: C3H4Cl2
pubchem: 5280970
type: ChemicalSubstance
notation: c13DClC3e
in scheme: Conceptschema Chemische Stoffen
alternative label: 1,3-dichloorpropeen, cis
iupac name: (Z)-1,3-dichloroprop-1-ene @en
inchi: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-
type: ChemicalCompound
type: Concept
inchikey: UOORRWUZONOOLO-UPHRSURJSA-N
notation: 13DClC3e
smiles: C(C=CCl)Cl
cas number: 10061-01-5

benzyl 4-hydroxybenzoaat
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
formula: C14H12O3
in scheme: Conceptschema Chemische Stoffen
notation: benz4HOxbzat
type: ChemicalSubstance
broader: CHEMONTID_0004702
cas number: 94-18-8
type: ChemicalCompound
inchikey: MOZDKDIOPSPTBH-UHFFFAOYSA-N
pubchem: 7180
type: Concept
iupac name: Phenylmethyl 4-hydroxybenzoate @en
smiles: C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O

diepoxybutaan
iupac name: 2-(oxiran-2-yl)oxirane @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000159
cas number: 298-18-0
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
notation: DepOxC4a
smiles: C1C(O1)C2CO2
formula: C4H6O2
pubchem: 11254
cas number: 1464-53-5
inchi: InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
inchikey: ZFIVKAOQEXOYFY-UHFFFAOYSA-N

benzoxoniumchloride
inchikey: UUSQFLGKGQEVCM-UHFFFAOYSA-M
smiles: CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.[Cl-]
broader: CHEMONTID_0000185
formula: C23H42ClNO2
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 29563
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
notation: benzxnuCl
iupac name: benzyl-dodecyl-bis(2-hydroxyethyl)azanium chloride @en
cas number: 19379-90-9

endosulfanether
inchikey: CKPWHXBGVRURFU-UHFFFAOYSA-N
pubchem: 97768
broader: CHEMONTID_0002648
iupac name: 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene @en
cas number: 3369-52-6
notation: endsfetr
type: ChemicalCompound
type: Concept
formula: C9H6Cl6O
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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

benzanthron
inchikey: HUKPVYBUJRAUAG-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
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
formula: C17H10O
cas number: 82-05-3
pubchem: 6697
cas number: 57608-35-2
notation: Benztn
type: ChemicalCompound
broader: CHEMONTID_0000025
cas number: 116495-96-6
smiles: C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O

2-trifluormethylaniline
type: Concept
iupac name: 2-(Trifluoromethyl)aniline @en
pubchem: 6922
smiles: C1=CC=C(C(=C1)C(F)(F)F)N
in scheme: Conceptschema Chemische Stoffen
cas number: 88-17-5
type: ChemicalCompound
inchikey: VBLXCTYLWZJBKA-UHFFFAOYSA-N
type: ChemicalSubstance
notation: 2TFC1yAn
formula: C7H6F3N
broader: CHEMONTID_0004551
inchi: InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2

diboortrioxide
inchi: InChI=1S/B2O3/c3-1-5-2-4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
broader: CHEMONTID_0000534
iupac name: oxo-oxoboranyloxyborane @en
notation: B2O3
pubchem: 518682
type: Concept
formula: B2O3
smiles: B(=O)OB=O
type: ChemicalCompound
inchikey: JKWMSGQKBLHBQQ-UHFFFAOYSA-N
cas number: 1303-86-2

sarafloxacine
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
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: KNWODGJQLCISLC-UHFFFAOYSA-N
pubchem: 56207
formula: C20H18ClF2N3O3
cas number: 91296-87-6
type: ChemicalSubstance
broader: CHEMONTID_0002348
type: Concept
cas number: 98105-99-8
iupac name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrochloride @en

iprobenfos
notation: ipnfs
inchikey: FCOAHACKGGIURQ-UHFFFAOYSA-N
broader: CHEMONTID_0002279
formula: C13H21O3PS
type: ChemicalCompound
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
cas number: 72779-52-3
cas number: 62601-78-9
smiles: CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
cas number: 26087-47-8
pubchem: 33294
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance

arseniet
type: ChemicalCompound
inchikey: OWTFKEBRIAXSMO-UHFFFAOYSA-N
cas number: 15502-74-6
formula: AsO3-3
smiles: [O-][As]([O-])[O-]
iupac name: arsorite @en
notation: AsO2
pubchem: 544
type: Concept
type: ChemicalSubstance
cas number: 11118-55-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001475
inchi: InChI=1S/AsO3/c2-1(3)4/q-3

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

buminafos
type: ChemicalCompound
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
notation: bumnfs
cas number: 51249-05-9
pubchem: 39966
cas number: 60327-85-7
type: Concept
iupac name: N-butyl-1-dibutoxyphosphorylcyclohexan-1-amine @en
type: ChemicalSubstance
inchikey: NMBXMBCZBXUXAM-UHFFFAOYSA-N
broader: CHEMONTID_0004482
smiles: CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC
in scheme: Conceptschema Chemische Stoffen

valnemuline
broader: CHEMONTID_0002003
formula: C31H52N2O5S
inchikey: LLYYNOVSVPBRGV-NFQTWZMKSA-N
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
in scheme: Conceptschema Chemische Stoffen
pubchem: 443605
type: ChemicalSubstance
cas number: 101312-92-9
type: ChemicalCompound
type: Concept
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

thiocyclam
type: Concept
type: ChemicalCompound
formula: C5H11NS3
inchi: InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3
pubchem: 35970
broader: CHEMONTID_0001862
iupac name: N,N-dimethyltrithian-5-amine @en
smiles: CN(C)C1CSSSC1
type: ChemicalSubstance
notation: toccm
cas number: 84523-34-2
in scheme: Conceptschema Chemische Stoffen
cas number: 31895-21-3
inchikey: DNVLJEWNNDHELH-UHFFFAOYSA-N

1,2,3,4,8-pentachloordibenzofuraan
pubchem: 49923
type: ChemicalCompound
type: Concept
formula: C12H3Cl5O
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,3,4,8-PENTACHLORODIBENZOFURAN @en
inchikey: ZCTNDJSCLPJCRA-UHFFFAOYSA-N
broader: CHEMONTID_0003029
notation: PCDF89
type: ChemicalSubstance
cas number: 67517-48-0
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

2,3-dihydroindol-2-on
inchi: InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-10H
notation: 23DHindl2on
cas number: 59-48-3
broader: CHEMONTID_0004162
smiles: C1=CC=C2C(=C1)C=C(N2)O
inchikey: JHFAEUICJHBVHB-UHFFFAOYSA-N
pubchem: 65531
in scheme: Conceptschema Chemische Stoffen
iupac name: 1H-Indol-2-ol @en
type: Concept
cas number: 16990-73-1
type: ChemicalSubstance
type: ChemicalCompound
formula: C8H7NO

benzeen
is referenced by: LUC IV 011
comment: VLAR II bijl. 2.5.3
comment: VLAR II bijl. 4.4.2
notation: Ben
formula: C6H6
comment: VLAR II (D2) diverse art.
inchi: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
type: ChemicalCompound
type: Concept
comment: VLAR III (D3, diverse art)
broader: CHEMONTID_0002279
cas number: 174973-66-1
smiles: C1=CC=CC=C1
cas number: 27271-55-2
pubchem: 241
cas number: 26181-88-4
cas number: 68956-52-5
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 000
cas number: 71-43-2
is referenced by: LUC IV 001
inchikey: UHOVQNZJYSORNB-UHFFFAOYSA-N
iupac name: BENZENE @en
type: ChemicalSubstance
cas number: 54682-86-9

hexahydro-1,3,5-trinitro-1,3,5-triazin (rdx)
inchikey: XTFIVUDBNACUBN-UHFFFAOYSA-N
pubchem: 8490
type: ChemicalCompound
inchi: InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2
cas number: 82030-42-0
alternative label: hexahydro-1,3,5-trinitro-1,3,5-triazin (RDX)
cas number: 53800-53-6
formula: C3H6N6O6
type: ChemicalSubstance
iupac name: 1,3,5-trinitro-1,3,5-triazinane @en
in scheme: Conceptschema Chemische Stoffen
cas number: 57608-45-4
cas number: 121-82-4
broader: CHEMONTID_0002798
type: Concept
cas number: 50579-23-2
notation: RDX
smiles: C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
cas number: 204655-61-8

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

dichloorbenzidine
pubchem: 3033870
notation: DClbzdne
inchikey: LPDSNGAFAJYVKH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C12H10Cl2N2
iupac name: 4-(4-aminophenyl)-2,3-dichloroaniline @en
broader: CHEMONTID_0003955
type: Concept
type: ChemicalCompound
type: ChemicalSubstance
smiles: C1=CC(=CC=C1C2=C(C(=C(C=C2)N)Cl)Cl)N
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
cas number: 1331-47-1

hexacosaan
pubchem: 12407
broader: CHEMONTID_0002500
iupac name: HEXACOSANE @en
notation: C26a
formula: C26H54
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCC
type: Concept
type: ChemicalCompound
cas number: 630-01-3
inchikey: HMSWAIKSFDFLKN-UHFFFAOYSA-N

diisobutylftalaat
type: Concept
broader: CHEMONTID_0001350
cas number: 68955-80-6
type: ChemicalCompound
formula: C16H22O4
type: ChemicalSubstance
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
smiles: CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
in scheme: Conceptschema Chemische Stoffen
notation: DiC4yFt
pubchem: 6782
cas number: 84-69-5
iupac name: bis(2-methylpropyl) benzene-1,2-dicarboxylate @en
alternative label: di-isobutylftalaat
inchikey: MGWAVDBGNNKXQV-UHFFFAOYSA-N
cas number: 68951-39-3

fenol
pubchem: 996
comment: VLAR III (D3, diverse art)
inchikey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
cas number: 27073-41-2
in scheme: Conceptschema Chemische Stoffen
notation: Fol
cas number: 63496-48-0
type: ChemicalSubstance
cas number: 73607-76-8
formula: C6H6O
type: Concept
cas number: 61788-41-8
broader: CHEMONTID_0004647
inchi: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
comment: VLAR II bijl. 4.4.2
is referenced by: LUC III 005
cas number: 108-95-2
iupac name: PHENOL @en
cas number: 1336-35-2
cas number: 50356-25-7
smiles: C1=CC=C(C=C1)O
type: ChemicalCompound
cas number: 14534-23-7
cas number: 8002-07-1

2-isopropylfenol
notation: 2iC3yFol
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 2-propan-2-ylphenol @en
smiles: CC(C)C1=CC=CC=C1O
type: ChemicalSubstance
inchi: InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
inchikey: CRBJBYGJVIBWIY-UHFFFAOYSA-N
broader: CHEMONTID_0000355
cas number: 88-69-7
pubchem: 6943
type: ChemicalCompound
formula: C9H12O
cas number: 25168-06-3

naproxen
cas number: 26159-31-9
type: ChemicalSubstance
type: Concept
inchikey: CMWTZPSULFXXJA-UHFFFAOYSA-N
notation: napxn
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 22204-53-1
cas number: 23981-80-8
pubchem: 1302
smiles: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
broader: CHEMONTID_0000023
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)
formula: C14H14O3
iupac name: 2-(6-methoxynaphthalen-2-yl)propanoic acid @en

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

fenthion-oxon
pubchem: 23046
iupac name: dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate @en
type: ChemicalCompound
broader: CHEMONTID_0004742
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
type: Concept
cas number: 6552-12-1
notation: fentoOon
smiles: CC1=C(C=CC(=C1)OP(=O)(OC)OC)SC
type: ChemicalSubstance
inchikey: ZNRZGJAHNMGWQN-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C10H15O4PS

cymiazool
formula: C12H14N2S
in scheme: Conceptschema Chemische Stoffen
smiles: CC1=CC(=C(C=C1)N=C2N(C=CS2)C)C
type: Concept
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
type: ChemicalCompound
inchikey: YUAUPYJCVKNAEC-UHFFFAOYSA-N
notation: cymazl
pubchem: 43714
type: ChemicalSubstance
broader: CHEMONTID_0004209
cas number: 61676-87-7

1,2,3,4,7,8-hexachloordibenzofuraan
type: ChemicalCompound
cas number: 70648-26-9
pubchem: 51130
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
comment: VLAR II+ bijlagen
inchikey: LVYBAQIVPKCOEE-UHFFFAOYSA-N
broader: CHEMONTID_0003029
in scheme: Conceptschema Chemische Stoffen
alternative label: 1,2,3,4,7,8-hexachloordibenzofuran
iupac name: 1,2,3,4,7,8-HEXACHLORODIBENZOFURAN @en
is referenced by: LUC VI 002
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
alternative label: 1,2,3,4,7,8-hexachloordibenzofuraan (hxcdf)
type: ChemicalSubstance
notation: PCDF118
formula: C12H2Cl6O
type: Concept

ceftiofur
broader: CHEMONTID_0001189
cas number: 80370-57-6
notation: ceftofr
type: ChemicalSubstance
type: Concept
cas number: 104010-37-9
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalCompound
inchikey: RFLHUYUQCKHUKS-JUODUXDSSA-M
pubchem: 9571073
formula: C19H16N5NaO7S3
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

desmedifam
iupac name: [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate @en
pubchem: 24743
formula: C16H16N2O4
notation: desmdfm
inchikey: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 13684-56-5
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0004714
type: ChemicalCompound
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)

acenafteen
broader: CHEMONTID_0000023
inchikey: CWRYPZZKDGJXCA-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 001
cas number: 83-32-9
inchi: InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
notation: AcNe
formula: C12H10
type: Concept
iupac name: Acenaphthene @en
type: ChemicalSubstance
smiles: C1CC2=CC=CC3=C2C1=CC=C3
pubchem: 6734
type: ChemicalCompound

gadoteridol
formula: C17H29GdN4O7
broader: CHEMONTID_0002404
type: ChemicalSubstance
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
type: Concept
smiles: CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]
pubchem: 60714
inchikey: DPNNNPAKRZOSMO-UHFFFAOYSA-K
type: ChemicalCompound
notation: gadtrdl
cas number: 120066-54-8
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
in scheme: Conceptschema Chemische Stoffen

2-methyl-4-chloorfenoxyboterzuur
alternative label: 4-(4-chloor-2-methylfenoxy)boterzuur
notation: MCPB
inchikey: LLWADFLAOKUBDR-UHFFFAOYSA-N
broader: CHEMONTID_0002341
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)
smiles: CC1=C(C=CC(=C1)Cl)OCCCC(=O)O
cas number: 94-81-5
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
iupac name: 4-(4-Chloro-2-methylphenoxy)butanoic acid @en
pubchem: 7207
type: ChemicalCompound
alternative label: 4-(4-chloro-2-methylfenoxy)boterzuur (mcpb)

terbutryn
broader: CHEMONTID_0004735
type: Concept
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)
type: ChemicalSubstance
formula: C10H19N5S
smiles: CCNC1=NC(=NC(=N1)SC)NC(C)(C)C
in scheme: Conceptschema Chemische Stoffen
alternative label: terbutrin
cas number: 886-50-0
type: ChemicalCompound
notation: terbtn
pubchem: 13450
iupac name: N-tert-butyl-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine @en
inchikey: IROINLKCQGIITA-UHFFFAOYSA-N

ethylbenzeen
pubchem: 7500
inchikey: YNQLUTRBYVCPMQ-UHFFFAOYSA-N
cas number: 100-41-4
is referenced by: LUC IV 011
formula: C8H10
iupac name: Ethylbenzene @en
type: Concept
cas number: 68908-88-3
in scheme: Conceptschema Chemische Stoffen
cas number: 70955-17-8
inchi: InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
is referenced by: LUC IV 000
smiles: CCC1=CC=CC=C1
comment: VLAR II bijl. 4.4.2
type: ChemicalCompound
is referenced by: LUC IV 001
cas number: 28213-80-1
type: ChemicalSubstance
notation: C2yBen
broader: CHEMONTID_0002279

carbofenothion
broader: CHEMONTID_0004631
pubchem: 13081
iupac name: (4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en
type: ChemicalSubstance
cas number: 786-19-6
type: Concept
inchikey: VEDTXTNSFWUXGQ-UHFFFAOYSA-N
smiles: CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl
notation: carbfnton
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C11H16ClO2PS3

2,3,7-trimethyloctaan
inchi: InChI=1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3
broader: CHEMONTID_0004620
smiles: CC(C)CCCC(C)C(C)C
type: Concept
cas number: 62016-34-6
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,3,7-TRIMETHYLOCTANE @en
pubchem: 43867
type: ChemicalCompound
formula: C11H24
inchikey: XJKKSYAVEVAGFX-UHFFFAOYSA-N
notation: 237TC1yC8a

dazomet
notation: dazmt
broader: CHEMONTID_0003094
iupac name: 3,5-Dimethyl-1,3,5-thiadiazinane-2-thione @en
formula: C5H10N2S2
cas number: 533-74-4
inchikey: QAYICIQNSGETAS-UHFFFAOYSA-N
smiles: CN1CN(C(=S)SC1)C
type: Concept
pubchem: 10788
type: ChemicalSubstance
type: ChemicalCompound
cas number: 55146-10-6
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3

difenhydramine
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
formula: C17H21NO
iupac name: 2-[di(phenyl)methoxy]-N,N-dimethylethanamine @en
smiles: CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
pubchem: 3100
cas number: 58-73-1
broader: CHEMONTID_0000369
inchikey: ZZVUWRFHKOJYTH-UHFFFAOYSA-N
notation: Dfhdmne
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
type: ChemicalCompound

ditalimfos
broader: CHEMONTID_0004749
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C12H14NO4PS
inchikey: MTBZIGHNGSTDJV-UHFFFAOYSA-N
pubchem: 21207
type: ChemicalSubstance
smiles: CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC
type: ChemicalCompound
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
cas number: 5131-24-8
notation: Dtlfs
iupac name: 2-diethoxyphosphinothioylisoindole-1,3-dione @en

2-propyl-2-heptenal
smiles: CCCCC=C(CCC)C=O
inchikey: GADNZGQWPNTMCH-NTMALXAHSA-N
type: Concept
iupac name: (Z)-2-propylhept-2-enal @en
type: ChemicalSubstance
broader: CHEMONTID_0002229
cas number: 34880-43-8
notation: 2C3y2C7eal
in scheme: Conceptschema Chemische Stoffen
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-
pubchem: 6386353
type: ChemicalCompound

octadecaan
iupac name: Octadecane @en
inchikey: RZJRJXONCZWCBN-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
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
type: Concept
in scheme: Conceptschema Chemische Stoffen
formula: C18H38
pubchem: 11635
notation: C18a
broader: CHEMONTID_0002500
cas number: 593-45-3
smiles: CCCCCCCCCCCCCCCCCC

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

t-butylacetaat
inchikey: WMOVHXAZOJBABW-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 10908
notation: ttC4yactt
type: Concept
alternative label: tertiair-butylacetaat
cas number: 540-88-5
iupac name: tert-Butyl acetate @en
type: ChemicalCompound
smiles: CC(=O)OC(C)(C)C
in scheme: Conceptschema Chemische Stoffen
formula: C6H12O2
inchi: InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
is referenced by: LUC IV 004
broader: CHEMONTID_0001238
is referenced by: LUC IV 012

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

2-butanon
type: ChemicalSubstance
broader: CHEMONTID_0000118
is referenced by: LUC IV 000
inchi: InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
cas number: 135311-02-3
alternative label: 2-butanon (MEK)
comment: VLAR II bijl. 4.4.2 'butanon'
inchikey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
cas number: 78-93-3
is referenced by: LUC IV 012
in scheme: Conceptschema Chemische Stoffen
type: Concept
formula: C4H8O
smiles: CCC(=O)C
notation: 2C4on
iupac name: butan-2-one @en
is referenced by: LUC IV 007
type: ChemicalCompound
pubchem: 6569

fosfolan
notation: fosfln
type: ChemicalCompound
type: ChemicalSubstance
iupac name: N-diethoxyphosphoryl-1,3-dithiolan-2-imine @en
pubchem: 13689
inchi: InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3
type: Concept
formula: C7H14NO3PS2
cas number: 99910-17-5
broader: CHEMONTID_0000408
inchikey: ILBONRFSLATCRE-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
smiles: CCOP(=O)(N=C1SCCS1)OCC
cas number: 947-02-4

penicilline v
type: Concept
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
cas number: 87-08-1
type: ChemicalCompound
broader: CHEMONTID_0001189
inchikey: HCTVWSOKIJULET-LQDWTQKMSA-M
in scheme: Conceptschema Chemische Stoffen
notation: penclnV
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
formula: C16H17KN2O5S
cas number: 132-98-9
pubchem: 8605
type: ChemicalSubstance
cas number: 8059-73-2
alternative label: penicilline V

