CAS Chem.name Chem.SMILES #CA_without_S9 #Obs_CA_with_S9 Bioassay - Reference(s) - 584-84-9 Toluene 2,4-diisocyanate Cc1ccc(N=C=O)cc1N=C=O negative negative in Vitro Mammalian Chromosome Aberration Test GULATI,DK. et al; CHROMOSOME ABERRATION AND SISTER CHROMATID EXCHANGE TESTS IN CHINESE HAMSTER OVARY CELLS IN VITRO. III: RESULTS WITH 27 CHEMICALS; ENVIRON. MOL. MUTAGEN. 13(2):133-193, 1989 5124-30-1 Methylene bis(4-cyclohexylisocyanate) O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1 negative negative in Vitro Mammalian Chromosome Aberration Test http://apps.echa.europa.eu/registered/data/dossiers/DISS-9eb6a35e-0589-3c9d-e044-00144f67d031/AGGR-0b757e65-5d40-447f-98aa-2f70a53f789a_DISS-9eb6a35e-0589-3c9d-e044-00144f67d031.html#ADMIN_DATA 556-61-6 Isothiocyanatomethane CN=C=S positive positive in Vitro Mammalian Chromosome Aberration Test NIHS Japan 91-08-7 2,6-Toluene diisocyanate Cc1c(N=C=O)cccc1N=C=O positive positive in Vitro Mammalian Chromosome Aberration Test GULATI,DK.et al; III: RESULTS WITH 27 CHEMICALS; ENVIRON. MOL. MUTAGEN. 13(2):133-193, 1989; JAPAN CHEMICAL INDUSTRY ECOLOGY- TOXICOLOGY AND INFORMATION CENTER, JAPAN; MUTAGENICITY TEST DATA OF EXISTING CHEMICAL SUBSTANCES BASED ON THE TOXICITY INVESTIGATION OF THE INDUSTRIAL SAFETY AND HEALTH LAW; 1996 624-83-9 Methyl isocyanate CN=C=O positive positive in Vitro Mammalian Chromosome Aberration Test Mason J., E. Zeiger, et al., Environmental Mutagenesis, 9,9-18, 1987. 4098-71-9 Isophorone diisocyanate CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1 positive positive in Vitro Mammalian Chromosome Aberration Test CAS 4098-71-9, Isophorone diisocyanate, ECHA, Registration dossier, Exp. Key toxicity in vitro.003, report 2003. 91-97-4 Bitolylene diisocyanate Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O positive positive in Vitro Mammalian Chromosome Aberration Test Japan Chemical Industry Ecology Toxicology & Information Center, Japan (JETOC), Mutagenicity Test Data of Existing Chemical Substances, 1995/12/31; Test guideline equivalent or similar to OECD Guideline 473 (In vitro Mammalian Chromosome Aberration Test) and EU Method B.10 (Mutagenicity - In Vitro Mammalian Chromosome Aberration Test); http://apps.echa.europa.eu/registered/data/dossiers/DISS-9d9568c1-3c26-0b72-e044-00144f67d249/AGGR-6ce1eaf3-4cda-40c4-93ac-8c7f98960912_DISS-9d9568c1-3c26-0b72-e044-00144f67d249.html#GEN_RESULTS_HD 3173-72-6 1,5-Naphthylene di-isocyanate O=C=Nc1cccc2c1cccc2N=C=O positive positive in Vitro Mammalian Chromosome Aberration Test http://apps.echa.europa.eu/registered/data/dossiers/DISS-9eae8ee0-1090-7128-e044-00144f67d031/AGGR-a18c1776-bdbc-442a-9d5a-b7b4f2e04d68_DISS-9eae8ee0-1090-7128-e044-00144f67d031.html#GEN_RESULTS_HD