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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  excel file 
CASEINECSChemical NameSMILES
70-30-4 200-733-8HexachloropheneOC1=C(Cl)C=C(Cl)C(Cl)=C1CC1=C(Cl)C(Cl)=CC(Cl)=C1O
71-43-2 200-753-7Benzenec1ccccc1
7487-94-7 231-299-8Mercury (II) chlorideCl[Hg]Cl
75-05-8 200-835-2AcetonitrileCC#N
75-07-0 200-836-8AcetaldehydeCC=O
75-09-2 200-838-9DichloromethaneClCCl
75-91-2 200-915-7Tert-Butyl HydroperoxideCC(C)(C)OO
76-57-3 200-969-1CodeineCOc1ccc2CC5C3C=CC(O)C4Oc1c2C34CCN5C
7647-14-5 231-598-3Sodium Chloride[Na+].[ClH-]
7681-49-4 231-667-8Sodium Fluoride[Na+].[FH-]
77-21-4 201-012-0GlutethimideCCC1(CCC(=O)NC1=O)C1=CC=CC=C1
79-06-1 201-173-7AcrylamideNC(=O)C=C
79-94-7 201-236-92,2',6,6'-Tetrabromo-4,4'-isopropylidenediphenolOc(c(cc(c1)C(c(cc(c(O)c2Br)Br)c2)(C)C)Br)c1Br
81-14-1 201-328-94'-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
81-81-2 201-377-6WarfarinC1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
85-00-7 201-579-4Diquat Dibromidec12c3[n+](CC[n+]1cccc2)cccc3.[BrH-].[BrH-]
85-01-8 201-581-5Phenanthrenec1ccc2c(c1)ccc3ccccc23
866-84-2 212-755-5Tripotassium citrateC(CC(=O)[O-])(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+]
87-86-5 201-778-6PentachlorophenolOC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
90-72-2 202-013-92,4,6-Tris(dimethylaminomethyl)phenolOc(c(cc(c1)CN(C)C)CN(C)C)c1CN(C)C
9005-64-5 500-018-3Tween 20
92-43-3 202-155-11-Phenyl-3-pyrazolidone O=C1CCN(N1)C1=CC=CC=C1
94-75-7 202-361-12,4-Dichlorophenoxyacetic acidc1(c(cc(Cl)cc1)Cl)OCC(O)=O
95-50-1 202-425-91,2-Dichlorobenzenec1(c(cccc1)Cl)Cl
Records:101:124 Back