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

didecyldimethylammoniumbromide
formula: C22H48BrN
cas number: 20256-56-8
notation: DDMAB
type: Concept
cas number: 2390-68-3
pubchem: 16957
iupac name: didecyl-dimethylazanium bromide @en
type: ChemicalSubstance
broader: CHEMONTID_0004225
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
inchikey: UMGXUWVIJIQANV-UHFFFAOYSA-M
alternative label: didecyldimethylammonium
type: ChemicalCompound
smiles: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]
in scheme: Conceptschema Chemische Stoffen

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

argon
pubchem: 23968
cas number: 24494-51-7
iupac name: ARGON @en
cas number: 13473-05-7
inchikey: XKRFYHLGVUSROY-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Ar
cas number: 75714-55-5
notation: Ar
smiles: [Ar]
cas number: 137736-93-7
cas number: 7440-37-1
type: ChemicalSubstance
formula: Ar
broader: CHEMONTID_0000433
cas number: 50938-66-4

prometon
smiles: CC(C)NC1=NC(=NC(=N1)OC)NC(C)C
cas number: 1610-18-0
cas number: 11126-75-3
in scheme: Conceptschema Chemische Stoffen
notation: promtn
iupac name: 6-methoxy-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine @en
type: ChemicalSubstance
pubchem: 4928
broader: CHEMONTID_0004731
type: Concept
formula: C10H19N5O
inchikey: ISEUFVQQFVOBCY-UHFFFAOYSA-N
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)
type: ChemicalCompound

zwaveldioxide
iupac name: Sulfur dioxide @en
type: ChemicalSubstance
cas number: 83008-56-4
cas number: 7446-09-5
cas number: 89125-89-3
pubchem: 1119
type: Concept
cas number: 12396-99-5
is referenced by: CMA 2 III E
inchi: InChI=1S/O2S/c1-3-2
cas number: 12624-32-7
smiles: O=S=O
cas number: 8014-94-6
formula: O2S
is referenced by: LUC III 008
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000554
notation: SO2
inchikey: RAHZWNYVWXNFOC-UHFFFAOYSA-N
type: ChemicalCompound

2-benzothiazolsulfonamide
formula: C18H17N3S4
type: Concept
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: VILGDADBAQFRJE-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 77344
broader: CHEMONTID_0000311
iupac name: N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine @en
cas number: 3741-80-8
notation: 2bztazsfAd

tetraethylammonium bromide
broader: CHEMONTID_0004225
smiles: CC[N+](CC)(CC)CC.[Br-]
inchi: InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
formula: C8H20BrN
inchikey: HWCKGOZZJDHMNC-UHFFFAOYSA-M
type: ChemicalSubstance
notation: T4C2yeNHBr
pubchem: 6285
cas number: 65129-11-5
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 71-91-0
type: ChemicalCompound
cas number: 65129-07-9
iupac name: tetraethylazanium bromide @en

(2,4,5-trichloorfenoxy)azijnzuur (2,4,5-t)
cas number: 93-76-5
alternative label: 2,4,5-trichloorfenoxyazijnzuur
inchikey: SMYMJHWAQXWPDB-UHFFFAOYSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004525
iupac name: 2-(2,4,5-trichlorophenoxy)acetic acid @en
type: ChemicalCompound
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)
alternative label: (2,4,5-trichloorfenoxy)-azijnzuur (2,4,5-t)
pubchem: 1480
smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O
type: ChemicalSubstance
notation: 245T
formula: C8H5Cl3O3

5-chloorbenzotriazool
in scheme: Conceptschema Chemische Stoffen
formula: C6H4ClN3
type: ChemicalCompound
type: Concept
pubchem: 66760
inchikey: PZBQVZFITSVHAW-UHFFFAOYSA-N
smiles: C1=CC2=NNN=C2C=C1Cl
cas number: 94-97-3
inchi: InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
broader: CHEMONTID_0000315
notation: 5Clbztazl
iupac name: 5-chloro-2H-benzotriazole @en
type: ChemicalSubstance

1-ethyl-1-nitrosourea
inchikey: FUSGACRLAFQQRL-UHFFFAOYSA-N
notation: 1C2y1NO2sura
pubchem: 12967
broader: CHEMONTID_0001229
type: ChemicalCompound
type: Concept
inchi: InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
cas number: 2151-05-5
iupac name: 1-Ethyl-1-nitrosourea @en
cas number: 759-73-9
formula: C3H7N3O2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: CCN(C(=O)N)N=O

ethaan
pubchem: 6324
iupac name: ETHANE @en
type: ChemicalCompound
inchi: InChI=1S/C2H6/c1-2/h1-2H3
in scheme: Conceptschema Chemische Stoffen
notation: C2a
inchikey: OTMSDBZUPAUEDD-UHFFFAOYSA-N
type: ChemicalSubstance
cas number: 74-84-0
formula: C2H6
type: Concept
smiles: CC
broader: CHEMONTID_0002500

n-fenylformamide
type: ChemicalSubstance
smiles: C1=CC=C(C=C1)NC=O
alternative label: N-fenylformamide
formula: C7H7NO
broader: CHEMONTID_0000285
in scheme: Conceptschema Chemische Stoffen
cas number: 103-70-8
notation: NFYfAd
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
type: ChemicalCompound
inchikey: DYDNPESBYVVLBO-UHFFFAOYSA-N
type: Concept

2-fenylacetamide
inchikey: LSBDFXRDZJMBSC-UHFFFAOYSA-N
iupac name: 2-Phenylacetamide @en
smiles: C1=CC=C(C=C1)CC(=O)N
formula: C8H9NO
type: Concept
cas number: 4463-20-1
cas number: 103-81-1
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
notation: 2FyacAd
broader: CHEMONTID_0002363
pubchem: 7680
inchi: InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)

1,2,4-triazool
inchikey: NSPMIYGKQJPBQR-UHFFFAOYSA-N
smiles: C1=NC=NN1
iupac name: 1H-1,2,4-Triazole @en
broader: CHEMONTID_0000099
type: ChemicalCompound
type: Concept
cas number: 116421-29-5
notation: 124Tazl
inchi: InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
formula: C2H3N3
cas number: 288-88-0
pubchem: 9257
type: ChemicalSubstance
cas number: 288-89-1
cas number: 63598-71-0
cas number: 25167-73-1
in scheme: Conceptschema Chemische Stoffen
cas number: 27236-77-7

2,4-d butoxyethylester
smiles: CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
alternative label: 2,4-D butoxyethylester
notation: 24DC4oxC2yEs
type: Concept
type: ChemicalSubstance
inchikey: ZMWGIGHRZQTQRE-UHFFFAOYSA-N
pubchem: 16002
iupac name: 2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate @en
type: ChemicalCompound
broader: CHEMONTID_0000417
formula: C14H18Cl2O4
cas number: 1929-73-3
in scheme: Conceptschema Chemische Stoffen
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

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

tetrabutylammonium bromide
inchikey: JRMUNVKIHCOMHV-UHFFFAOYSA-M
type: Concept
broader: CHEMONTID_0004225
notation: T4C4yNH4Br
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
iupac name: tetrabutylazanium bromide @en
cas number: 65129-09-1
in scheme: Conceptschema Chemische Stoffen
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
pubchem: 74236
type: ChemicalSubstance
type: ChemicalCompound
formula: C16H36BrN
cas number: 1643-19-2
cas number: 65129-13-7

cyfluthrin
cas number: 83855-46-3
notation: cyftn
in scheme: Conceptschema Chemische Stoffen
pubchem: 104926
inchikey: QQODLKZGRKWIFG-UHFFFAOYSA-N
iupac name: [cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
type: ChemicalSubstance
formula: C22H18Cl2FNO3
type: Concept
cas number: 68359-37-5
broader: CHEMONTID_0001461
type: ChemicalCompound

1,2,3,6,7,8-hexachloordibenzofuraan (hxcdf)
type: Concept
cas number: 57117-44-9
formula: C12H2Cl6O
pubchem: 42140
type: ChemicalCompound
alternative label: 1,2,3,6,7,8-hexachloordibenzofuran
iupac name: 1,2,3,6,7,8-HEXACHLORODIBENZOFURAN @en
inchikey: JEYJJJXOFWNEHN-UHFFFAOYSA-N
broader: CHEMONTID_0003029
alternative label: 1,2,3,6,7,8-hexachloordibenzofuraan
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
comment: VLAR III (D3, diverse art) 'dioxinen en furanen'
type: ChemicalSubstance
notation: PCDF121
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II+ bijlagen
is referenced by: LUC VI 002

napropamide
iupac name: N,N-diethyl-2-naphthalen-1-yloxypropanamide @en
type: Concept
pubchem: 27189
formula: C17H21NO2
inchikey: WXZVAROIGSFCFJ-UHFFFAOYSA-N
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
type: ChemicalSubstance
smiles: CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: nappAd
broader: CHEMONTID_0000023
cas number: 15299-99-7

aldicarb
type: ChemicalCompound
pubchem: 9570071
iupac name: [(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate @en
broader: CHEMONTID_0002285
inchi: InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
formula: C7H14N2O2S
cas number: 116-06-3
type: ChemicalSubstance
notation: alDcb
type: Concept
smiles: CC(C)(C=NOC(=O)NC)SC
in scheme: Conceptschema Chemische Stoffen
inchikey: QGLZXHRNAYXIBU-WEVVVXLNSA-N

fenobarbital
notation: fenbbtl
smiles: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
type: Concept
type: ChemicalCompound
iupac name: 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione @en
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)
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 4763
cas number: 50-06-6
inchikey: DDBREPKUVSBGFI-UHFFFAOYSA-N
cas number: 46755-67-3
cas number: 11097-06-6
broader: CHEMONTID_0000292

methyloxydemeton
notation: C1yOxdmtn
pubchem: 4618
alternative label: oxydemeton-methyl
type: Concept
iupac name: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane @en
formula: C6H15O4PS2
cas number: 301-12-2
type: ChemicalCompound
type: ChemicalSubstance
inchikey: PMCVMORKVPSKHZ-UHFFFAOYSA-N
inchi: InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3
smiles: CCS(=O)CCSP(=O)(OC)OC
broader: CHEMONTID_0000491
in scheme: Conceptschema Chemische Stoffen

dikalium endothall
type: ChemicalCompound
notation: DKedtl
type: ChemicalSubstance
cas number: 2164-07-0
pubchem: 62431
inchikey: ZPZKADHMBHMAES-UHFFFAOYSA-L
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
type: Concept
smiles: C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[K+].[K+]
iupac name: dipotassium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000346

sulfathiazole
cas number: 158269-46-6
type: Concept
type: ChemicalCompound
pubchem: 5340
formula: C9H9N3O2S2
in scheme: Conceptschema Chemische Stoffen
cas number: 6052-33-1
type: ChemicalSubstance
iupac name: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide @en
smiles: C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2
broader: CHEMONTID_0001925
inchikey: JNMRHUJNCSQMMB-UHFFFAOYSA-N
cas number: 72-14-0
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)

fenpiclonil
formula: C11H6Cl2N2
cas number: 74738-17-3
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
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N
type: ChemicalCompound
broader: CHEMONTID_0002334
inchikey: FKLFBQCQQYDUAM-UHFFFAOYSA-N
pubchem: 91724
notation: fenpcnl

3-methylpyrazol
type: ChemicalCompound
iupac name: 3-methyl-2H-pyrazole @en
inchikey: XKVUYEYANWFIJX-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 1453-58-3
notation: 3C1yprzl
smiles: CC1=CC=NN1
pubchem: 15073
cas number: 88054-14-2
inchi: InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
formula: C4H6N2
type: Concept
broader: CHEMONTID_0000087
type: ChemicalSubstance

2,4,6-trimethylpyridine
type: ChemicalSubstance
cas number: 108-75-8
formula: C8H11N
iupac name: 2,4,6-Trimethylpyridine @en
smiles: CC1=CC(=NC(=C1)C)C
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchikey: BWZVCCNYKMEVEX-UHFFFAOYSA-N
type: ChemicalCompound
inchi: InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3
pubchem: 7953
notation: 246TC1yprdne
broader: CHEMONTID_0004152

1-(2-methoxypropoxy)-2-propanol
iupac name: 1-(2-Methoxypropoxy)propan-2-ol @en
notation: 12C1oxC3ox2C
in scheme: Conceptschema Chemische Stoffen
cas number: 13429-07-7
type: ChemicalCompound
pubchem: 25982
type: Concept
broader: CHEMONTID_0001661
type: ChemicalSubstance
smiles: CC(COCC(C)OC)O
formula: C7H16O3
inchi: InChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3
cas number: 1321-21-7
inchikey: FOLPKOWCPVGUCA-UHFFFAOYSA-N

3,5,5-trimethyl-1-hexanol
cas number: 201404-81-1
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C9H20O
notation: 355TC1y1C6ol
type: ChemicalCompound
cas number: 3452-97-9
smiles: CC(CCO)CC(C)(C)C
pubchem: 18938
iupac name: 3,5,5-Trimethylhexan-1-ol @en
cas number: 140237-16-7
inchi: InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
broader: CHEMONTID_0001334
inchikey: BODRLKRKPXBDBN-UHFFFAOYSA-N

PCB 105
iupac name: 1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene @en
type: ChemicalCompound
cas number: 32598-14-4
type: ChemicalSubstance
comment: VLAR III (D3) 'dioxineachtige PCB's'
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
broader: CHEMONTID_0003030
alternative label: 2,3,3',4,4'-pentachloorbifenyl (pcb105)
alternative label: 2,3,3',4,4'-pentachloorbifenyl
is referenced by: LUC VI 002
formula: C12H5Cl5
type: Concept
pubchem: 36188
in scheme: Conceptschema Chemische Stoffen
notation: PCB105
alternative label: pcb 105
inchikey: WIDHRBRBACOVOY-UHFFFAOYSA-N

spiromesifen
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalSubstance
pubchem: 9907412
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
inchikey: GOLXNESZZPUPJE-UHFFFAOYSA-N
type: ChemicalCompound
formula: C23H30O4
broader: CHEMONTID_0000324
cas number: 283594-90-1
iupac name: [2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate @en
notation: spirmsfn

sulfiet
type: Concept
cas number: 14265-45-3
pubchem: 1099
formula: O3S-2
inchi: InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
smiles: [O-]S(=O)[O-]
notation: SO3-2
type: ChemicalSubstance
broader: CHEMONTID_0001078
type: ChemicalCompound
iupac name: sulfite @en
in scheme: Conceptschema Chemische Stoffen
inchikey: LSNNMFCWUKXFEE-UHFFFAOYSA-L

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

clenbuterol
in scheme: Conceptschema Chemische Stoffen
inchikey: STJMRWALKKWQGH-UHFFFAOYSA-N
iupac name: 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol @en
formula: C12H18Cl2N2O
type: ChemicalSubstance
smiles: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
cas number: 37148-27-9
type: Concept
cas number: 50306-03-1
broader: CHEMONTID_0002564
cas number: 50499-60-0
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
pubchem: 2783
type: ChemicalCompound
notation: clenbtrl

zolpidem
notation: zolpdm
type: Concept
type: ChemicalCompound
iupac name: N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[3,2-a]pyridin-3-yl]acetamide @en
broader: CHEMONTID_0002327
pubchem: 5732
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
formula: C19H21N3O
cas number: 82626-48-0
inchikey: ZAFYATHCZYHLPB-UHFFFAOYSA-N
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

thiodicarb
type: Concept
type: ChemicalSubstance
type: ChemicalCompound
cas number: 78876-59-2
smiles: CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC
pubchem: 9601227
cas number: 72424-66-9
cas number: 65154-62-3
inchikey: XDOTVMNBCQVZKG-MKICQXMISA-N
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000364
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+
cas number: 59669-26-0
iupac name: (1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamate @en
notation: toDcb

2-ethylfenol
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
broader: CHEMONTID_0004647
cas number: 25429-37-2
type: ChemicalCompound
type: Concept
smiles: CCC1=CC=CC=C1O
iupac name: 2-Ethylphenol @en
cas number: 90-00-6
notation: 2C2yFol
type: ChemicalSubstance
formula: C8H10O
pubchem: 6997
inchikey: IXQGCWUGDFDQMF-UHFFFAOYSA-N

fenpyroximaat
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: tert-butyl 4-[[[1,3-dimethyl-5-(phenoxy)pyrazol-4-yl]methylideneamino]oxymethyl]benzoate @en
type: ChemicalSubstance
cas number: 134098-61-6
broader: CHEMONTID_0002463
formula: C24H27N3O4
inchikey: YYJNOYZRYGDPNH-MFKUBSTISA-N
notation: fenprxmt
pubchem: 9576412
cas number: 111812-58-9
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+
type: Concept

1-chloor-1,2,2-trifluoretheen
cas number: 58339-48-3
pubchem: 6594
iupac name: 1-chloro-1,2,2-trifluoroethene @en
cas number: 8045-75-8
type: ChemicalSubstance
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
broader: CHEMONTID_0002861
cas number: 52932-38-4
smiles: C(=C(F)Cl)(F)F
cas number: 39403-94-6
cas number: 57176-52-0
type: Concept
cas number: 79-38-9
cas number: 9002-83-9
inchi: InChI=1S/C2ClF3/c3-1(4)2(5)6
cas number: 52683-04-2
formula: C2ClF3
cas number: 39475-51-9
type: ChemicalCompound
cas number: 52350-38-6
notation: CFK1113
inchikey: UUAGAQFQZIEFAH-UHFFFAOYSA-N
cas number: 58339-57-4
cas number: 9036-80-0
cas number: 58339-65-4
cas number: 69494-42-4
cas number: 59889-02-0
in scheme: Conceptschema Chemische Stoffen
cas number: 84842-77-3

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

fenofibraat
type: ChemicalCompound
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
broader: CHEMONTID_0000120
notation: fenfbt
cas number: 49562-28-9
iupac name: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate @en
pubchem: 3339
formula: C20H21ClO4
in scheme: Conceptschema Chemische Stoffen
inchikey: YMTINGFKWWXKFG-UHFFFAOYSA-N
type: Concept
type: ChemicalSubstance

trans-9,12-octadecadieenzuur
smiles: CCCCCC=CCC=CCCCCCCCC(=O)O
cas number: 506-21-8
broader: CHEMONTID_0000504
cas number: 8024-22-4
type: Concept
pubchem: 5280450
notation: t912C18aDzr
cas number: 2197-37-7
iupac name: (9Z,12Z)-octadeca-9,12-dienoic acid @en
formula: C18H32O2
notation: linzr
cas number: 60-33-3
cas number: 80969-37-5
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-
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchikey: OYHQOLUKZRVURQ-HZJYTTRNSA-N
alternative label: linolzuur
cas number: 17966-12-0

furazolidon
cas number: 8027-73-4
type: ChemicalCompound
smiles: C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]
iupac name: 3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one @en
type: Concept
inchikey: PLHJDBGFXBMTGZ-WEVVVXLNSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 8023-25-4
cas number: 67-45-8
notation: furzldn
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+
pubchem: 5323714
broader: CHEMONTID_0000194
formula: C8H7N3O5

beryllium 7
formula: Be
type: ChemicalCompound
cas number: 13966-02-4
in scheme: Conceptschema Chemische Stoffen
notation: Be7
type: Concept
smiles: [Be]
inchi: InChI=1S/Be/i1-2
type: ChemicalSubstance
iupac name: beryllium-7 @en
inchikey: ATBAMAFKBVZNFJ-YPZZEJLDSA-N
broader: CHEMONTID_0000428
pubchem: 6335489

monochloorpentafluorethaan
iupac name: 1-Chloro-1,1,2,2,2-pentafluoroethane @en
notation: CFK115
type: Concept
cas number: 12770-91-1
type: ChemicalSubstance
broader: CHEMONTID_0004521
pubchem: 6430
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8
cas number: 76-15-3
inchikey: RFCAUADVODFSLZ-UHFFFAOYSA-N
formula: C2ClF5
type: ChemicalCompound
smiles: C(C(F)(F)Cl)(F)(F)F

nuarimol
type: Concept
formula: C17H12ClFN2O
inchikey: SAPGTCDSBGMXCD-UHFFFAOYSA-N
cas number: 75872-04-7
notation: nuarml
pubchem: 91683
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000369
cas number: 109023-55-4
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
type: ChemicalCompound
cas number: 63284-71-9
type: ChemicalSubstance

amidotrizoïnezuur
pubchem: 2140
cas number: 117-96-4
notation: amdTzinzr
type: ChemicalCompound
broader: CHEMONTID_0003097
inchikey: YVPYQUNUQOZFHG-UHFFFAOYSA-N
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)
formula: C11H9I3N2O4
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: 3,5-Diacetamido-2,4,6-triiodobenzoic acid @en

