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ACuteTox: Reference chemicals used in the FP6 Integrated Project ACuteTox The main goal of this integrated project funded by EU 6FP, was to develop, optimise and prevalidate a simple and robust non-animal testing strategy for predicting human acute oral toxicity and for classification and labelling of chemicals into the four EU CLP acute oral toxicity categories and the non-classified. The project was set up in two phases and 124 reference chemicals were tested. 1 2 3 4 (124 chemicals) download ACuteTox excel file 
CASEINECSJRC CODEChemical NameSMILES
75-05-8200-835-2JRC-000097AcetonitrileCC#N
7681-49-4231-667-8JRC-000074Sodium FluorideF[Na]
81-81-2201-377-6JRC-000023WarfarinC1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
85-00-7201-579-4JRC-000057Diquat DibromideC2Cn1(Br)ccccc1c3ccccn23Br
75-09-2200-838-9JRC-000026DichloromethaneClCCl
77-21-4201-012-0JRC-000094GlutethimideCCC1(CCC(=O)NC1=O)C1=CC=CC=C1
7720-78-7231-753-5JRC-000018Ferrous SulfateO1S(=O)(=O)O[Fe]1
7778-80-5231-915-5JRC-000122Potassium sulfateS(=O)(=O)([O-])[O-].[K+].[K+]
866-84-2212-755-5JRC-000160Tripotassium citrateC(CC(=O)[O-])(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+]
7487-94-7231-299-8JRC-000013Mercury (II) chlorideCl[Hg]Cl
75-91-2200-915-7JRC-000065Tert-Butyl HydroperoxideCC(C)(C)OO
85-01-8201-581-5JRC-000060Phenanthrenec1ccc2c(c1)ccc3ccccc23
75-07-0200-836-8JRC-000042AcetaldehydeCC=O
7647-14-5231-598-3JRC-000081Sodium Chloride[Na+].[ClH-]
79-06-1201-173-7JRC-000040AcrylamideNC(=O)C=C
90-72-2202-013-9JRC-0001062,4,6-Tris(dimethylaminomethyl)phenolOc(c(cc(c1)CN(C)C)CN(C)C)c1CN(C)C
95-50-1202-425-9JRC-0001291,2-Dichlorobenzenec1(c(cccc1)Cl)Cl
81-14-1201-328-9JRC-0001154'-Tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenoneCC(=O)C1=C(C)C(=C(C(=C1C)[N](=O)=O)C(C)(C)C)[N](=O)=O
87-86-5201-778-6JRC-000014PentachlorophenolOC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
92-43-3202-155-1JRC-0001231-Phenyl-3-pyrazolidone O=C1CCN(N1)C1=CC=CC=C1
94-75-7202-361-1JRC-0000292,4-Dichlorophenoxyacetic acidc1(c(cc(Cl)cc1)Cl)OCC(O)=O
76-57-3200-969-1JRC-000036CodeineCOc1ccc2CC5C3C=CC(O)C4Oc1c2C34CCN5C
77182-82-2278-636-5JRC-000063 Glufosinate-ammoniumP(=O)(CCC(C(=O)[O-])N)(C)O.[NH4+]
79-94-7201-236-9JRC-0001372,2',6,6'-Tetrabromo-4,4'-isopropylidenediphenolOc(c(cc(c1)C(c(cc(c(O)c2Br)Br)c2)(C)C)Br)c1Br
9005-64-5500-018-3JRC-000113Tween 20-

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