4-dimethylaminosulfotoluidide
notation: DMST
broader: CHEMONTID_0000038
iupac name: 1-(dimethylsulfamoylamino)-4-methylbenzene @en
inchi: InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3
cas number: 66840-71-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 738302
formula: C9H14N2O2S
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
inchikey: UDCDOJQOXWCCSD-UHFFFAOYSA-N
smiles: CC1=CC=C(C=C1)NS(=O)(=O)N(C)C

yttrium
type: ChemicalSubstance
cas number: 27151-36-6
inchikey: VWQVUPCCIRVNHF-UHFFFAOYSA-N
smiles: [Y]
inchi: InChI=1S/Y
cas number: 7440-65-5
broader: CHEMONTID_0000426
pubchem: 23993
type: ChemicalCompound
notation: Y
formula: Y
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: YTTRIUM @en
cas number: 110123-45-0

2-methyl-2-butanol
iupac name: 2-Methylbutan-2-ol @en
notation: 2C1y2C4ol
type: Concept
broader: CHEMONTID_0001670
formula: C5H12O
type: ChemicalSubstance
inchikey: MSXVEPNJUHWQHW-UHFFFAOYSA-N
cas number: 75-85-4
in scheme: Conceptschema Chemische Stoffen
smiles: CCC(C)(C)O
inchi: InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
type: ChemicalCompound
pubchem: 6405

C14-C18 en C16-C18 onverzadigd alkylamine-ethoxylaat
pubchem: 6437490
smiles: CCOCCCCCCC=CCCCCCCCCN
broader: CHEMONTID_0001167
type: Concept
type: ChemicalCompound
formula: C18H37NO
inchikey: OOBSUSUFVSSVFU-GQCTYLIASA-N
iupac name: (E)-16-ethoxyhexadec-9-en-1-amine @en
cas number: 68155-39-5
notation: C14C18C16C18
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
alternative label: c14-c18 en c16-c18 onverzadigd alkylamine-ethoxylaat

2,4-dichlooraniline
type: Concept
inchikey: KQCMTOWTPBNWDB-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1Cl)Cl)N
inchi: InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
notation: 24DClAn
pubchem: 11123
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,4-Dichloroaniline @en
formula: C6H5Cl2N
broader: CHEMONTID_0002564
type: ChemicalSubstance
type: ChemicalCompound
cas number: 554-00-7

1,4-diaminobenzeen
notation: 14DAoBen
cas number: 106-50-3
inchi: InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
broader: CHEMONTID_0000284
formula: C6H8N2
iupac name: benzene-1,4-diamine @en
smiles: C1=CC(=CC=C1N)N
pubchem: 7814
cas number: 56481-76-6
type: Concept
inchikey: CBCKQZAAMUWICA-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

flutamide
type: ChemicalSubstance
type: Concept
formula: C11H11F3N2O3
cas number: 13311-84-7
pubchem: 3397
notation: flutmde
iupac name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide @en
type: ChemicalCompound
cas number: 37209-54-4
smiles: CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
inchikey: MKXKFYHWDHIYRV-UHFFFAOYSA-N
cas number: 337962-98-8
in scheme: Conceptschema Chemische Stoffen
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)
broader: CHEMONTID_0004551

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

nodularin
type: Concept
notation: nodlrn
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
type: ChemicalCompound
type: ChemicalSubstance
cas number: 118399-22-7
broader: CHEMONTID_0004831
formula: C41H60N8O10
in scheme: Conceptschema Chemische Stoffen
inchikey: IXBQSRWSVIBXNC-ANPQUZCZSA-N
pubchem: 6437077
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+

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

gentamycine
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
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
pubchem: 3467
type: ChemicalSubstance
notation: gentmcne
type: ChemicalCompound
cas number: 1403-66-3
broader: CHEMONTID_0001675
inchikey: CEAZRRDELHUEMR-UHFFFAOYSA-N

kalium
broader: CHEMONTID:0000425
type: ChemicalCompound
formula: K
cas number: 7440-09-07
inchi: InChI=1S/K
iupac name: potassium @en
type: Concept
smiles: [K]
pubchem: 5462222
notation: K
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchikey: ZLMJMSJWJFRBEC-UHFFFAOYSA-N

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

cumeen hydroperoxide
broader: CHEMONTID_0002811
type: ChemicalCompound
smiles: CC(C)(C1=CC=CC=C1)OO
notation: cumHpO
in scheme: Conceptschema Chemische Stoffen
inchikey: YQHLDYVWEZKEOX-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept
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
cas number: 80-15-9
pubchem: 6629
formula: C9H12O2
cas number: 79568-78-8

2-(2-(4-nonylfenoxy)ethoxy)ethanol
inchikey: BLXVTZPGEOGTGG-UHFFFAOYSA-N
iupac name: 2-[2-(4-Nonylphenoxy)ethoxy]ethanol @en
cas number: 9016-45-9
type: Concept
formula: C19H32O3
notation: NPEO1
in scheme: Conceptschema Chemische Stoffen
cas number: 20427-84-3
broader: CHEMONTID_0002341
alternative label: nonylfenolmonoethoxylaat
smiles: CCCCCCCCCC1=CC=C(C=C1)OCCOCCO
notation: 224C9yfOxC2o
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 24773
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

octamethyltetrasiloxaan
cas number: 1000-05-1
pubchem: 6328651
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,1,3,3,5,5,7,7-Octamethyltetrasiloxane @en
inchikey: ILBWBNOBGCYGSU-UHFFFAOYSA-N
notation: OcC1yT4slxn
type: ChemicalSubstance
formula: C8H24O3Si4
inchi: InChI=1S/C8H24O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h1-8H3
type: ChemicalCompound
smiles: C[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C
broader: CHEMONTID_0004446
type: Concept

cyhexatin
type: ChemicalCompound
smiles: C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O
inchikey: UGCNRZFAUBJVPT-UHFFFAOYSA-N
type: Concept
pubchem: 6327054
cas number: 13121-70-5
iupac name: tricyclohexyltin hydrate @en
in scheme: Conceptschema Chemische Stoffen
formula: C18H35OSn
notation: cyhxtn
broader: CHEMONTID_0003940
type: ChemicalSubstance
inchi: InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;

isoprocarb
iupac name: (2-propan-2-ylphenyl) N-methylcarbamate @en
notation: ipcb
pubchem: 17517
cas number: 2631-40-5
in scheme: Conceptschema Chemische Stoffen
inchikey: QBSJMKIUCUGGNG-UHFFFAOYSA-N
type: Concept
formula: C11H15NO2
type: ChemicalSubstance
smiles: CC(C)C1=CC=CC=C1OC(=O)NC
type: ChemicalCompound
broader: CHEMONTID_0000355
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)

rosiglitazon
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)
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
formula: C18H19N3O3S
inchikey: YASAKCUCGLMORW-UHFFFAOYSA-N
pubchem: 77999
type: ChemicalSubstance
iupac name: 5-[[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione @en
cas number: 122320-73-4
notation: rosgtzn
broader: CHEMONTID_0002341

tridecaanzuur
in scheme: Conceptschema Chemische Stoffen
inchikey: SZHOJFHSIKHZHA-UHFFFAOYSA-N
iupac name: Tridecanoic acid @en
pubchem: 12530
notation: C13azr
type: ChemicalSubstance
type: Concept
cas number: 638-53-9
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)
smiles: CCCCCCCCCCCCC(=O)O
formula: C13H26O2
broader: CHEMONTID_0002949
type: ChemicalCompound
cas number: 68002-90-4

1,7-dimethylxanthine
type: ChemicalSubstance
smiles: CN1C=NC2=C1C(=O)N(C(=O)N2)C
type: ChemicalCompound
inchikey: QUNWUDVFRNGTCO-UHFFFAOYSA-N
formula: C7H8N4O2
iupac name: 1,7-dimethyl-3H-purine-2,6-dione @en
broader: CHEMONTID_0000247
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 611-59-6
pubchem: 4687
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)
notation: 17DC1yxtne

2,5-dimethylfenol
notation: 25DC1yFol
type: ChemicalSubstance
inchi: InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 2,5-Dimethylphenol @en
formula: C8H10O
smiles: CC1=CC(=C(C=C1)C)O
inchikey: NKTOLZVEWDHZMU-UHFFFAOYSA-N
broader: CHEMONTID_0004215
cas number: 145929-31-3
pubchem: 7267
cas number: 50356-12-2
cas number: 95-87-4
type: Concept

arseen
cas number: 7784-42-1
is referenced by: LUC I 002
cas number: 39277-51-5
in scheme: Conceptschema Chemische Stoffen
comment: VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'
definition: arseen en arseenverbindingen, uitgedrukt als arseen (As)
comment: VLAR (D2) 'arseen'
type: Concept
pubchem: 5359596
formula: As
comment: VLAR III (D3, diverse art) 'As'
is referenced by: LUC III 010
notation: As
broader: CHEMONTID_0000431
comment: VLAR III (D3) 'AsH3'
cas number: 7440-38-2
alternative label: arseen (As)
comment: VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'
iupac name: Arsenic @en
type: ChemicalSubstance
type: ChemicalCompound
cas number: 55624-62-9
inchikey: RQNWIZPPADIBDY-UHFFFAOYSA-N
inchi: InChI=1S/As
comment: VLAR bijl. II 2.5.8 'arseen'
smiles: [As]
comment: VLAREM II bijlage 4.4.2
comment: VLAR III (D3) 'Arseen en de verbindingen daarvan, uitgedrukt als arseen (As)'

1,3,5-tribroom-2-(2,3-dibroom-2-methylpropoxy)benzeen
in scheme: Conceptschema Chemische Stoffen
cas number: 36065-30-2
smiles: CC(COC1=C(C=C(C=C1Br)Br)Br)(CBr)Br
type: Concept
notation: 135TBr223DBr
pubchem: 118274
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
formula: C10H9Br5O
type: ChemicalCompound
iupac name: 1,3,5-Tribromo-2-(2,3-dibromo-2-methylpropoxy)benzene @en
inchikey: WNMLTOIDDCEBNY-UHFFFAOYSA-N
broader: CHEMONTID_0002341
type: ChemicalSubstance

diclofenac, natrium
formula: C14H10Cl2NNaO2
inchikey: KPHWPUGNDIVLNH-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+]
type: ChemicalSubstance
type: ChemicalCompound
iupac name: sodium 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate @en
cas number: 15307-79-6
type: Concept
pubchem: 27194
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

aluminiumsulfaat
inchikey: GRLPQNLYRHEGIJ-UHFFFAOYSA-J
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
cas number: 10043-01-3
cas number: 131315-49-6
cas number: 10043-67-1
type: Concept
smiles: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+]
pubchem: 24856
formula: AlKO8S2
type: ChemicalCompound
notation: AlSO4
in scheme: Conceptschema Chemische Stoffen
iupac name: Aluminum potassium disulfate @en
type: ChemicalSubstance

candesartan
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
notation: candstn
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)
in scheme: Conceptschema Chemische Stoffen
cas number: 139481-59-7
broader: CHEMONTID_0000041
inchikey: HTQMVQVXFRQIKW-UHFFFAOYSA-N
iupac name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid @en
pubchem: 2541
formula: C24H20N6O3

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

bis(2-chloorethoxy)methaan
smiles: C(CCl)OCOCCCl
broader: CHEMONTID_0001656
cas number: 111-91-1
in scheme: Conceptschema Chemische Stoffen
formula: C5H10Cl2O2
iupac name: 1-chloro-2-(2-chloroethoxymethoxy)ethane @en
notation: bis2ClC2oxC1
pubchem: 8147
inchi: InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
inchikey: NLXGURFLBLRZRO-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept
type: ChemicalCompound

trichostatin A
inchikey: RTKIYFITIVXBLE-WKWSCTOISA-N
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+
pubchem: 6376322
formula: C17H22N2O3
type: ChemicalCompound
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
cas number: 58880-19-6
type: ChemicalSubstance
notation: TcstnA
alternative label: trichostatin a
broader: CHEMONTID_0004298
in scheme: Conceptschema Chemische Stoffen
type: Concept

ketoconazol
formula: C26H28Cl2N4O4
pubchem: 47576
cas number: 65277-42-1
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
type: ChemicalCompound
broader: CHEMONTID_0001984
inchikey: XMAYWYJOQHXEEK-ZEQKJWHPSA-N
type: ChemicalSubstance

crufomaat
notation: crfmt
inchikey: BOFHKBLZOYVHSI-UHFFFAOYSA-N
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)
type: ChemicalSubstance
iupac name: N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine @en
smiles: CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl
cas number: 299-86-5
type: ChemicalCompound
formula: C12H19ClNO3P
type: Concept
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002811
pubchem: 9300

2,3,3',4,5-pentachloorbifenyl
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
broader: CHEMONTID_0003030
inchikey: BQENMISTWGTJIJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 51075
cas number: 70424-69-0
type: ChemicalSubstance
formula: C12H5Cl5
notation: PCB107
iupac name: 1,2,3,4-tetrachloro-5-(3-chlorophenyl)benzene @en
type: Concept

hexakis(methoxymethyl)melamine
cas number: 11098-24-1
iupac name: N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine @en
cas number: 66565-50-2
notation: HxkC1oxC1yml
type: ChemicalCompound
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
broader: CHEMONTID_0003901
cas number: 174805-33-5
inchikey: BNCADMBVWNPPIZ-UHFFFAOYSA-N
cas number: 3089-11-0
formula: C15H30N6O6
cas number: 37331-82-1
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 62479

scandium 46
inchikey: SIXSYDAISGFNSX-OUBTZVSYSA-N
cas number: 13967-63-0
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: scandium-46 @en
pubchem: 107673
type: ChemicalSubstance
formula: Sc
notation: Sc46
inchi: InChI=1S/Sc/i1+1
type: Concept
broader: CHEMONTID_0000426
smiles: [Sc]

4-nitrofenol
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
formula: C6H5NO3
iupac name: 4-Nitrophenol @en
inchikey: BTJIUGUIPKRLHP-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0000141
smiles: C1=CC(=CC=C1[N+](=O)[O-])O
pubchem: 980
inchi: InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
cas number: 100-02-7
notation: 4NO2Fol

hydrochloorthiazide
inchikey: JZUFKLXOESDKRF-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide @en
formula: C7H8ClN3O4S2
broader: CHEMONTID_0004292
cas number: 58-93-5
notation: HCltazde
cas number: 8049-49-8
in scheme: Conceptschema Chemische Stoffen
cas number: 125727-50-6
type: ChemicalCompound
pubchem: 3639
type: Concept
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)

ancymidol
pubchem: 25572
type: ChemicalCompound
inchikey: HUTDUHSNJYTCAR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
cas number: 51025-96-8
broader: CHEMONTID_0000138
type: Concept
cas number: 33712-16-2
cas number: 50642-61-0
smiles: COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O
cas number: 12771-68-5
formula: C15H16N2O2
notation: ancmdl
iupac name: cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol @en

11‐chloroeicosafluoro‐3‐oxaundecane‐1‐sulfonzuur
type: Concept
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)
type: ChemicalCompound
formula: C10HClF20O4S
broader: CHEMONTID_0001179
inchikey: SZVGIJOITCPDPM-UHFFFAOYSA-N
cas number: 763051-92-9
pubchem: 15099039
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
type: ChemicalSubstance
notation: 11Cl‐PF3OUnDS
in scheme: Conceptschema Chemische Stoffen

kalium, eenwaardig
pubchem: 813
in scheme: Conceptschema Chemische Stoffen
formula: K+
cas number: 7440-09-7
type: ChemicalCompound
inchi: InChI=1S/K/q+1
type: Concept
cas number: 24203-36-9
alternative label: kalium
smiles: [K+]
iupac name: potassium(+1) cation @en
type: ChemicalSubstance
notation: K
inchikey: NPYPAHLBTDXSSS-UHFFFAOYSA-N
broader: CHEMONTID_0000425

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

2-chloorpropaan
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC IV 011
inchikey: ULYZAYCEDJDHCC-UHFFFAOYSA-N
comment: VLAR II bijl. 4.4.2
iupac name: 2-CHLOROPROPANE @en
smiles: CC(C)Cl
pubchem: 6361
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0001516
is referenced by: LUC IV 002
cas number: 75-29-6
is referenced by: LUC IV 000
notation: 2ClC3a
formula: C3H7Cl
inchi: InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3
type: ChemicalCompound

1,3-propyleendiaminetatraazijnzuur
iupac name: 2-[3-(bis(carboxymethyl)amino)propyl-(carboxymethyl)amino]acetic acid @en
inchikey: DMQQXDPCRUGSQB-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 80296
cas number: 161122-34-5
cas number: 1939-36-2
broader: CHEMONTID_0002966
in scheme: Conceptschema Chemische Stoffen
smiles: C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O
type: Concept
notation: 13C3yeDAeT4H
formula: C11H18N2O8
type: ChemicalSubstance
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)

tetracosaan
pubchem: 12592
type: ChemicalCompound
type: Concept
notation: C24a
broader: CHEMONTID_0002500
in scheme: Conceptschema Chemische Stoffen
cas number: 646-31-1
iupac name: Tetracosane @en
inchikey: POOSGDOYLQNASK-UHFFFAOYSA-N
formula: C24H50
type: ChemicalSubstance
smiles: CCCCCCCCCCCCCCCCCCCCCCCC

alfa-hydroxytolueen
broader: CHEMONTID_0000033
type: ChemicalCompound
cas number: 185532-71-2
inchi: InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
in scheme: Conceptschema Chemische Stoffen
cas number: 1336-27-2
inchikey: WVDDGKGOMKODPV-UHFFFAOYSA-N
notation: aHOxTol
pubchem: 244
type: Concept
cas number: 100-51-6
type: ChemicalSubstance
formula: C7H8O
smiles: C1=CC=C(C=C1)CO
iupac name: phenylmethanol @en

ammoniak
cas number: 208990-07-2
smiles: N
inchi: InChI=1S/H3N/h1H3
comment: VLAR III (D3, diverse art) 'ammoniak'
notation: NH3
formula: H3N
cas number: 8007-57-6
in scheme: Conceptschema Chemische Stoffen
cas number: 13774-92-0
type: ChemicalSubstance
cas number: 15194-15-7
cas number: 7664-41-7
iupac name: ['$l^{1}-azane', 'azane'] @en
type: ChemicalCompound
type: Concept
inchikey: QGZKDVFQNNGYKY-UHFFFAOYSA-N
is referenced by: LUC III 003
cas number: 214478-05-4
broader: CHEMONTID_0000434
comment: VLAR II (D2/D5) 'ammoniak' en 'ammoniak (NH3)' en 'NH3'
pubchem: 222
alternative label: ammoniak (NH3)
comment: VLAR III (D3, diverse art) 'NH3'
cas number: 17778-88-0

triamcinolonehexacetonide
inchikey: TZIZWYVVGLXXFV-FLRHRWPCSA-N
type: ChemicalSubstance
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
type: ChemicalCompound
formula: C30H41FO7
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0001468
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
cas number: 5611-51-8
notation: TacnlnHxactn
type: Concept

3-amino-2,5-dichloor-benzoezuur
type: ChemicalSubstance
inchikey: HSSBORCLYSCBJR-UHFFFAOYSA-N
pubchem: 8630
smiles: C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl
broader: CHEMONTID_0002611
formula: C7H5Cl2NO2
iupac name: 3-Amino-2,5-dichlorobenzoic acid @en
type: ChemicalCompound
type: Concept
notation: 3Ao25DClbzez
inchi: InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
cas number: 133-90-4
in scheme: Conceptschema Chemische Stoffen

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

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

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

trimethylhydrazine
in scheme: Conceptschema Chemische Stoffen
cas number: 1741-01-1
type: ChemicalSubstance
inchi: InChI=1S/C3H10N2/c1-4-5(2)3/h4H,1-3H3
smiles: CNN(C)C
iupac name: 1,1,2-trimethylhydrazine @en
broader: CHEMONTID_0004511
type: ChemicalCompound
formula: C3H10N2
pubchem: 43369
inchikey: NIIPNAJXERMYOG-UHFFFAOYSA-N
notation: TC1yhdzne
type: Concept

clopyralid
formula: C6H3Cl2NO2
type: ChemicalSubstance
inchikey: HUBANNPOLNYSAD-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 1702-17-6
pubchem: 15553
inchi: InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
broader: CHEMONTID_0002414
smiles: C1=CC(=NC(=C1Cl)C(=O)O)Cl
type: Concept
notation: cloprld
iupac name: 3,6-Dichloropyridine-2-carboxylic acid @en
type: ChemicalCompound

ammonium
is referenced by: WAC III E 022
is referenced by: CMA 2 I E.2
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/H3N/h1H3/p+1
cas number: 14158-23-7
is referenced by: CMA 2 I E.1
is referenced by: WAC III E 021
type: ChemicalSubstance
pubchem: 223
iupac name: ['azanium', 'nitrogen(+1) dihydride cation'] @en
type: ChemicalCompound
is referenced by: WAC IV A 003
formula: H4N+
is referenced by: LUC VII 001
is referenced by: CMA 2 I E.4
is referenced by: WAC III E 023
broader: CHEMONTID_0000434
is referenced by: CMA 2 II A.16
cas number: 6684-80-6
inchikey: QGZKDVFQNNGYKY-UHFFFAOYSA-O
cas number: 14798-03-9
is referenced by: WAC III D 030
is referenced by: CMA 2 I E
is referenced by: CMA 2 I C.8
is referenced by: WAC V B 003
smiles: [NH4+]
type: Concept
is referenced by: WAC III E 020
notation: NH4
is referenced by: LUC III 003

triethyleenglycol dimethacrylaat
type: ChemicalSubstance
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
notation: TC2yegclDmtc
iupac name: 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate @en
cas number: 107869-00-1
cas number: 120415-48-7
inchikey: HWSSEYVMGDIFMH-UHFFFAOYSA-N
type: ChemicalCompound
type: Concept
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
cas number: 184845-37-2
in scheme: Conceptschema Chemische Stoffen
pubchem: 7979
cas number: 37291-80-8
broader: CHEMONTID_0000346
smiles: CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C
cas number: 109-16-0
formula: C14H22O6

zink
pubchem: 23994
cas number: 12793-53-2
cas number: 195161-85-4
type: ChemicalCompound
cas number: 15176-26-8
inchikey: HCHKCACWOHOZIP-UHFFFAOYSA-N
notation: Zn
type: ChemicalSubstance
cas number: 7440-66-6
smiles: [Zn]
cas number: 19229-95-9
iupac name: Zinc @en
inchi: InChI=1S/Zn
broader: CHEMONTID_0000426
formula: Zn
cas number: 199281-21-5
type: Concept
in scheme: Conceptschema Chemische Stoffen

perfluor-n-butaansulfonzuur (pfbs)
broader: CHEMONTID_0003961
alternative label: perfluorbutaansulfonzuur
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)
alternative label: perfluorbutaansulfonzuur (pfbs)
inchikey: JGTNAGYHADQMCM-UHFFFAOYSA-N
type: Concept
pubchem: 67815
iupac name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid @en
alternative label: perfluor-n-butaansulfonzuur
notation: L_PFBS
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 59933-66-3
formula: C4HF9O3S
cas number: 375-73-5
notation: PFBS
type: ChemicalSubstance

3,5-dichloorbifenyl
notation: PCB14
inchi: InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H
broader: CHEMONTID_0003030
cas number: 34883-41-5
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,3-dichloro-5-phenylbenzene @en
formula: C12H8Cl2
smiles: C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl
type: ChemicalCompound
inchikey: QHZSDTDMQZPUKC-UHFFFAOYSA-N
type: Concept
pubchem: 36981
type: ChemicalSubstance

didodecylftalaat
notation: DC12yFt
inchikey: PUFGCEQWYLJYNJ-UHFFFAOYSA-N
broader: CHEMONTID_0001350
cas number: 2432-90-8
pubchem: 17082
type: ChemicalCompound
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
formula: C32H54O4
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: didodecyl benzene-1,2-dicarboxylate @en
type: ChemicalSubstance

imidacloprid
cas number: 105827-78-9
type: ChemicalSubstance
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)
type: ChemicalCompound
formula: C9H10ClN5O2
in scheme: Conceptschema Chemische Stoffen
notation: imdcpd
cas number: 138261-41-3
type: Concept
smiles: C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl
pubchem: 86418
iupac name: N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide @en
broader: CHEMONTID_0004667
inchikey: YWTYJOPNNQFBPC-UHFFFAOYSA-N

doramectine
pubchem: 6436133
notation: dormtne
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
inchikey: QLFZZSKTJWDQOS-NJPOTTGESA-N
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0000147
cas number: 117704-25-3
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
formula: C50H74O14

(R)-1-fenylethanol
alternative label: (r)-1-fenylethanol
smiles: CC(C1=CC=CC=C1)O
inchi: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
cas number: 98-85-1
iupac name: 1-Phenylethanol @en
broader: CHEMONTID_0002279
pubchem: 7409
formula: C8H10O
cas number: 1517-69-7
type: ChemicalCompound
inchikey: WAPNOHKVXSQRPX-UHFFFAOYSA-N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
cas number: 13323-81-4
type: Concept
notation: R1FyC2ol

glycerine
in scheme: Conceptschema Chemische Stoffen
notation: glycrne
cas number: 75398-78-6
formula: C3H8O3
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
smiles: C(C(CO)O)O
cas number: 64333-26-2
cas number: 8043-29-6
type: ChemicalSubstance
inchikey: PEDCQBHIVMGVHV-UHFFFAOYSA-N
broader: CHEMONTID_0002210
type: Concept
iupac name: PROPANE-1,2,3-TRIOL @en
cas number: 56-81-5
type: ChemicalCompound
pubchem: 753
cas number: 29796-42-7
inchi: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
cas number: 175385-78-1

triclocarban
type: Concept
in scheme: Conceptschema Chemische Stoffen
pubchem: 7547
broader: CHEMONTID_0002564
inchikey: ICUTUKXCWQYESQ-UHFFFAOYSA-N
iupac name: 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea @en
cas number: 101-20-2
formula: C13H9Cl3N2O
type: ChemicalSubstance
notation: Tccbn
type: ChemicalCompound
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)

n(4)-acetylsulfadiazine
alternative label: N(4)-acetylsulfadiazine
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)
in scheme: Conceptschema Chemische Stoffen
pubchem: 64952
cas number: 127-74-2
formula: C12H12N4O3S
notation: N4actsfdazne
type: Concept
broader: CHEMONTID_0000031
type: ChemicalSubstance
iupac name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide @en
cas number: 5572-57-6
inchikey: NJIZUWGMNCUKGU-UHFFFAOYSA-N
type: ChemicalCompound

3-amino-1-propeen
broader: CHEMONTID_0000469
cas number: 71550-12-4
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
inchi: InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
notation: 3Ao1C3e
pubchem: 7853
iupac name: prop-2-en-1-amine @en
type: ChemicalSubstance
cas number: 107-11-9
inchikey: VVJKKWFAADXIJK-UHFFFAOYSA-N
formula: C3H7N
smiles: C=CCN
cas number: 30551-89-4

3,6-dimethyloctaan
smiles: CCC(C)CCC(C)CC
iupac name: 3,6-Dimethyloctane @en
notation: 36DC1yC8a
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: Concept
formula: C10H22
inchikey: JEEQUUSFXYRPRK-UHFFFAOYSA-N
broader: CHEMONTID_0004620
type: ChemicalSubstance
pubchem: 85927
cas number: 15869-94-0
inchi: InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3

3,4-dichloornitrobenzeen
type: ChemicalCompound
inchi: InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
type: ChemicalSubstance
type: Concept
pubchem: 7443
broader: CHEMONTID_0000036
cas number: 99-54-7
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2-Dichloro-4-nitrobenzene @en
inchikey: NTBYINQTYWZXLH-UHFFFAOYSA-N
formula: C6H3Cl2NO2
smiles: C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
notation: 34DClNO2Ben

N-propylaniline
smiles: CCCNC1=CC=CC=C1
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: CDZOGLJOFWFVOZ-UHFFFAOYSA-N
pubchem: 12153
notation: NC3yAn
formula: C9H13N
cas number: 622-80-0
type: Concept
inchi: InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
type: ChemicalSubstance
iupac name: N-PROPYLANILINE @en
broader: CHEMONTID_0003924
alternative label: n-propylaniline

triamcinolonacetonide
pubchem: 6436
broader: CHEMONTID_0003095
cas number: 13586-95-3
type: ChemicalSubstance
inchikey: YNDXUCZADRHECN-JNQJZLCISA-N
type: Concept
type: ChemicalCompound
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
cas number: 138265-06-2
formula: C24H31FO6
cas number: 8054-16-8
notation: Tacnlnactnde
cas number: 76-25-5
in scheme: Conceptschema Chemische Stoffen

1-methyl-2-pyrrolidinon
cas number: 53774-35-9
inchikey: SECXISVLQFMRJM-UHFFFAOYSA-N
formula: C5H9NO
type: Concept
alternative label: N-methylpyrrolidon
smiles: CN1CCCC1=O
type: ChemicalCompound
cas number: 57762-46-6
cas number: 51013-18-4
cas number: 30207-69-3
notation: 1C1y2prldnn
in scheme: Conceptschema Chemische Stoffen
cas number: 872-50-4
broader: CHEMONTID_0003449
cas number: 26138-58-9
comment: VLAREM II bijlage 4.4.2
pubchem: 13387
alternative label: n-methylpyrrolidon
iupac name: 1-methylpyrrolidin-2-one @en
type: ChemicalSubstance
inchi: InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3

meptyldinocap
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
iupac name: (2,4-dinitro-6-octylphenyl) (E)-but-2-enoate @en
cas number: 49794-90-3
type: ChemicalCompound
smiles: CCCCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC
pubchem: 6436020
formula: C18H24N2O6
inchikey: PMSYHBINVYHTNN-ONNFQVAWSA-N
notation: meptdncp
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+
type: Concept
broader: CHEMONTID_0002319
cas number: 131-72-6

2-ethyl-1-hexanol
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
inchi: InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
broader: CHEMONTID_0001334
cas number: 111675-57-1
formula: C8H18O
type: Concept
smiles: CCCCC(CC)CO
cas number: 704-76-7
notation: 2C2y1C6ol
cas number: 104-76-7
pubchem: 7720
type: ChemicalCompound
iupac name: 2-Ethylhexan-1-ol @en
inchikey: YIWUKEYIRIRTPP-UHFFFAOYSA-N

4-methylquinoline
type: ChemicalSubstance
broader: CHEMONTID_0001253
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 491-35-0
smiles: CC1=CC=NC2=CC=CC=C12
inchi: InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
notation: 4C1yqnlne
formula: C10H9N
pubchem: 10285
inchikey: MUDSDYNRBDKLGK-UHFFFAOYSA-N
iupac name: 4-Methylquinoline @en

2-chloor-4-methylaniline
inchi: InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: 2-Chloro-4-methylaniline @en
cas number: 615-65-6
pubchem: 12007
broader: CHEMONTID_0003964
inchikey: XGYLSRFSXKAYCR-UHFFFAOYSA-N
type: Concept
notation: 2Cl4C1yAn
formula: C7H8ClN
type: ChemicalSubstance
alternative label: 2-chloor-para-toluïdine
smiles: CC1=CC(=C(C=C1)N)Cl

3-chloorbifenyl
cas number: 2051-61-8
iupac name: 1-chloro-3-phenylbenzene @en
type: ChemicalCompound
pubchem: 16322
notation: PCB2
inchi: InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
type: Concept
broader: CHEMONTID_0000500
formula: C12H9Cl
type: ChemicalSubstance
inchikey: NMWSKOLWZZWHPL-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
in scheme: Conceptschema Chemische Stoffen

foramsulfuron
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004705
iupac name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-formamido-N,N-dimethylbenzamide @en
cas number: 173159-57-4
type: ChemicalSubstance
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)
type: Concept
formula: C17H20N6O7S
pubchem: 213014
inchikey: HICJAEZEEBOKGV-UHFFFAOYSA-N
notation: forasfrn

cefapirine
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
formula: C17H16N3NaO6S2
inchikey: VGEOUKPOQQEQSX-UHFFFAOYSA-M
type: ChemicalSubstance
cas number: 21593-23-7
type: Concept
pubchem: 32325
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0004411

penconazole
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
cas number: 87501-25-5
alternative label: penconazool
broader: CHEMONTID_0002564
type: ChemicalSubstance
type: Concept
pubchem: 91693
smiles: CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl
inchikey: WKBPZYKAUNRMKP-UHFFFAOYSA-N
formula: C13H15Cl2N3
type: ChemicalCompound
cas number: 66246-88-6
in scheme: Conceptschema Chemische Stoffen
notation: pencnzl
iupac name: 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole @en

dimethylsulfaat
type: ChemicalSubstance
comment: VLAREM II bijlage 4.4.2
broader: CHEMONTID_0001184
cas number: 98478-67-2
inchi: InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3
notation: DC1ySO4
cas number: 62086-97-9
cas number: 139443-72-4
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C2H6O4S
cas number: 77-78-1
inchikey: VAYGXNSJCAHWJZ-UHFFFAOYSA-N
iupac name: Dimethyl sulfate @en
smiles: COS(=O)(=O)OC
type: Concept
pubchem: 6497

caffeine
smiles: CN1C=NC2=C1C(=O)N(C(=O)N2C)C
type: ChemicalCompound
cas number: 95789-13-2
pubchem: 2519
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 58-08-2
notation: caffine
inchi: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
inchikey: RYYVLZVUVIJVGH-UHFFFAOYSA-N
formula: C8H10N4O2
broader: CHEMONTID_0000247
iupac name: 1,3,7-trimethylpurine-2,6-dione @en
cas number: 71701-02-5

heptaanzuur
inchi: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
iupac name: Heptanoic acid @en
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0003086
inchikey: MNWFXJYAOYHMED-UHFFFAOYSA-N
formula: C7H14O2
type: Concept
pubchem: 8094
cas number: 111-14-8
notation: C7azr
smiles: CCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen

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

bis(2-ethylhexyl)tereftalaat
type: ChemicalSubstance
notation: DEHTP
in scheme: Conceptschema Chemische Stoffen
pubchem: 22932
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
type: Concept
inchikey: RWPICVVBGZBXNA-UHFFFAOYSA-N
iupac name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate @en
cas number: 6422-86-2
cas number: 144981-82-8
type: ChemicalCompound
broader: CHEMONTID_0004012
formula: C24H38O4

tetramethylammoniumchloride
pubchem: 6379
inchi: InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
formula: C4H12ClN
cas number: 75-57-0
cas number: 79098-37-6
iupac name: tetramethylazanium chloride @en
in scheme: Conceptschema Chemische Stoffen
notation: T4C1yNH4Cl
inchikey: OKIZCWYLBDKLSU-UHFFFAOYSA-M
broader: CHEMONTID_0004225
type: ChemicalCompound
type: Concept
type: ChemicalSubstance
cas number: 51-92-3
smiles: C[N+](C)(C)C.[Cl-]

2-chloor-4-nitroaniline
broader: CHEMONTID_0000036
inchikey: LOCWBQIWHWIRGN-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
cas number: 121-87-9
iupac name: 2-Chloro-4-nitroaniline @en
type: Concept
formula: C6H5ClN2O2
pubchem: 8492
notation: 2Cl4NO2An
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
type: ChemicalSubstance

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

tripropylamine
type: Concept
cas number: 112488-51-4
type: ChemicalSubstance
broader: CHEMONTID_0002239
in scheme: Conceptschema Chemische Stoffen
inchikey: YFTHZRPMJXBUME-UHFFFAOYSA-N
cas number: 102-69-2
type: ChemicalCompound
notation: TC3yAe
inchi: InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
smiles: CCCN(CCC)CCC
formula: C9H21N
pubchem: 7616
iupac name: N,N-dipropylpropan-1-amine @en

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

2-butenal (cis en trans)
pubchem: 643950
smiles: CC=CC=O
cas number: 4170-30-3
inchikey: MLUCVPSAIODCQM-IHWYPQMZSA-N
formula: C4H6O
type: Concept
type: ChemicalSubstance
iupac name: (Z)-but-2-enal @en
inchi: InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-
notation: aclinC1y
broader: CHEMONTID_0002436
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen

2,4,6-tribroomfenol
type: Concept
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
cas number: 118-79-6
broader: CHEMONTID_0002769
formula: C6H3Br3O
pubchem: 1483
type: ChemicalCompound
type: ChemicalSubstance
notation: 246TBrFol
iupac name: 2,4,6-Tribromophenol @en
smiles: C1=C(C=C(C(=C1Br)O)Br)Br
inchikey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

titaan
cas number: 37246-36-9
cas number: 37301-57-8
inchi: InChI=1S/Ti
cas number: 37246-34-7
cas number: 14067-04-0
cas number: 57854-37-2
cas number: 7440-32-6
cas number: 11147-83-4
cas number: 195161-81-0
notation: Ti
cas number: 37333-92-9
cas number: 54319-51-6
inchikey: RTAQQCXQSZGOHL-UHFFFAOYSA-N
alternative label: titanium
pubchem: 23963
cas number: 12718-64-8
formula: Ti
in scheme: Conceptschema Chemische Stoffen
cas number: 67796-94-5
type: ChemicalSubstance
cas number: 53549-90-9
cas number: 182260-48-6
type: ChemicalCompound
smiles: [Ti]
cas number: 37269-05-9
cas number: 12794-00-2
type: Concept
cas number: 37261-68-0
broader: CHEMONTID_0000426
iupac name: TITANIUM @en
cas number: 62650-70-8
cas number: 37246-37-0

3,3',4,4'-tetrabroomdifenylether
formula: C12H6Br4
type: Concept
broader: CHEMONTID_0003954
pubchem: 107953
cas number: 77102-82-0
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
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
notation: PBDE77
smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)Br)Br)Br
type: ChemicalCompound
inchikey: BVGDXTYHVRFEQZ-UHFFFAOYSA-N

fullereen c70
formula: C70
type: Concept
type: ChemicalSubstance
alternative label: fullereen C70
broader: CHEMONTID_0000316
cas number: 115383-22-7
notation: fullrnC70
pubchem: 16131935
inchikey: ATLMFJTZZPOKLC-UHFFFAOYSA-N
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: (C70-D5h(6))[5,6]fullerene @en

diclofop-methyl
cas number: 75045-48-6
notation: DcfC1y
formula: C16H14Cl2O4
type: ChemicalCompound
pubchem: 39985
type: ChemicalSubstance
cas number: 51142-56-4
cas number: 51338-27-3
in scheme: Conceptschema Chemische Stoffen
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
broader: CHEMONTID_0004155
type: Concept
inchikey: BACHBFVBHLGWSL-UHFFFAOYSA-N
iupac name: methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate @en

jodixanol
formula: C35H44I6N6O15
notation: jodixnl
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004361
type: ChemicalCompound
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
inchikey: NBQNWMBBSKPBAY-UHFFFAOYSA-N
type: Concept
pubchem: 3724
cas number: 92339-11-2

2,4,6-trichlooraniline
inchikey: NATVSFWWYVJTAZ-UHFFFAOYSA-N
broader: CHEMONTID_0000284
iupac name: 2,4,6-Trichloroaniline @en
smiles: C1=C(C=C(C(=C1Cl)N)Cl)Cl
pubchem: 12471
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
in scheme: Conceptschema Chemische Stoffen
type: Concept
notation: 246TClAn
formula: C6H4Cl3N
cas number: 634-93-5

6-isopropyl-m-cresol
notation: 6iC3ymcsl
formula: C10H14O
cas number: 89-83-8
inchikey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
type: ChemicalSubstance
iupac name: 5-methyl-2-propan-2-ylphenol @en
inchi: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
smiles: CC1=CC(=C(C=C1)C(C)C)O
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000051
type: Concept
pubchem: 6989
type: ChemicalCompound

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

chlooraceton
notation: Clactn
pubchem: 6571
formula: C3H5ClO
smiles: CC(=O)CCl
type: Concept
type: ChemicalCompound
inchikey: BULLHNJGPPOUOX-UHFFFAOYSA-N
broader: CHEMONTID_0004809
inchi: InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
type: ChemicalSubstance
iupac name: 1-chloropropan-2-one @en
in scheme: Conceptschema Chemische Stoffen
cas number: 78-95-5

2,2'-methyliminodiethanol
type: Concept
formula: C5H13NO2
cas number: 511262-76-3
notation: 22C1yimnDC2o
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
broader: CHEMONTID_0001897
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
pubchem: 7767
smiles: CN(CCO)CCO
type: ChemicalSubstance
cas number: 105-59-9
inchikey: CRVGTESFCCXCTH-UHFFFAOYSA-N

2,6-dichloorbenzoezuur
type: ChemicalCompound
notation: 26DClbenzzr
smiles: C1=CC(=C(C(=C1)Cl)C(=O)O)Cl
inchikey: MRUDNSFOFOQZDA-UHFFFAOYSA-N
pubchem: 5758
cas number: 50-30-6
formula: C7H4Cl2O2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002611
type: Concept
iupac name: 2,6-Dichlorobenzoic acid @en
inchi: InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
type: ChemicalSubstance

benodanil
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
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)
type: ChemicalCompound
inchikey: LJOZMWRYMKECFF-UHFFFAOYSA-N
notation: benodnl
iupac name: 2-Iodo-N-phenylbenzamide @en
smiles: C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2I
broader: CHEMONTID_0004713
cas number: 15310-01-7
pubchem: 27195

osmium 185
in scheme: Conceptschema Chemische Stoffen
pubchem: 167423
inchikey: SYQBFIAQOQZEGI-FTXFMUIASA-N
notation: Os185
type: Concept
formula: Os
iupac name: osmium-185 @en
cas number: 15766-50-4
smiles: [Os]
type: ChemicalSubstance
broader: CHEMONTID_0000426
type: ChemicalCompound
inchi: InChI=1S/Os/i1-5

fenbendazol
broader: CHEMONTID_0004711
cas number: 43210-67-9
iupac name: methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate @en
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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)
pubchem: 3334
formula: C15H13N3O2S
cas number: 53571-02-1
inchikey: HDDSHPAODJUKPD-UHFFFAOYSA-N
type: ChemicalCompound
notation: fenbdzl
type: Concept

stikstofoxiden (nox), uitgedrukt als no2
comment: VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'
inchikey: GSWAOPJLTADLTN-UHFFFAOYSA-N
pubchem: 160954
smiles: [NH3+][O-]
comment: VLAR II bijl. 2.5.3. 'stikstofoxiden'
cas number: 11104-93-1
comment: 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'
cas number: 11129-69-4
type: ChemicalCompound
comment: VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''
type: Concept
broader: CHEMONTID_0000554
comment: VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'
is referenced by: LUC II 001
comment: VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'
comment: VLAR II (D2) 'stikstofoxiden (NOx)'
iupac name: oxidoazanium @en
comment: VLAR III (D3, diverse art) 'NOx'
inchi: InChI=1S/H3NO/c1-2/h1H3
comment: VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'
definition: stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als NO2(def VLAR II, D1: stikstofoxiden: de som van stikstofmonoxide en stikstofdioxide, uitgedrukt als stikstofdioxide (NO2))
alternative label: stikstofoxiden (NOx), uitgedrukt als NO2
in scheme: Conceptschema Chemische Stoffen
formula: H3NO
type: ChemicalSubstance

2,2',4,4',6,6'-hexachloorbifenyl
pubchem: 36647
type: ChemicalSubstance
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
type: ChemicalCompound
inchikey: ICOAEPDGFWLUTI-UHFFFAOYSA-N
broader: CHEMONTID_0003030
cas number: 33979-03-2
formula: C12H4Cl6
notation: PCB155
type: Concept
iupac name: 1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene @en
in scheme: Conceptschema Chemische Stoffen

venlafaxine
formula: C17H27NO2
pubchem: 5656
type: ChemicalCompound
notation: venlfxne
type: ChemicalSubstance
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
inchikey: PNVNVHUZROJLTJ-UHFFFAOYSA-N
iupac name: 1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol @en
cas number: 93413-69-5
in scheme: Conceptschema Chemische Stoffen
smiles: CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O
broader: CHEMONTID_0000138
type: Concept

chloorthal
type: ChemicalSubstance
formula: C8H2Cl4O4
pubchem: 16493
notation: cltl
type: Concept
iupac name: 2,3,5,6-Tetrachloroterephthalic acid @en
cas number: 2136-79-0
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
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)
broader: CHEMONTID_0001108
inchikey: KZCBXHSWMMIEQU-UHFFFAOYSA-N

beta-broom-beta-nitrostyreen
pubchem: 6433494
inchi: InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H/b8-6-
cas number: 7166-19-0
iupac name: [(E)-2-bromo-2-nitroethenyl]benzene @en
type: ChemicalSubstance
smiles: C1=CC=C(C=C1)C=C([N+](=O)[O-])Br
formula: C8H6BrNO2
notation: bBrbNO2srn
in scheme: Conceptschema Chemische Stoffen
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0002279
inchikey: SKDNDVDHYMEGNJ-VURMDHGXSA-N

7H-dibenzo(c,g)carbazol
notation: 7HDbzcgcbzl
pubchem: 9134
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
broader: CHEMONTID_0000210
cas number: 194-59-2
alternative label: 7h-dibenzo(c,g)carbazol
formula: C20H13N
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
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
type: ChemicalCompound
cas number: 28641-62-5
inchikey: STJXCDGCXVZHDU-UHFFFAOYSA-N

acrylzuur
cas number: 104922-39-6
inchikey: NIXOWILDQLNWCW-UHFFFAOYSA-N
cas number: 81031-52-9
type: ChemicalCompound
cas number: 55927-87-2
cas number: 101360-15-0
type: ChemicalSubstance
cas number: 174594-09-3
cas number: 29862-29-1
cas number: 54990-82-8
notation: 2C3ezr
cas number: 59233-19-1
cas number: 105913-47-1
pubchem: 6581
alternative label: 2-propeenzuur
cas number: 11132-69-7
broader: CHEMONTID_0004451
cas number: 37241-23-9
cas number: 51142-25-7
smiles: C=CC(=O)O
cas number: 82446-45-5
inchi: InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
in scheme: Conceptschema Chemische Stoffen
iupac name: prop-2-enoic acid @en
cas number: 56747-65-0
cas number: 54578-44-8
cas number: 39341-22-5
cas number: 9003-03-6
formula: C3H4O2
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
type: Concept
cas number: 79-10-7
comment: VLAREM II bijlage 4.4.2
cas number: 87913-02-8
cas number: 9007-20-9
cas number: 165724-08-3

1,2-dichloorpropaan
cas number: 68390-96-5
type: ChemicalCompound
smiles: CC(CCl)Cl
cas number: 78-87-5
in scheme: Conceptschema Chemische Stoffen
pubchem: 6564
type: ChemicalSubstance
broader: CHEMONTID_0001516
inchikey: KNKRKFALVUDBJE-UHFFFAOYSA-N
inchi: InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
notation: 12DClC3a
type: Concept
cas number: 26198-63-0
formula: C3H6Cl2
iupac name: 1,2-Dichloropropane @en

methamfetamine hydrochloride
formula: C10H16ClN
smiles: CC(CC1=CC=CC=C1)NC.Cl
notation: methafAeHCl
type: Concept
broader: CHEMONTID_0000188
cas number: 4298-16-2
iupac name: N-methyl-1-phenylpropan-2-amine hydrochloride @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
pubchem: 9306
cas number: 300-42-5
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
inchikey: TWXDDNPPQUTEOV-UHFFFAOYSA-N

n,n'-bis(1,1-dimethylethyl)ureum
iupac name: 1,3-ditert-butylurea @en
pubchem: 21420
smiles: CC(C)(C)NC(=O)NC(C)(C)C
inchikey: WSABLXKFAPKFSO-UHFFFAOYSA-N
type: Concept
formula: C9H20N2O
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 5336-24-3
notation: NNb11DC1yC2y
broader: CHEMONTID_0000517
type: ChemicalCompound
alternative label: N,N'-bis(1,1-dimethylethyl)ureum
inchi: InChI=1S/C9H20N2O/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)

benzo(g,h,i)pery-leen
alternative label: benzo(g,h,i)peryleen (b)
type: ChemicalCompound
alternative label: benzo(ghi)peryleen
pubchem: 9117
inchikey: GYFAGKUZYNFMBN-UHFFFAOYSA-N
is referenced by: LUC VI 001
type: ChemicalSubstance
notation: BghiPe
alternative label: benzo(g,h,i)peryleen
formula: C22H12
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000316
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
type: Concept
cas number: 191-24-2

isoproturon
smiles: CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
iupac name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea @en
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)
broader: CHEMONTID_0001935
type: Concept
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 34123-59-6
pubchem: 36679
type: ChemicalSubstance
notation: iptrn
formula: C12H18N2O
inchikey: PUIYMUZLKQOUOZ-UHFFFAOYSA-N

validamycine
pubchem: 443629
type: Concept
broader: CHEMONTID_0002207
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
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
inchikey: JARYYMUOCXVXNK-CSLFJTBJSA-N
notation: valdmcne
type: ChemicalSubstance
cas number: 37248-47-8
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

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

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

tert-butylamine
cas number: 94896-77-2
inchikey: YBRBMKDOPFTVDT-UHFFFAOYSA-N
smiles: CC(C)(C)N
pubchem: 6385
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
broader: CHEMONTID_0000469
iupac name: 2-methylpropan-2-amine @en
type: ChemicalCompound
formula: C4H11N
type: Concept
notation: ttC4yAe
cas number: 75-64-9

heptabroomdifenylether
type: ChemicalSubstance
cas number: 139598-16-6
type: ChemicalCompound
cas number: 113172-79-5
pubchem: 3034400
iupac name: 1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)benzene @en
formula: C12H3Br7O
broader: CHEMONTID_0001845
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
inchikey: NLBLNZDNOSSGPW-UHFFFAOYSA-N
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 68928-80-3

microcystine-lf
alternative label: microcystine-LF
broader: CHEMONTID_0002010
type: ChemicalCompound
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
in scheme: Conceptschema Chemische Stoffen
notation: MC-LF
type: ChemicalSubstance
inchikey: FEVBMCJUKWWWBT-BNIOFCGNSA-N
cas number: 154037-70-4
pubchem: 6442256
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+
type: Concept
formula: C52H71N7O12

jopromide
inchikey: DGAIEPBNLOQYER-UHFFFAOYSA-N
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)
formula: C18H24I3N3O8
pubchem: 3736
type: ChemicalCompound
iupac name: N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N'-methylbenzene-1,3-dicarboxamide @en
broader: CHEMONTID_0003100
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
notation: jopmde
cas number: 73334-07-3
type: Concept

trimethyleenglycol (1,3-propyleenglycol)
inchi: InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
notation: TC1yegcl
in scheme: Conceptschema Chemische Stoffen
iupac name: Propane-1,3-diol @en
pubchem: 10442
inchikey: YPFDHNVEDLHUCE-UHFFFAOYSA-N
type: Concept
formula: C3H8O2
cas number: 757125-93-2
broader: CHEMONTID_0000286
type: ChemicalSubstance
smiles: C(CO)CO
type: ChemicalCompound
cas number: 504-63-2

wolfraam 181
cas number: 15749-46-9
inchikey: WFKWXMTUELFFGS-OIOBTWANSA-N
iupac name: tungsten-181 @en
type: ChemicalCompound
smiles: [W]
broader: CHEMONTID_0000426
inchi: InChI=1S/W/i1-3
in scheme: Conceptschema Chemische Stoffen
formula: W
type: Concept
type: ChemicalSubstance
notation: W181
pubchem: 161143

beryllium
broader: CHEMONTID_0000428
type: ChemicalCompound
type: ChemicalSubstance
smiles: [Be]
notation: Be
inchikey: ATBAMAFKBVZNFJ-UHFFFAOYSA-N
formula: Be
cas number: 7440-41-7
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 5460467
iupac name: BERYLLIUM @en
inchi: InChI=1S/Be

2,3,4-trimethylaniline
iupac name: 2,3,4-Trimethylaniline @en
pubchem: 73844
formula: C9H13N
smiles: CC1=C(C(=C(C=C1)N)C)C
type: ChemicalSubstance
notation: 234TC1yAn
in scheme: Conceptschema Chemische Stoffen
cas number: 1467-35-2
broader: CHEMONTID_0000284
type: ChemicalCompound
inchikey: RLIPQCDHACHPJW-UHFFFAOYSA-N
inchi: InChI=1S/C9H13N/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,10H2,1-3H3
type: Concept

2-octanol
formula: C8H18O
iupac name: octan-2-ol @en
cas number: 4128-31-8
broader: CHEMONTID_0001334
notation: 2C8ol
cas number: 113244-40-9
type: Concept
pubchem: 20083
cas number: 113301-48-7
inchikey: SJWFXCIHNDVPSH-UHFFFAOYSA-N
type: ChemicalCompound
inchi: InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
cas number: 6169-06-8
type: ChemicalSubstance
cas number: 123-96-6
cas number: 25339-16-6
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCC(C)O

1,5-naftaleendisulfonzuur
in scheme: Conceptschema Chemische Stoffen
inchikey: XTEGVFVZDVNBPF-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0003600
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)
type: ChemicalCompound
notation: 15NafDsfzr
iupac name: naphthalene-1,5-disulfonic acid @en
formula: C10H8O6S2
cas number: 81-04-9
type: Concept
pubchem: 6666
cas number: 46874-44-6

4-methylvaleriaanzuur
iupac name: 4-Methylpentanoic acid @en
cas number: 1866-94-0
cas number: 1331-16-4
cas number: 646-07-1
inchi: InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
inchikey: FGKJLKRYENPLQH-UHFFFAOYSA-N
cas number: 38784-67-7
type: ChemicalCompound
pubchem: 12587
type: ChemicalSubstance
formula: C6H12O2
type: Concept
notation: 4C1yvlrazr
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003544
smiles: CC(C)CCC(=O)O

isoxaben
notation: isxbn
type: Concept
broader: CHEMONTID_0004111
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)
inchikey: PMHURSZHKKJGBM-UHFFFAOYSA-N
cas number: 82558-50-7
formula: C18H24N2O4
in scheme: Conceptschema Chemische Stoffen
iupac name: 2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide @en
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 73672

flutolanil
inchikey: PTCGDEVVHUXTMP-UHFFFAOYSA-N
type: ChemicalSubstance
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)
cas number: 66332-96-5
iupac name: N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide @en
formula: C17H16F3NO2
notation: flutlnl
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 84461-35-8
broader: CHEMONTID_0004713
type: ChemicalCompound
pubchem: 47898

perfluorooctaansulfonylfluoride
type: Concept
formula: C8F18O2S
inchikey: BHFJBHMTEDLICO-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
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
pubchem: 9388
notation: PFOSF
broader: CHEMONTID_0004050
type: ChemicalCompound
iupac name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride @en
cas number: 307-35-7

methacrifos
inchikey: NTAHCMPOMKHKEU-AATRIKPKSA-N
type: Concept
alternative label: trans-methacrifos
notation: tmethcfs
type: ChemicalSubstance
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+
broader: CHEMONTID_0003384
smiles: CC(=COP(=S)(OC)OC)C(=O)OC
cas number: 62610-77-9
iupac name: ['methyl 3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate', 'methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate'] @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
cas number: 30864-28-9
notation: methcfs
pubchem: 3034435

2-methylthiobenzothiazool
in scheme: Conceptschema Chemische Stoffen
formula: C8H7NS2
cas number: 615-22-5
type: ChemicalSubstance
type: Concept
cas number: 64036-43-7
broader: CHEMONTID_0000311
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
inchikey: UTBVIMLZIRIFFR-UHFFFAOYSA-N
notation: 2C1ytobztazl
smiles: CSC1=NC2=CC=CC=C2S1
pubchem: 11989
type: ChemicalCompound
cas number: 31621-01-9

2-fenylisopropanol
type: ChemicalCompound
broader: CHEMONTID_0002811
inchikey: BDCFWIDZNLCTMF-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 12053
type: Concept
notation: 2FyiC3ol
iupac name: 2-Phenylpropan-2-ol @en
cas number: 617-94-7
smiles: CC(C)(C1=CC=CC=C1)O
inchi: InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
in scheme: Conceptschema Chemische Stoffen
formula: C9H12O

fenantreen
inchi: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
type: ChemicalSubstance
broader: CHEMONTID_0000025
type: ChemicalCompound
is referenced by: LUC VI 001
formula: C14H10
cas number: 85-01-8
inchikey: YNPNZTXNASCQKK-UHFFFAOYSA-N
notation: Fen
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC=C2C(=C1)C=CC3=CC=CC=C32
type: Concept
iupac name: Phenanthrene @en
pubchem: 995

procymidon
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
inchikey: QXJKBPAVAHBARF-UHFFFAOYSA-N
notation: procmdn
cas number: 68444-90-6
cas number: 60120-20-9
type: ChemicalSubstance
pubchem: 36242
in scheme: Conceptschema Chemische Stoffen
formula: C13H11Cl2NO2
broader: CHEMONTID_0000303
cas number: 32809-16-8
type: ChemicalCompound
iupac name: 3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione @en
type: Concept

nitrofen
type: ChemicalSubstance
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
cas number: 51274-07-8
smiles: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
formula: C12H7Cl2NO3
broader: CHEMONTID_0004155
iupac name: 2,4-Dichloro-1-(4-nitrophenoxy)benzene @en
type: Concept
notation: NO2fn
pubchem: 15787
cas number: 1836-75-5
inchikey: XITQUSLLOSKDTB-UHFFFAOYSA-N

2,4-d butyl ester
broader: CHEMONTID_0000417
type: ChemicalCompound
pubchem: 7206
cas number: 94-80-4
iupac name: butyl 2-(2,4-dichlorophenoxy)acetate @en
in scheme: Conceptschema Chemische Stoffen
alternative label: 2,4-D butyl ester
inchikey: UQMRAFJOBWOFNS-UHFFFAOYSA-N
type: ChemicalSubstance
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
smiles: CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
formula: C12H14Cl2O3
type: Concept
notation: 24DC4yEsr

ethirimol
type: ChemicalCompound
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)
inchikey: BBXXLROWFHWFQY-UHFFFAOYSA-N
broader: CHEMONTID_0004161
smiles: CCCCC1=C(NC(=NC1=O)NCC)C
type: ChemicalSubstance
iupac name: 5-butyl-2-ethylamino-6-methyl-1H-pyrimidin-4-one @en
formula: C11H19N3O
notation: etrml
pubchem: 32152
cas number: 23947-60-6
type: Concept
in scheme: Conceptschema Chemische Stoffen

cypermethrin
cas number: 186554-45-0
cas number: 69865-47-0
cas number: 88161-75-5
inchikey: KAATUXNTWXVJKI-UHFFFAOYSA-N
cas number: 71697-59-1
in scheme: Conceptschema Chemische Stoffen
iupac name: [cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate @en
cas number: 137497-61-1
cas number: 159940-28-0
cas number: 52315-07-8
pubchem: 2912
cas number: 146909-55-9
notation: cypmtn
broader: CHEMONTID_0001461
formula: C22H19Cl2NO3
cas number: 142443-95-6
type: ChemicalCompound
type: ChemicalSubstance
cas number: 139203-31-9
cas number: 86752-99-0
cas number: 97955-44-7
type: Concept
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
smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
cas number: 86753-92-6

p-menthaan-3,8-diol
broader: CHEMONTID_0001401
type: ChemicalSubstance
pubchem: 556998
formula: C10H20O2
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: CC1CCC(C(C1)O)C(C)(C)O
cas number: 42822-86-6
iupac name: 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol @en
notation: p-ment38Dol
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
inchikey: LMXFTMYMHGYJEI-UHFFFAOYSA-N

ritalinezuur
type: ChemicalSubstance
smiles: C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
cas number: 19395-41-6
iupac name: 2-phenyl-2-piperidin-2-ylacetic acid @en
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)
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0003899
formula: C13H17NO2
notation: ritlnzr
type: ChemicalCompound
inchikey: INGSNVSERUZOAK-UHFFFAOYSA-N
pubchem: 86863
type: Concept

fenpropimorf
type: Concept
type: ChemicalSubstance
inchikey: RYAUSSKQMZRMAI-ALOPSCKCSA-N
type: ChemicalCompound
pubchem: 93365
cas number: 67564-91-4
notation: fenppmf
cas number: 76492-89-2
iupac name: (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine @en
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+
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002811
formula: C20H33NO

2-nitrofenol
broader: CHEMONTID_0000141
cas number: 88-75-5
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: ['2-(dihydroxyamino)phenol', '2-Nitrophenol'] @en
smiles: C1=CC=C(C(=C1)[N+](=O)[O-])O
pubchem: 6947
notation: 2NO2Fol
type: ChemicalSubstance
inchi: InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
type: Concept
formula: C6H5NO3
inchikey: IQUPABOKLQSFBK-UHFFFAOYSA-N

calcium, tweewaardig
in scheme: Conceptschema Chemische Stoffen
smiles: [Ca+2]
type: Concept
cas number: 17787-72-3
formula: Ca+2
inchikey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
cas number: 14127-61-8
pubchem: 271
broader: CHEMONTID_0000428
type: ChemicalSubstance
iupac name: calcium(+2) cation @en
type: ChemicalCompound
inchi: InChI=1S/Ca/q+2

genistein
broader: CHEMONTID_0000494
type: ChemicalSubstance
type: Concept
iupac name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one @en
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
inchikey: TZBJGXHYKVUXJN-UHFFFAOYSA-N
pubchem: 5280961
notation: gensn
formula: C15H10O5
cas number: 446-72-0
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

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

benzethonium chloride
cas number: 5929-09-9
cas number: 39362-38-4
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
type: ChemicalCompound
pubchem: 8478
formula: C27H42ClNO2
cas number: 121-54-0
type: ChemicalSubstance
iupac name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride @en
notation: BentnmCl
in scheme: Conceptschema Chemische Stoffen
type: Concept
broader: CHEMONTID_0002811
inchikey: UREZNYTWGJKWBI-UHFFFAOYSA-M
smiles: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

calareen
type: Concept
type: ChemicalCompound
notation: calrn
iupac name: 1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene @en
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
inchikey: MBIPADCEHSKJDQ-UHFFFAOYSA-N
smiles: CC1CCC=C2C1(C3C(C3(C)C)CC2)C
broader: CHEMONTID_0003565
pubchem: 28481
type: ChemicalSubstance
cas number: 17334-55-3
in scheme: Conceptschema Chemische Stoffen
formula: C15H24

methylindool
in scheme: Conceptschema Chemische Stoffen
inchikey: MLPOSYHILZVCJH-UHFFFAOYSA-N
cas number: 27323-28-0
smiles: CC1=CC2=C(C=C1)NC=C2.CC1=CC2=CC=CC=C2N1
iupac name: 2-methyl-1H-indole; 5-methyl-1H-indole @en
formula: C18H18N2
type: ChemicalCompound
notation: C1yidl
broader: CHEMONTID_0002497
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
type: Concept
pubchem: 33781
type: ChemicalSubstance

tetradecaanzuur
type: Concept
broader: CHEMONTID_0002949
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)
notation: C14azr
smiles: CCCCCCCCCCCCCC(=O)O
in scheme: Conceptschema Chemische Stoffen
pubchem: 11005
type: ChemicalSubstance
type: ChemicalCompound
cas number: 45184-05-2
inchikey: TUNFSRHWOTWDNC-UHFFFAOYSA-N
formula: C14H28O2
iupac name: Tetradecanoic acid @en
cas number: 544-63-8
cas number: 32112-52-0

1,2-dichloortetrafluorethaan
inchi: InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8
inchikey: DDMOUSALMHHKOS-UHFFFAOYSA-N
formula: C2Cl2F4
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: 1,2-Dichloro-1,1,2,2-tetrafluoroethane @en
broader: CHEMONTID_0004521
pubchem: 6429
cas number: 1320-37-2
notation: CFK114
smiles: C(C(F)(F)Cl)(F)(F)Cl
cas number: 76-14-2

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

2,2',4,4',5,5'-hexabroombifenyl
type: ChemicalSubstance
cas number: 67774-32-7
inchikey: HMBBJSKXDBUNNT-UHFFFAOYSA-N
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
notation: PBB153
pubchem: 42948
in scheme: Conceptschema Chemische Stoffen
iupac name: 1,2,4-tribromo-5-(2,4,5-tribromophenyl)benzene @en
type: Concept
cas number: 59080-40-9
type: ChemicalCompound
broader: CHEMONTID_0003954

chloornitrobenzeen
pubchem: 6945
inchikey: BFCFYVKQTRLZHA-UHFFFAOYSA-N
cas number: 25167-93-5
alternative label: 1-chloor-2-nitrobenzeen
smiles: C1=CC=C(C(=C1)[N+](=O)[O-])Cl
type: Concept
type: ChemicalCompound
iupac name: 1-Chloro-2-nitrobenzene @en
formula: C6H4ClNO2
type: ChemicalSubstance
notation: ClNO2Ben
inchi: InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
broader: CHEMONTID_0000036
notation: 1Cl2NO2Ben
in scheme: Conceptschema Chemische Stoffen
cas number: 88-73-3

methadon
in scheme: Conceptschema Chemische Stoffen
pubchem: 4095
type: ChemicalSubstance
cas number: 297-88-1
broader: CHEMONTID_0000369
iupac name: 6-dimethylamino-4,4-di(phenyl)heptan-3-one @en
formula: C21H27NO
notation: metdn
inchikey: USSIQXCVUWKGNF-UHFFFAOYSA-N
cas number: 76-99-3
cas number: 125-58-6
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
type: Concept
type: ChemicalCompound
cas number: 5653-80-5

dichloorfluormethaan
type: ChemicalCompound
type: Concept
iupac name: dichloro-fluoromethane @en
in scheme: Conceptschema Chemische Stoffen
notation: HCFK21
pubchem: 6370
cas number: 39289-28-6
type: ChemicalSubstance
broader: CHEMONTID_0004160
inchikey: UMNKXPULIDJLSU-UHFFFAOYSA-N
formula: CHCl2F
cas number: 75-43-4
inchi: InChI=1S/CHCl2F/c2-1(3)4/h1H
smiles: C(F)(Cl)Cl

3-methylaniline
in scheme: Conceptschema Chemische Stoffen
notation: 3C1yAn
cas number: 108-44-1
broader: CHEMONTID_0003964
type: Concept
inchikey: JJYPMNFTHPTTDI-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
formula: C7H9N
iupac name: 3-Methylaniline @en
smiles: CC1=CC(=CC=C1)N
pubchem: 7934

perfluordodecaansulfonzuur
broader: CHEMONTID_0003961
in scheme: Conceptschema Chemische Stoffen
cas number: 79780-39-5
type: Concept
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
notation: PFDoDS
type: ChemicalSubstance
type: ChemicalCompound
alternative label: perfluor-n-dodecaansulfonzuur (pfdods)
notation: PFDoAS
inchikey: CFCRODHVHXGTPC-UHFFFAOYSA-N
formula: C12HF25O3S
pubchem: 3018866
alternative label: perfluordodecaansulfonzuur (pfdods)
alternative label: perfluor-n-dodecaansulfonzuur

clindamycine
cas number: 24620-78-8
in scheme: Conceptschema Chemische Stoffen
notation: clindmcne
type: ChemicalCompound
cas number: 16669-21-9
cas number: 18323-44-9
broader: CHEMONTID_0004322
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
cas number: 13441-63-9
type: ChemicalSubstance
inchikey: KDLRVYVGXIQJDK-NOWPCOIGSA-N
type: Concept
cas number: 24696-19-3
formula: C18H33ClN2O5S
pubchem: 29029

terbufos-sulfon
notation: terbfsfn
smiles: CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
type: Concept
broader: CHEMONTID_0004164
cas number: 56070-16-7
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
in scheme: Conceptschema Chemische Stoffen
inchikey: DWZSTEUTHNUVQD-UHFFFAOYSA-N
formula: C9H21O4PS3
pubchem: 41718
type: ChemicalSubstance
type: ChemicalCompound
iupac name: tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidenephosphorane @en

tellurium
pubchem: 6327182
cas number: 137322-20-4
formula: Te
cas number: 13494-80-9
broader: CHEMONTID_0000431
notation: Te
type: ChemicalCompound
inchikey: PORWMNRCUJJQNO-UHFFFAOYSA-N
iupac name: TELLURIUM @en
smiles: [Te]
type: Concept
inchi: InChI=1S/Te
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance

3-nitrofenol
inchi: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
iupac name: 3-Nitrophenol @en
broader: CHEMONTID_0000141
type: ChemicalCompound
pubchem: 11137
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: C1=CC(=CC(=C1)O)[N+](=O)[O-]
formula: C6H5NO3
type: ChemicalSubstance
cas number: 554-84-7
notation: 3NO2Fol
inchikey: RTZZCYNQPHTPPL-UHFFFAOYSA-N

zink 65
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0000426
inchikey: HCHKCACWOHOZIP-IGMARMGPSA-N
notation: Zn65
in scheme: Conceptschema Chemische Stoffen
pubchem: 91574
smiles: [Zn]
cas number: 13982-39-3
inchi: InChI=1S/Zn/i1+0
formula: Zn
type: Concept
iupac name: zinc-65 @en

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

4-nitrodimethylaniline
type: ChemicalSubstance
broader: CHEMONTID_0000036
smiles: CN(C)C1=CC=C(C=C1)[N+](=O)[O-]
formula: C8H10N2O2
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 508191-95-5
pubchem: 7491
notation: 4NO2DC1yAn
inchi: InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
inchikey: QJAIOCKFIORVFU-UHFFFAOYSA-N
iupac name: N,N-Dimethyl-4-nitroaniline @en
cas number: 100-23-2
type: ChemicalCompound

androsteendion
in scheme: Conceptschema Chemische Stoffen
formula: C19H26O2
notation: andtdn
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
smiles: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
type: Concept
type: ChemicalCompound
cas number: 117598-81-9
type: ChemicalSubstance
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
broader: CHEMONTID_0001467
cas number: 104534-78-3
inchikey: AEMFNILZOJDQLW-QAGGRKNESA-N
cas number: 63-05-8
pubchem: 6128

natriumtripolyfosfaat
type: ChemicalSubstance
inchikey: YVBGRQLITPHVOP-UHFFFAOYSA-L
pubchem: 26118
formula: H3Na2O10P3
smiles: OP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-].[Na+].[Na+]
broader: CHEMONTID_0000656
cas number: 13573-18-7
in scheme: Conceptschema Chemische Stoffen
type: Concept
iupac name: disodium [hydroxy-(hydroxy-oxidophosphoryl)oxyphosphoryl] hydrogen phosphate @en
type: ChemicalCompound
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
notation: NaTplPO4

trifenylfosfinesulfide
formula: C18H15PS
cas number: 3878-45-3
notation: TFyffnS
type: Concept
type: ChemicalCompound
broader: CHEMONTID_0001814
pubchem: 19758
in scheme: Conceptschema Chemische Stoffen
inchikey: VYNGFCUGSYEOOZ-UHFFFAOYSA-N
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
type: ChemicalSubstance
iupac name: tri(phenyl)-sulfanylidenephosphorane @en

pindolol
cas number: 13523-86-9
type: Concept
iupac name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol @en
broader: CHEMONTID_0002497
smiles: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
type: ChemicalCompound
formula: C14H20N2O2
pubchem: 4828
type: ChemicalSubstance
notation: pindll
cas number: 21870-06-4
inchikey: JZQKKSLKJUAGIC-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
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

5-alfa-cholestan-3-one
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
type: Concept
type: ChemicalSubstance
cas number: 15600-08-5
notation: 5acholet3on
formula: C27H46O
pubchem: 85881
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
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
inchikey: PESKGJQREUXSRR-UHFFFAOYSA-N
broader: CHEMONTID_0001469

1h,1h,2h,2h-perfluorooctaansulfonzuur
notation: 6:2 FTS
alternative label: 6:2 fluortelomeersulfonzuur (6:2 fts)
alternative label: 2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 fts)
notation: H4PFOS
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)
cas number: 27619-97-2
broader: CHEMONTID_0001179
type: Concept
type: ChemicalCompound
iupac name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid @en
alternative label: 2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 FTS)
alternative label: 1H,1H,2H,2H-perfluorooctaansulfonzuur
alternative label: 6:2 fluortelomeersulfonzuur
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
notation: 2PFC6yC2a1sf
pubchem: 119688
inchikey: VIONGDJUYAYOPU-UHFFFAOYSA-N

diisoundecylftalaat
formula: C30H50O4
broader: CHEMONTID_0001350
pubchem: 175686
type: Concept
alternative label: di-isoundecylftalaat (mix van isomeren)
inchikey: LGBAGUMSAPUZPU-UHFFFAOYSA-N
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 96507-86-7
type: ChemicalSubstance
notation: DiC11yFt

perfluoroctaanzuur, kaliumzout
formula: C8H2F15KO2
pubchem: 3083763
cas number: 2395-00-8
iupac name: potassium; hydride; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid @en
broader: CHEMONTID_0003962
in scheme: Conceptschema Chemische Stoffen
inchikey: VRXISYRYNOUKHO-UHFFFAOYSA-N
type: ChemicalCompound
notation: PFOA_K
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
type: Concept
type: ChemicalSubstance

pentachloorben-zeen
alternative label: pentachloorbenzeen
type: Concept
inchikey: CEOCDNVZRAIOQZ-UHFFFAOYSA-N
cas number: 608-93-5
iupac name: 1,2,3,4,5-Pentachlorobenzene @en
pubchem: 11855
type: ChemicalSubstance
inchi: InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
in scheme: Conceptschema Chemische Stoffen
formula: C6HCl5
broader: CHEMONTID_0001099
type: ChemicalCompound
smiles: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
notation: PeClBen

N,3-dimethylaniline
broader: CHEMONTID_0003964
cas number: 696-44-6
alternative label: n,3-dimethylaniline
inchi: InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3
formula: C8H11N
pubchem: 69675
in scheme: Conceptschema Chemische Stoffen
inchikey: FBGJJTQNZVNEQU-UHFFFAOYSA-N
type: ChemicalCompound
notation: N3DC1yAn
type: ChemicalSubstance
type: Concept
smiles: CC1=CC(=CC=C1)NC
iupac name: N,3-Dimethylaniline @en

dihexadecyldimethylammonium
type: Concept
in scheme: Conceptschema Chemische Stoffen
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]
type: ChemicalCompound
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
formula: C34H72BrN
notation: DC16yDC1yNH4
iupac name: dihexadecyl-dimethylazanium bromide @en
inchikey: VIXPKJNAOIWFMW-UHFFFAOYSA-M
pubchem: 9808235
type: ChemicalSubstance
broader: CHEMONTID_0004225
cas number: 70755-47-4
alternative label: dihexadecyldimethylammonium bromide

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

N-acetyl-4-aminoantipyrine
type: ChemicalSubstance
cas number: 83-15-8
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
type: ChemicalCompound
inchikey: OIAGWXKSCXPNNZ-UHFFFAOYSA-N
type: Concept
formula: C13H15N3O2
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002019
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C
pubchem: 65743
notation: Nact4Aoatprn

gadoteerzuur
type: ChemicalSubstance
type: Concept
iupac name: gadolinium(+3) cation; 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid @en
notation: gadtzr
broader: CHEMONTID_0002966
formula: C16H28GdN4O8+3
cas number: 72573-82-1
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
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
inchikey: GFSTXYOTEVLASN-UHFFFAOYSA-N
pubchem: 3085828

1,4-butaandioldiglycidylether
type: ChemicalCompound
iupac name: 2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane @en
formula: C10H18O4
type: Concept
cas number: 162786-24-5
smiles: C1C(O1)COCCCCOCC2CO2
in scheme: Conceptschema Chemische Stoffen
cas number: 29611-97-0
cas number: 2425-79-8
cas number: 134498-52-5
notation: 14C4aDoDgcdE
cas number: 152618-32-1
inchikey: SHKUUQIDMUMQQK-UHFFFAOYSA-N
pubchem: 17046
inchi: InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
type: ChemicalSubstance
cas number: 83138-98-1
broader: CHEMONTID_0000159
cas number: 54350-59-3
cas number: 139074-76-3

2-butoxyethylacetaat
in scheme: Conceptschema Chemische Stoffen
inchikey: NQBXSWAWVZHKBZ-UHFFFAOYSA-N
formula: C8H16O3
type: ChemicalSubstance
type: ChemicalCompound
broader: CHEMONTID_0001238
inchi: InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
notation: 2C4oxC2yactt
iupac name: 2-Butoxyethyl acetate @en
cas number: 112-07-2
type: Concept
smiles: CCCCOCCOC(=O)C
pubchem: 8160

microcystine-LW
in scheme: Conceptschema Chemische Stoffen
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+
notation: MC-LW
cas number: 157622-02-1
formula: C54H72N8O12
alternative label: microcystine-lw
pubchem: 6442262
type: ChemicalCompound
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
type: ChemicalSubstance
broader: CHEMONTID_0002010
type: Concept
inchikey: CJIASZBWXIFQMU-ZVXOBQGSSA-N

mierenzuur
comment: VLAREM II bijlage 4.4.2
inchi: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
broader: CHEMONTID_0001205
cas number: 82069-14-5
cas number: 64-18-6
pubchem: 284
type: ChemicalSubstance
iupac name: formic acid @en
smiles: C(=O)O
type: Concept
cas number: 7056-83-9
cas number: 8006-93-7
formula: CH2O2
notation: C1azr
alternative label: methaanzuur
inchikey: BDAGIHXWWSANSR-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 15907-03-6
type: ChemicalCompound

safrol
formula: C10H10O2
broader: CHEMONTID_0000296
cas number: 94-59-7
notation: safl
smiles: C=CCC1=CC2=C(C=C1)OCO2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept
inchikey: ZMQAAUBTXCXRIC-UHFFFAOYSA-N
cas number: 1406-55-9
cas number: 8022-92-2
inchi: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
pubchem: 5144
type: ChemicalCompound
iupac name: 5-prop-2-enyl-1,3-benzodioxole @en

perfluornonaanzuur (pfna)
broader: CHEMONTID_0003958
alternative label: perfluor-n-nonaanzuur
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 375-95-1
pubchem: 67821
alternative label: perfluor-n-nonaanzuur (pfna)
iupac name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid @en
type: ChemicalCompound
notation: PFNA
type: ChemicalSubstance
inchikey: UZUFPBIDKMEQEQ-UHFFFAOYSA-N
alternative label: perfluornonaanzuur
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)

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

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

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

indometacine
type: Concept
iupac name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid @en
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)
cas number: 37242-43-6
type: ChemicalSubstance
cas number: 53-86-1
pubchem: 3715
inchikey: CGIGDMFJXJATDK-UHFFFAOYSA-N
formula: C19H16ClNO4
broader: CHEMONTID_0001753
notation: indmtcne
in scheme: Conceptschema Chemische Stoffen
cas number: 91853-74-6
type: ChemicalCompound

tricresylfosfaat
in scheme: Conceptschema Chemische Stoffen
inchikey: BOSMZFBHAYFUBJ-UHFFFAOYSA-N
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
type: ChemicalCompound
cas number: 1330-78-5
cas number: 78-32-0
alternative label: tri-p-cresylfosfaat
notation: TcsPO4
broader: CHEMONTID_0004619
formula: C21H21O4P
iupac name: tris(4-methylphenyl) phosphate @en
type: ChemicalSubstance
type: Concept
pubchem: 6529
notation: TpcsPO4

sulfotep
cas number: 3689-24-5
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
broader: CHEMONTID_0001572
inchikey: XIUROWKZWPIAIB-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 19395
type: Concept
cas number: 8054-28-2
notation: sulftp
formula: C8H20O5P2S2
smiles: CCOP(=S)(OCC)OP(=S)(OCC)OCC
iupac name: diethoxyphosphinothioyloxy-diethoxy-sulfanylidenephosphorane @en

benzyldimethyloctylammoniumchloride
notation: benzDC1yC8yl
cas number: 959-55-7
type: ChemicalCompound
formula: C17H30ClN
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: benzyl-dimethyl-octylazanium chloride @en
inchikey: PXFDQFDPXWHEEP-UHFFFAOYSA-M
broader: CHEMONTID_0003977
type: ChemicalSubstance
pubchem: 13740
smiles: CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
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

chloorfenapyr
inchikey: CWFOCCVIPCEQCK-UHFFFAOYSA-N
type: ChemicalSubstance
broader: CHEMONTID_0002334
in scheme: Conceptschema Chemische Stoffen
formula: C15H11BrClF3N2O
notation: Clfapr
pubchem: 91778
iupac name: 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile @en
type: ChemicalCompound
cas number: 122453-73-0
type: Concept
smiles: CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl

trioxymethyleen
formula: C3H6O3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: ChemicalCompound
inchi: InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
cas number: 110-88-3
iupac name: 1,3,5-Trioxane @en
inchikey: BGJSXRVXTHVRSN-UHFFFAOYSA-N
cas number: 113783-48-5
notation: TOxC1ye
type: Concept
broader: CHEMONTID_0001853
smiles: C1OCOCO1
pubchem: 8081

heptadecaanzuur
type: ChemicalCompound
inchikey: KEMQGTRYUADPNZ-UHFFFAOYSA-N
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
type: Concept
cas number: 8043-36-5
cas number: 506-12-7
broader: CHEMONTID_0002949
cas number: 68424-37-3
smiles: CCCCCCCCCCCCCCCCC(=O)O
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)
cas number: 45237-52-3
cas number: 28829-31-4
iupac name: Heptadecanoic acid @en
cas number: 8000-11-1
cas number: 176435-16-8
cas number: 67701-03-5
cas number: 63399-94-0
type: ChemicalSubstance
cas number: 7722-21-6
cas number: 37231-04-2
notation: C17azr
in scheme: Conceptschema Chemische Stoffen
formula: C17H34O2
cas number: 67255-22-5
cas number: 8034-57-9
cas number: 45237-51-2
pubchem: 10465

benzo(b)fluoran-teen
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
type: ChemicalCompound
is referenced by: LUC VI 001
alternative label: benzo(b)fluorantheen (b)
comment: VLAR II (D2)
in scheme: Conceptschema Chemische Stoffen
cas number: 205-99-2
notation: BbF
type: Concept
pubchem: 9153
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
type: ChemicalSubstance
broader: CHEMONTID_0000025
inchikey: FTOVXSOBNPWTSH-UHFFFAOYSA-N
formula: C20H12
alternative label: benzo(b)fluorantheen

barium 140
iupac name: barium-140 @en
inchi: InChI=1S/Ba/i1+3
pubchem: 6335490
cas number: 14798-08-4
inchikey: DSAJWYNOEDNPEQ-AKLPVKDBSA-N
broader: CHEMONTID_0000428
formula: Ba
notation: Ba140
type: ChemicalSubstance
type: Concept
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
smiles: [Ba]

ethyleenimine
cas number: 9077-52-5
iupac name: Aziridine @en
inchi: InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2
type: ChemicalSubstance
cas number: 66456-64-2
cas number: 99932-76-0
cas number: 96956-22-8
cas number: 96956-23-9
in scheme: Conceptschema Chemische Stoffen
cas number: 145379-92-6
smiles: C1CN1
cas number: 151-56-4
pubchem: 9033
type: ChemicalCompound
cas number: 39289-19-5
cas number: 69522-69-6
cas number: 81210-09-5
comment: VLAREM II bijlage 4.4.2
cas number: 81210-07-3
formula: C2H5N
cas number: 92047-44-4
cas number: 68130-98-3
cas number: 9002-98-6
inchikey: NOWKCMXCCJGMRR-UHFFFAOYSA-N
type: Concept
notation: C2yeimne
broader: CHEMONTID_0000103
cas number: 81210-08-4
cas number: 68130-99-4
cas number: 96956-24-0

orthofosfaat
cas number: 264888-19-9
cas number: 14265-44-2
type: ChemicalSubstance
notation: PO4
alternative label: fosfaat
cas number: 68891-72-5
formula: O4P-3
smiles: [O-]P(=O)([O-])[O-]
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
inchikey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
pubchem: 1061
type: ChemicalCompound
type: Concept
broader: CHEMONTID_0001073
is referenced by: WAC III C 010
iupac name: phosphate @en

2,2',3,4',5',6-hexachloorbifenyl
iupac name: 1,2,4-trichloro-5-(2,3,6-trichlorophenyl)benzene @en
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
type: Concept
pubchem: 38016
type: ChemicalCompound
broader: CHEMONTID_0003030
cas number: 38380-04-0
notation: PCB149
inchikey: LKHLFUVHHXCNJH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
formula: C12H4Cl6
type: ChemicalSubstance

dinonylftalaat
notation: DC9yFt
cas number: 84-76-4
type: ChemicalSubstance
iupac name: dinonyl benzene-1,2-dicarboxylate @en
cas number: 68515-45-7
cas number: 68648-92-0
pubchem: 6787
formula: C26H42O4
inchikey: DROMNWUQASBTFM-UHFFFAOYSA-N
type: ChemicalCompound
broader: CHEMONTID_0001350
type: Concept
in scheme: Conceptschema Chemische Stoffen
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

fluotrimazol
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
pubchem: 91600
type: ChemicalCompound
type: ChemicalSubstance
type: Concept
notation: Fltmzl
in scheme: Conceptschema Chemische Stoffen
inchikey: LXMQMMSGERCRSU-UHFFFAOYSA-N
cas number: 31251-03-3
broader: CHEMONTID_0004524
iupac name: 1-[di(phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole @en
formula: C22H16F3N3

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

1,6-naftaleendisulfonzuur
type: ChemicalSubstance
inchikey: HEWDOWUUTBCVJP-UHFFFAOYSA-N
notation: 16NafDsfzr
type: ChemicalCompound
formula: C10H8O6S2
cas number: 525-37-1
in scheme: Conceptschema Chemische Stoffen
pubchem: 10676
iupac name: NAPHTHALENE-1,6-DISULFONIC ACID @en
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)
broader: CHEMONTID_0003601
type: Concept

2,2',4,6,6'-pentachloorbifenyl
cas number: 56558-16-8
notation: PCB104
type: ChemicalCompound
formula: C12H5Cl5
inchikey: MTCPZNVSDFCBBE-UHFFFAOYSA-N
pubchem: 91662
broader: CHEMONTID_0003030
in scheme: Conceptschema Chemische Stoffen
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
type: ChemicalSubstance
iupac name: 1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene @en
type: Concept

flocoumafen
broader: CHEMONTID_0002044
type: Concept
iupac name: 2-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one @en
formula: C33H25F3O4
notation: flocmfn
pubchem: 91748
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
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
type: ChemicalSubstance
inchikey: OWUZCVPRFKSBRG-UHFFFAOYSA-N
cas number: 90035-08-8

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

bis(tribroomfenoxy)-ethaan
iupac name: 1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene @en
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
type: ChemicalSubstance
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: Concept
pubchem: 37840
inchikey: YATIGPZCMOYEGE-UHFFFAOYSA-N
cas number: 59764-36-2
formula: C14H8Br6O2
cas number: 37853-59-1
broader: CHEMONTID_0002341

isobutylstearaat
pubchem: 12588
type: Concept
broader: CHEMONTID_0000324
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(C)C
type: ChemicalCompound
notation: IC4ysart
cas number: 646-13-9
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
formula: C22H44O2
inchikey: ORFWYUFLWUWSFM-UHFFFAOYSA-N
iupac name: 2-Methylpropyl octadecanoate @en

n-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide
inchikey: WQNQTJSLPDZSDK-UHFFFAOYSA-N
pubchem: 157337
alternative label: N-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide
notation: Capstone A (DPOSA)
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0000270
cas number: 80475-32-7
type: Concept
iupac name: 3-dimethylamino-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)propan-1-amine oxide @en
formula: C13H17F13N2O3S

praeseodyum
inchi: InChI=1S/Pr
smiles: [Pr]
cas number: 110123-50-7
inchikey: PUDIUYLPXJFUGB-UHFFFAOYSA-N
type: ChemicalCompound
pubchem: 23942
formula: Pr
type: ChemicalSubstance
cas number: 7440-10-0
broader: CHEMONTID_0000429
iupac name: praseodymium @en
notation: Pr
in scheme: Conceptschema Chemische Stoffen
cas number: 24562-03-6
type: Concept

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

dodecyldimethylbenzylammoniumchloride
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
notation: DDBAC
formula: C21H38ClN
type: Concept
cas number: 67377-59-7
broader: CHEMONTID_0003977
smiles: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
cas number: 8038-88-8
cas number: 78565-22-7
cas number: 51796-11-3
pubchem: 8753
cas number: 10328-35-5
cas number: 139-07-1
inchikey: JBIROUFYLSSYDX-UHFFFAOYSA-M
iupac name: benzyl-dodecyl-dimethylazanium chloride @en
type: ChemicalSubstance
cas number: 95078-12-9
cas number: 107397-84-2
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

uranium 235
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchi: InChI=1S/U/i1-3
formula: U
pubchem: 61784
type: ChemicalCompound
inchikey: JFALSRSLKYAFGM-OIOBTWANSA-N
iupac name: uranium-235 @en
broader: CHEMONTID_0000430
smiles: [U]
type: ChemicalSubstance
notation: U235
cas number: 15117-96-1

2,6-di-tert-butyl-4-ethylfenol
in scheme: Conceptschema Chemische Stoffen
formula: C16H26O
cas number: 4130-92-1
iupac name: 2,6-ditert-butyl-4-ethylphenol @en
type: ChemicalCompound
pubchem: 20087
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
smiles: CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
type: Concept
notation: 26DttC4y4C2y
type: ChemicalSubstance
cas number: 4130-42-1
inchikey: BVUXDWXKPROUDO-UHFFFAOYSA-N
broader: CHEMONTID_0002811

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

protactinium 231
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 14331-85-2
type: ChemicalSubstance
pubchem: 105147
notation: Pa231
iupac name: protactinium-231 @en
inchikey: XLROVYAPLOFLNU-IGMARMGPSA-N
inchi: InChI=1S/Pa/i1+0
smiles: [Pa]
type: Concept
formula: Pa
broader: CHEMONTID_0000430

orfenadrine
broader: CHEMONTID_0000369
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
iupac name: N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine @en
smiles: CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C
formula: C18H23NO
cas number: 83-98-7
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
type: ChemicalSubstance
pubchem: 4601
notation: orfadne
type: Concept
inchikey: QVYRGXJJSLMXQH-UHFFFAOYSA-N

2,5-dichlooraniline
pubchem: 7262
type: Concept
inchikey: AVYGCQXNNJPXSS-UHFFFAOYSA-N
inchi: InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
smiles: C1=CC(=C(C=C1Cl)N)Cl
iupac name: 2,5-Dichloroaniline @en
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 95-82-9
notation: 25DClAn
broader: CHEMONTID_0002564
formula: C6H5Cl2N

trifluorjoodmethaan
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/CF3I/c2-1(3,4)5
cas number: 263005-66-9
notation: TFIC1a
formula: CF3I
inchikey: VPAYJEUHKVESSD-UHFFFAOYSA-N
smiles: C(F)(F)(F)I
type: ChemicalSubstance
type: ChemicalCompound
pubchem: 16843
broader: CHEMONTID_0004157
cas number: 2314-97-8
type: Concept
iupac name: trifluoro-iodomethane @en

cadmium 109
pubchem: 104782
in scheme: Conceptschema Chemische Stoffen
cas number: 14109-32-1
notation: Cd109
formula: Cd
broader: CHEMONTID_0000426
type: ChemicalCompound
inchi: InChI=1S/Cd/i1-3
iupac name: cadmium-109 @en
type: ChemicalSubstance
inchikey: BDOSMKKIYDKNTQ-OIOBTWANSA-N
type: Concept
smiles: [Cd]

triforine
type: ChemicalCompound
notation: Tfrne
iupac name: N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide @en
type: Concept
broader: CHEMONTID_0003357
cas number: 26644-46-2
pubchem: 33565
inchikey: RROQIUMZODEXOR-UHFFFAOYSA-N
formula: C10H14Cl6N4O2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
cas number: 36660-66-9
cas number: 37273-84-0

triclosan
notation: Tcsn
formula: C12H7Cl3O2
type: Concept
cas number: 88032-08-0
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004155
cas number: 112099-35-1
pubchem: 5564
cas number: 3380-34-5
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
type: ChemicalCompound
inchikey: XEFQLINVKFYRCS-UHFFFAOYSA-N
smiles: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
type: ChemicalSubstance
iupac name: 5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL @en

propoxur
smiles: CC(C)OC1=CC=CC=C1OC(=O)NC
type: ChemicalSubstance
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)
notation: propxr
type: ChemicalCompound
type: Concept
formula: C11H15NO3
iupac name: (2-propan-2-yloxyphenyl) N-methylcarbamate @en
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002341
cas number: 114-26-1
pubchem: 4944
inchikey: ISRUGXGCCGIOQO-UHFFFAOYSA-N

atrazine
cas number: 93616-39-8
iupac name: 6-chloro-N'-ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine @en
type: ChemicalSubstance
type: Concept
inchikey: MXWJVTOOROXGIU-UHFFFAOYSA-N
cas number: 12797-72-7
cas number: 11121-31-6
broader: CHEMONTID_0004721
cas number: 69771-31-9
formula: C8H14ClN5
cas number: 39400-72-1
cas number: 1912-24-9
in scheme: Conceptschema Chemische Stoffen
smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)C
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)
pubchem: 2256
cas number: 12040-45-8
notation: atzne
type: ChemicalCompound

octadecyl 3-(3,5-di-tert-butyl-4-hydroxyfenyl)propanoaat
inchikey: SSDSCDGVMJFTEQ-UHFFFAOYSA-N
cas number: 109265-64-7
notation: C18y335DttC4
cas number: 156511-59-0
formula: C35H62O3
type: Concept
iupac name: octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate @en
in scheme: Conceptschema Chemische Stoffen
cas number: 69093-37-4
cas number: 80693-11-4
cas number: 2082-79-3
type: ChemicalSubstance
pubchem: 16386
type: ChemicalCompound
broader: CHEMONTID_0001722
cas number: 119764-08-8

2-methylheptaan
pubchem: 11594
cas number: 28777-67-5
cas number: 26635-64-3
type: ChemicalSubstance
inchi: InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3
formula: C8H18
broader: CHEMONTID_0004620
cas number: 11070-05-6
type: Concept
in scheme: Conceptschema Chemische Stoffen
cas number: 1281-99-8
inchikey: JVSWJIKNEAIKJW-UHFFFAOYSA-N
type: ChemicalCompound
smiles: CCCCCC(C)C
iupac name: 2-Methylheptane @en
cas number: 592-27-8
notation: 2C1yC7a

clodinafop-propargyl
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
smiles: CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F
inchikey: JBDHZKLJNAIJNC-LLVKDONJSA-N
in scheme: Conceptschema Chemische Stoffen
cas number: 105512-06-9
notation: clodnfppgl
type: ChemicalCompound
broader: CHEMONTID_0004677
iupac name: prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate @en
formula: C17H13ClFNO4
type: ChemicalSubstance
type: Concept
cas number: 126572-25-6
pubchem: 92431
cas number: 126301-94-8

radium 228
iupac name: radium-228 @en
inchikey: HCWPIIXVSYCSAN-NJFSPNSNSA-N
smiles: [Ra]
type: Concept
type: ChemicalSubstance
formula: Ra
notation: Ra228
pubchem: 6328553
cas number: 15262-20-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0000428
type: ChemicalCompound
inchi: InChI=1S/Ra/i1+2

trichloorfluormethaan
cas number: 75-69-4
iupac name: trichloro-fluoromethane @en
cas number: 62185-70-0
formula: CCl3F
type: ChemicalCompound
type: Concept
inchikey: CYRMSUTZVYGINF-UHFFFAOYSA-N
notation: CFK11
in scheme: Conceptschema Chemische Stoffen
comment: VLAREM II bijlage 4.4.2
cas number: 91315-61-6
broader: CHEMONTID_0004521
pubchem: 6389
cas number: 83589-40-6
cas number: 79620-41-0
inchi: InChI=1S/CCl3F/c2-1(3,4)5
type: ChemicalSubstance
smiles: C(F)(Cl)(Cl)Cl

calciumdihydroxide
in scheme: Conceptschema Chemische Stoffen
iupac name: Calcium dihydroxide @en
type: Concept
smiles: [OH-].[OH-].[Ca+2]
type: ChemicalSubstance
pubchem: 14777
broader: CHEMONTID_0000677
cas number: 1305-62-0
cas number: 7719-01-9
cas number: 1333-29-5
notation: CaOH2
type: ChemicalCompound
inchi: InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2
formula: CaH2O2
inchikey: AXCZMVOFGPJBDE-UHFFFAOYSA-L

thorium 229
cas number: 15594-54-4
notation: Th229
broader: CHEMONTID_0000430
type: Concept
formula: Th
pubchem: 167312
iupac name: thorium-229 @en
inchikey: ZSLUVFAKFWKJRC-OIOBTWANSA-N
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/Th/i1-3
type: ChemicalSubstance
type: ChemicalCompound
smiles: [Th]

2-hydroxy-cyclohexanon
smiles: C1CCC(=O)C(C1)O
type: ChemicalSubstance
type: Concept
inchikey: ODZTXUXIYGJLMC-UHFFFAOYSA-N
cas number: 114818-70-1
formula: C6H10O2
iupac name: 2-Hydroxycyclohexan-1-one @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 10785
broader: CHEMONTID_0001292
inchi: InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2
notation: 2HOxccC6on
type: ChemicalCompound
cas number: 30282-14-5
cas number: 533-60-8

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

bromocriptine
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0002746
type: Concept
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
notation: Brctne
formula: C32H40BrN5O5
type: ChemicalSubstance
inchikey: OZVBMTJYIDMWIL-AYFBDAFISA-N
pubchem: 31101
cas number: 25614-03-3

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

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

glibenclamide
type: ChemicalSubstance
broader: CHEMONTID_0000031
in scheme: Conceptschema Chemische Stoffen
notation: glibcmde
formula: C23H28ClN3O5S
type: ChemicalCompound
type: Concept
inchikey: ZNNLBTZKUZBEKO-UHFFFAOYSA-N
pubchem: 3488
cas number: 10238-21-8

2,2',3,4,4',5-hexachloorbifenyl
type: ChemicalSubstance
cas number: 35694-06-5
iupac name: 1,2,3,4-tetrachloro-5-(2,4-dichlorophenyl)benzene @en
pubchem: 37250
inchikey: CKLLRBPBZLTGDJ-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
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
notation: PCB137
formula: C12H4Cl6
broader: CHEMONTID_0003030
type: ChemicalCompound
type: Concept

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

glyceroltrioctanoaat
pubchem: 10850
cas number: 538-23-8
formula: C27H50O6
broader: CHEMONTID_0001135
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
notation: glycrTocnat
type: ChemicalCompound
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: Concept
cas number: 114355-15-6
inchikey: VLPFTAMPNXLGLX-UHFFFAOYSA-N

piperonyl-butoxide
in scheme: Conceptschema Chemische Stoffen
pubchem: 5794
type: ChemicalSubstance
smiles: CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2
inchikey: FIPWRIJSWJWJAI-UHFFFAOYSA-N
cas number: 12750-92-4
cas number: 51-03-6
iupac name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole @en
broader: CHEMONTID_0000296
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
cas number: 63993-73-7
type: ChemicalCompound
notation: piprnbO
type: Concept
formula: C19H30O5

betamethason
inchikey: UREBDLICKHMUKA-DVTGEIKXSA-N
formula: C22H29FO5
type: ChemicalCompound
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
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
notation: betmtsn
cas number: 378-44-9
in scheme: Conceptschema Chemische Stoffen
pubchem: 9782
type: ChemicalSubstance
type: Concept
broader: CHEMONTID_0003095

carbohydrazide
type: Concept
notation: carbhdzde
iupac name: 1,3-Diaminourea @en
formula: CH6N4O
inchi: InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
pubchem: 73948
broader: CHEMONTID_0002464
smiles: C(=O)(NN)NN
inchikey: XEVRDFDBXJMZFG-UHFFFAOYSA-N
cas number: 497-18-7
type: ChemicalCompound

kaliumbromaat
notation: KBrO3
pubchem: 24444
type: ChemicalSubstance
broader: CHEMONTID_0000631
type: Concept
cas number: 7758-01-2
inchi: InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
inchikey: OCATYIAKPYKMPG-UHFFFAOYSA-M
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
iupac name: POTASSIUM BROMATE @en
formula: BrKO3
smiles: [O-]Br(=O)=O.[K+]

methyl 2-methylpropanoaat
cas number: 547-63-7
smiles: CC(C)C(=O)OC
broader: CHEMONTID_0003416
type: ChemicalCompound
notation: C1y2C1yppnat
inchikey: BHIWKHZACMWKOJ-UHFFFAOYSA-N
type: ChemicalSubstance
type: Concept
in scheme: Conceptschema Chemische Stoffen
iupac name: Methyl 2-methylpropanoate @en
pubchem: 11039
formula: C5H10O2
inchi: InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3

cefuroxim
formula: C16H16N4O8S
pubchem: 5361202
cas number: 55268-75-2
type: ChemicalSubstance
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
in scheme: Conceptschema Chemische Stoffen
notation: cefrxm
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
type: Concept
broader: CHEMONTID_0004410
inchikey: JFPVXVDWJQMJEE-SWWZKJRFSA-N
type: ChemicalCompound

1,2,3-trimethylbenzeen
iupac name: 1,2,3-Trimethylbenzene @en
broader: CHEMONTID_0002279
cas number: 25551-13-7
pubchem: 10686
cas number: 526-73-8
type: Concept
is referenced by: LUC IV 011
inchi: InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
is referenced by: LUC IV 000
is referenced by: LUC IV 001
notation: 123TC1yBen
smiles: CC1=C(C(=CC=C1)C)C
formula: C9H12
inchikey: FYGHSUNMUKGBRK-UHFFFAOYSA-N
type: ChemicalSubstance
type: ChemicalCompound
comment: VLAR II bijl. 4.4.2 'trimethylbenzeen'
in scheme: Conceptschema Chemische Stoffen

clopidol
in scheme: Conceptschema Chemische Stoffen
cas number: 68821-99-8
formula: C7H7Cl2NO
smiles: CC1=C(C(=O)C(=C(N1)C)Cl)Cl
cas number: 11116-46-4
iupac name: 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one @en
broader: CHEMONTID_0003971
inchi: InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
inchikey: ZDPIZLCVJAAHHR-UHFFFAOYSA-N
type: ChemicalSubstance
pubchem: 18087
type: Concept
type: ChemicalCompound
notation: clopdl
cas number: 2971-90-6

1,2-diaminobenzeen
iupac name: benzene-1,2-diamine @en
inchikey: GEYOCULIXLDCMW-UHFFFAOYSA-N
inchi: InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
in scheme: Conceptschema Chemische Stoffen
type: Concept
smiles: C1=CC=C(C(=C1)N)N
notation: 12DAoBen
pubchem: 7243
broader: CHEMONTID_0000284
formula: C6H8N2
type: ChemicalSubstance
cas number: 95-54-5
type: ChemicalCompound

4-methoxy-2-nitroaniline
inchikey: QFMJFXFXQAFGBO-UHFFFAOYSA-N
formula: C7H8N2O3
notation: 4C1ox2NO2An
iupac name: 4-Methoxy-2-nitroaniline @en
type: Concept
pubchem: 66793
type: ChemicalCompound
type: ChemicalSubstance
inchi: InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
in scheme: Conceptschema Chemische Stoffen
cas number: 96-96-8
smiles: COC1=CC(=C(C=C1)N)[N+](=O)[O-]
broader: CHEMONTID_0004671

benzo(k)fluorantheen
type: Concept
inchikey: HAXBIWFMXWRORI-UHFFFAOYSA-N
notation: BkF
broader: CHEMONTID_0000023
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
is referenced by: LUC VI 001
pubchem: 9158
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
comment: VLAR II (D2)

1-hepteen
cas number: 592-76-7
comment: VLAR II bijl. 4.4.2 'Olefinische koolwaterstoffen (behalve 1,3-butadieen)'
type: ChemicalSubstance
cas number: 68526-53-4
type: ChemicalCompound
cas number: 25339-56-4
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
iupac name: hept-1-ene @en
type: Concept
broader: CHEMONTID_0004476
is referenced by: LUC IV 000
smiles: CCCCCC=C
formula: C7H14
pubchem: 11610
is referenced by: LUC IV 005
notation: 1C7e
is referenced by: LUC IV 011
inchikey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N

fosforzuur
type: Concept
cas number: 1339-32-8
smiles: OP(=O)(O)O
iupac name: ['Phosphoric acid', 'tetrahydroxyphosphanium'] @en
cas number: 9043-01-0
cas number: 28602-75-7
inchi: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
type: ChemicalCompound
pubchem: 1004
broader: CHEMONTID_0001073
cas number: 9066-91-5
in scheme: Conceptschema Chemische Stoffen
formula: H3O4P
cas number: 9044-08-0
cas number: 7664-38-2
notation: H3PO4
type: ChemicalSubstance
inchikey: NBIIXXVUZAFLBC-UHFFFAOYSA-N
cas number: 178560-73-1

2-(2-butoxyethoxy)ethanol
inchikey: OAYXUHPQHDHDDZ-UHFFFAOYSA-N
cas number: 112-34-5
smiles: CCCCOCCOCCO
type: Concept
iupac name: 2-(2-Butoxyethoxy)ethanol @en
inchi: InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
broader: CHEMONTID_0001167
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 8177
formula: C8H18O3
notation: 22C4oxC2oxC2
type: ChemicalSubstance
cas number: 210818-08-9

perfluor-n-octadecaanzuur (pfoda)
broader: CHEMONTID_0002949
formula: C18HF35O2
cas number: 16517-11-6
notation: PFODA
type: ChemicalCompound
notation: PFC18azr
type: ChemicalSubstance
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)
alternative label: perfluoroctadecaanzuur
in scheme: Conceptschema Chemische Stoffen
inchikey: ZTSDOGSKTICNPQ-UHFFFAOYSA-N
pubchem: 167547
type: Concept
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
alternative label: perfluor-n-octadecaanzuur

azijnzuur
pubchem: 176
cas number: 9035-69-2
type: ChemicalSubstance
formula: C2H4O2
comment: VLAREM II bijlage 4.4.2
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 77671-22-8
cas number: 157090-22-7
notation: HAc
type: Concept
inchi: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
cas number: 68475-71-8
cas number: 64-19-7
inchikey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
broader: CHEMONTID_0001205
smiles: CC(=O)O
cas number: 207004-55-5
iupac name: acetic acid @en

rotenon
type: ChemicalCompound
type: Concept
pubchem: 6758
cas number: 12679-58-2
inchikey: JUVIOZPCNVVQFO-HBGVWJBISA-N
in scheme: Conceptschema Chemische Stoffen
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
notation: rotnn
formula: C23H22O6
broader: CHEMONTID_0003528
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
cas number: 83-79-4
type: ChemicalSubstance

o-(fenylkwikoxy)fenol
cas number: 27360-58-3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
broader: CHEMONTID_0000137
notation: oFyHgOxFol
type: Concept
pubchem: 33793
formula: C12H10HgO2
inchikey: DNZXWDUPPLHSQL-UHFFFAOYSA-N
smiles: C1=CC=C(C=C1)[Hg]C2=C(C=C(C=C2)O)O
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;
type: ChemicalSubstance
iupac name: (2,4-dihydroxyphenyl)-phenylmercury @en

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

4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,dina-zout
type: ChemicalCompound
formula: C28H14N2Na2O10S2
notation: 44DAo11btcnn
cas number: 6022-22-6
broader: CHEMONTID_0000151
type: Concept
inchikey: OKHQKAVALRCESS-UHFFFAOYSA-L
iupac name: disodium 1-amino-4-(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)-9,10-dioxoanthracene-2-sulfonate @en
in scheme: Conceptschema Chemische Stoffen
pubchem: 80119
alternative label: 4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,diNa-zout
type: ChemicalSubstance

ranitidine
notation: rantdne
formula: C13H23ClN4O3S
type: ChemicalCompound
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
cas number: 66357-59-3
broader: CHEMONTID_0003899
type: Concept
pubchem: 3033332
inchikey: GGWBHVILAJZWKJ-KJEVSKRMSA-N
cas number: 66357-35-5
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+;
cas number: 71130-06-8
smiles: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen

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

maltodextrine
broader: CHEMONTID_0001498
iupac name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal @en
pubchem: 107526
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
cas number: 28823-03-2
cas number: 9050-36-6
type: Concept
type: ChemicalSubstance
cas number: 815-92-9
inchikey: GZCGUPFRVQAUEE-SLPGGIOYSA-N
notation: maltdtne
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
formula: C6H12O6
smiles: C(C(C(C(C(C=O)O)O)O)O)O
cas number: 19030-38-7

ammoniumhydroxide
cas number: 132103-60-7
notation: NH4OH
smiles: [NH4+].[OH-]
formula: H5NO
broader: CHEMONTID_0001055
cas number: 125888-87-1
type: Concept
inchi: InChI=1S/H3N.H2O/h1H3;1H2
cas number: 1336-21-6
cas number: 16393-49-0
in scheme: Conceptschema Chemische Stoffen
iupac name: azanium hydroxide @en
inchikey: VHUUQVKOLVNVRT-UHFFFAOYSA-N
type: ChemicalCompound
type: ChemicalSubstance
pubchem: 14923

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

chloortoluron
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)
formula: C10H13ClN2O
smiles: CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl
iupac name: 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea @en
type: ChemicalSubstance
inchikey: JXCGFZXSOMJFOA-UHFFFAOYSA-N
alternative label: chlorotoluron
cas number: 15545-48-9
type: Concept
notation: Cltlrn
cas number: 11111-56-1
broader: CHEMONTID_0001935
type: ChemicalCompound
in scheme: Conceptschema Chemische Stoffen
pubchem: 27375

pregabalin
pubchem: 5486971
iupac name: (3S)-3-(aminomethyl)-5-methylhexanoic acid @en
formula: C8H17NO2
type: ChemicalSubstance
type: Concept
smiles: CC(C)CC(CC(=O)O)CN
in scheme: Conceptschema Chemische Stoffen
notation: pregbln
broader: CHEMONTID_0001880
type: ChemicalCompound
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
inchikey: AYXYPKUFHZROOJ-ZETCQYMHSA-N
cas number: 148553-50-8

1,2-butyleenoxide
cas number: 1331-08-4
inchi: InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
iupac name: 2-Ethyloxirane @en
formula: C4H8O
cas number: 106-88-7
cas number: 55555-96-9
pubchem: 7834
broader: CHEMONTID_0000159
cas number: 26249-20-7
cas number: 59915-64-9
inchikey: RBACIKXCRWGCBB-UHFFFAOYSA-N
smiles: CCC1CO1
cas number: 26140-56-7
notation: 12C4yeO
type: ChemicalCompound
cas number: 38721-59-4
cas number: 28347-41-3
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
type: Concept

PCB 81
inchikey: BHWVLZJTVIYLIV-UHFFFAOYSA-N
alternative label: 3,4,4',5-tetrachlorobifenyl
comment: VLAR III (D3) 'dioxineachtige PCB's'
iupac name: 1,2,3-trichloro-5-(4-chlorophenyl)benzene @en
formula: C12H6Cl4
smiles: C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl
cas number: 70362-50-4
broader: CHEMONTID_0003030
alternative label: 3,4,4',5-tetrachloorbifenyl (pcb81)
type: Concept
inchi: InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
type: ChemicalSubstance
type: ChemicalCompound
notation: PCB81
in scheme: Conceptschema Chemische Stoffen
is referenced by: LUC VI 002
alternative label: pcb 81
pubchem: 51043

4-(1-hydroxy-1-methylethyl)-acetofenon
broader: CHEMONTID_0004298
notation: 41HOx1C1yC2y
inchi: InChI=1S/C11H14O2/c1-8(12)9-4-6-10(7-5-9)11(2,3)13/h4-7,13H,1-3H3
type: Concept
pubchem: 41122
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
smiles: CC(=O)C1=CC=C(C=C1)C(C)(C)O
inchikey: KWWWFTBWCKTBQI-UHFFFAOYSA-N
type: ChemicalSubstance
formula: C11H14O2
cas number: 54549-72-3
iupac name: 1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone @en

perfenazine
broader: CHEMONTID_0000310
cas number: 58-39-9
type: ChemicalCompound
notation: perfazne
inchikey: RGCVKNLCSQQDEP-UHFFFAOYSA-N
iupac name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol @en
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
type: Concept
pubchem: 4748
in scheme: Conceptschema Chemische Stoffen
formula: C21H26ClN3OS
type: ChemicalSubstance

perthaan
in scheme: Conceptschema Chemische Stoffen
pubchem: 6295
inchikey: QFMDFTQOJHFVNR-UHFFFAOYSA-N
type: ChemicalSubstance
alternative label: perthane
cas number: 72-56-0
formula: C18H20Cl2
broader: CHEMONTID_0001550
notation: pertn
iupac name: 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene @en
type: Concept
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
type: ChemicalCompound

ethoxychine
in scheme: Conceptschema Chemische Stoffen
type: ChemicalSubstance
formula: C14H19NO
broader: CHEMONTID_0001716
type: ChemicalCompound
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
cas number: 63301-91-7
iupac name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline @en
cas number: 91-53-2
notation: etxcne
inchikey: DECIPOUIJURFOJ-UHFFFAOYSA-N
cas number: 8047-04-9
type: Concept
pubchem: 3293
cas number: 8047-14-1
smiles: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C

levothyroxine
type: Concept
formula: C15H11I4NO4
broader: CHEMONTID_0004321
notation: levtrxne
type: ChemicalSubstance
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)
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound
inchikey: XUIIKFGFIJCVMT-UHFFFAOYSA-N
pubchem: 853
cas number: 51-48-9
cas number: 300-30-1
iupac name: 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid @en

3-hydroxy carbamazepine
broader: CHEMONTID_0000320
notation: 3HOxcbmzpne
type: Concept
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)
type: ChemicalCompound
formula: C15H12N2O2
type: ChemicalSubstance
inchikey: QQCFBZCATDIWTH-UHFFFAOYSA-N
in scheme: Conceptschema Chemische Stoffen
pubchem: 135290
iupac name: 9-hydroxybenzo[b][1]benzazepine-11-carboxamide @en
cas number: 68011-67-6

tris(2-chloor-1-(chloormethyl)ethyl)fosfaat
notation: tris2Cl1ClC1
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
type: ChemicalSubstance
broader: CHEMONTID_0003460
iupac name: tris(1,3-dichloropropan-2-yl) phosphate @en
inchikey: ASLWPAWFJZFCKF-UHFFFAOYSA-N
alternative label: tris-(1,3-dichloor-2-propyl)-fosfaat
in scheme: Conceptschema Chemische Stoffen
formula: C9H15Cl6O4P
pubchem: 26177
smiles: C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
type: ChemicalCompound
cas number: 13674-87-8
type: Concept

oxazepam
type: ChemicalCompound
cas number: 61036-43-9
type: ChemicalSubstance
notation: oxzpm
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)
formula: C15H11ClN2O2
cas number: 604-75-1
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004097
pubchem: 4616
inchikey: ADIMAYPTOBDMTL-UHFFFAOYSA-N
type: Concept
iupac name: 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one @en
cas number: 35295-88-6

3-chloor-1,1,1-trifluorpropaan
cas number: 673-93-8
inchi: InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2
cas number: 460-35-5
type: Concept
smiles: C(CCl)C(F)(F)F
broader: CHEMONTID_0001517
inchikey: ZPIFKCVYZBVZIV-UHFFFAOYSA-N
pubchem: 10000
iupac name: ['3-Chloro-1,1,1-trifluoropropane', '1-chloro-3,3,3-trifluoroprop-1-yne'] @en
formula: C3H4ClF3
notation: HCFK253fb
type: ChemicalSubstance
in scheme: Conceptschema Chemische Stoffen
type: ChemicalCompound

famfur
pubchem: 5859
smiles: CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
notation: famfr
type: ChemicalSubstance
iupac name: 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide @en
type: Concept
type: ChemicalCompound
formula: C10H16NO5PS2
inchikey: JISACBWYRJHSMG-UHFFFAOYSA-N
cas number: 52-85-7
in scheme: Conceptschema Chemische Stoffen
broader: CHEMONTID_0004748
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

tertiair-butylacrylaat
type: ChemicalSubstance
cas number: 782475-36-9
broader: CHEMONTID_0004452
in scheme: Conceptschema Chemische Stoffen
smiles: CC(C)(C)OC(=O)C=C
iupac name: tert-butyl prop-2-enoate @en
notation: ttC4yaclt
type: ChemicalCompound
inchikey: ISXSCDLOGDJUNJ-UHFFFAOYSA-N
inchi: InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3
type: Concept
pubchem: 15458
formula: C7H12O2
cas number: 1663-39-4

d-trans-allethrin
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
formula: C19H26O3
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
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
type: ChemicalCompound
cas number: 584-79-2
cas number: 25406-25-1
cas number: 71211-88-6
inchikey: ZCVAOQKBXKSDMS-UHFFFAOYSA-N
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
type: Concept
broader: CHEMONTID_0001461
cas number: 20301-61-5
in scheme: Conceptschema Chemische Stoffen
cas number: 22431-63-6
cas number: 6385-67-7
alternative label: allethrin
notation: alltn
cas number: 42534-61-2
notation: dtalltn
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
cas number: 25406-24-0
type: ChemicalSubstance
pubchem: 11442

1-(3,4-dichloorfenyl)ureum
broader: CHEMONTID_0002564
type: Concept
formula: C7H6Cl2N2O
smiles: C1=CC(=C(C=C1NC(=O)N)Cl)Cl
in scheme: Conceptschema Chemische Stoffen
notation: 134DClFyurum
pubchem: 16854
inchikey: CYESCLHCWJKRKM-UHFFFAOYSA-N
cas number: 2327-02-8
inchi: InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
type: ChemicalCompound
type: ChemicalSubstance
iupac name: (3,4-DICHLOROPHENYL)UREA @en

2-ethoxy-2-methylbutaan
type: Concept
formula: C7H16O
inchikey: KFRVYYGHSPLXSZ-UHFFFAOYSA-N
iupac name: 2-Ethoxy-2-methylbutane @en
smiles: CCC(C)(C)OCC
type: ChemicalCompound
type: ChemicalSubstance
notation: 2C2ox2C1yC4a
broader: CHEMONTID_0001167
cas number: 919-94-8
inchi: InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3
in scheme: Conceptschema Chemische Stoffen
pubchem: 13527

C.I. Direct Blue 218
in scheme: Conceptschema Chemische Stoffen
cas number: 27569-07-9
cas number: 10401-50-0
cas number: 72882-28-1
inchikey: RIQIBKLXYRWFEJ-BRBBMYSQSA-J
pubchem: 9570455
formula: C32H20Cu2N6Na4O16S4
broader: CHEMONTID_0000041
type: ChemicalCompound
notation: cidbe218
type: ChemicalSubstance
type: Concept
alternative label: c.i. direct blue 218
cas number: 23909-66-2
cas number: 28407-37-6
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
cas number: 190258-21-0

dichloorvos
in scheme: Conceptschema Chemische Stoffen
type: Concept
inchikey: OEBRKCOSUFCWJD-UHFFFAOYSA-N
cas number: 55819-32-4
inchi: InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
cas number: 116788-91-1
cas number: 62139-95-1
type: ChemicalCompound
cas number: 62655-59-8
cas number: 8076-16-2
pubchem: 3039
formula: C4H7Cl2O4P
cas number: 12772-40-6
cas number: 95828-55-0
cas number: 11095-17-3
cas number: 11126-72-0
notation: DClvs
cas number: 8072-21-7
smiles: COP(=O)(OC)OC=C(Cl)Cl
cas number: 8023-22-1
iupac name: ['2,2-Dichloroethenyl dimethyl phosphate', '2,2-dichloroethenoxy-hydroxy-dimethoxyphosphanium'] @en
cas number: 62-73-7
broader: CHEMONTID_0003459
type: ChemicalSubstance
cas number: 11096-21-2
cas number: 8072-39-7
cas number: 11111-31-2

flurochloridon
type: ChemicalSubstance
formula: C12H10Cl2F3NO
broader: CHEMONTID_0002336
type: Concept
notation: flurcrdn
in scheme: Conceptschema Chemische Stoffen
cas number: 61213-25-0
type: ChemicalCompound
cas number: 89286-81-7
pubchem: 91677
iupac name: 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one @en
inchikey: OQZCSNDVOWYALR-UHFFFAOYSA-N

aminomethylfosfonzuur
pubchem: 14017
in scheme: Conceptschema Chemische Stoffen
inchi: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
broader: CHEMONTID_0001302
alternative label: ampa
cas number: 1066-51-9
type: ChemicalCompound
notation: AMPA
formula: CH6NO3P
type: Concept
smiles: C(N)P(=O)(O)O
iupac name: AMINOMETHYLPHOSPHONIC ACID @en
type: ChemicalSubstance
inchikey: MGRVRXRGTBOSHW-UHFFFAOYSA-N