CAS Chem.name Chem.SMILES #Observed Mutagenicity without S9 #Observed Mutagenicity with S9 Bioassay - Reference(s) - 69314-47-2 3-Methyl-4-Nitro-Biphenyl Cc1cc(ccc1[N+]([O-])=O)-c1ccccc1 in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 100-14-1 P-Nitrobenzyl_Chloride [O-][N+](=O)c1ccc(CCl)cc1 in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 121-14-2 2,4-Dinitrotoluene_(Purified) Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 121-88-0 2-Amino-5-Nitrophenol Nc1ccc(cc1O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 121-90-4 M-Nitrobenzoyl_Chloride [O-][N+](=O)c1cccc(c1)C(Cl)=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 121-92-6 M-Nitrobenzoic_Acid OC(=O)c1cccc(c1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 122-04-3 P-Nitrobenzoyl_Chloride [O-][N+](=O)c1ccc(cc1)C(Cl)=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 1777-84-0 3-Nitro-P-Acetophenetide CCOc1ccc(NC(C)=O)cc1[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 52551-67-4 Hc_Yellow_4 OCCN(CCO)c1ccc(cc1O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 5307-14-2 2-Nitro-P-Phenylenediamine Nc1ccc(N)c(c1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 612-23-7 O-Nitrobenzyl_Chloride [O-][N+](=O)c1ccccc1CCl in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 619-17-0 4-Nitroanthranilic_Acid Nc1cc(ccc1C(O)=O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 619-23-8 M-Nitrobenzyl_Chloride [O-][N+](=O)c1cccc(CCl)c1 in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 62-23-7 P-Nitrobenzoic_Acid OC(=O)c1ccc(cc1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 91-23-6 2-Nitroanisole; O-Nitroanisole COc1ccccc1[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 96-91-3 2-Amino-4,6-Dinitrophenol Nc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 97-32-5 4-Methoxy-3-Nitro-N-Phenylbenzamide COc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccccc1 in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 99-55-8 5-Nitro-O-Toluidine Cc1ccc(cc1N)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 99-56-9 4-Nitro-O-Phenylenediamine Nc1ccc(cc1N)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 99-59-2 5-Nitro-O-Anisidine COc1ccc(cc1N)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 100-17-4 4-Nitroanisole COc1ccc(cc1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 6471-49-4 Pigment_Red_23 COc1ccc(cc1N=Nc1c(O)c(cc2ccccc12)C(=O)Nc1cccc(c1)[N+]([O-])=O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 100-01-6 P-Nitroaniline Nc1ccc(cc1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 119-34-6 4-Amino-2-Nitrophenol Nc1ccc(O)c(c1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 5466-84-2 4-Nitrophthalic_Anhydride [O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1 in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 554-84-7 M-Nitrophenol Oc1cccc(c1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 6358-07-2 2-Amino-4-Chloro-5-Nitrophenol Nc1cc(Cl)c(cc1O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 100-16-3 4-Nitrophenylhydrazine NNc1ccc(cc1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 584-48-5 1-bromo-2,4-dinitrobenzene [O-][N+](=O)c1ccc(Br)c(c1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 19881-18-6 Nitroscanate [O-][N+](=O)c1ccc(Oc2ccc(cc2)N=C=S)cc1 in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 456-27-9 Benzenediazonium,_4-nitro-,_tetrafluoroborate(1-) F[B-](F)(F)F.[O-][N+](=O)c1ccc(cc1)[N+]#N in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) MERSCH-SUNDERMANN,V AND KRAEMER,H; ZENTRALBL. HYG. UMWELTMED. 193(5):471-480, 1993 97-52-9 benzenamine,_2-methoxy-4-nitro- COc1cc(ccc1N)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) NIHS Japan 99-09-2 m-nitroaniline Nc1cccc(c1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) NIHS Japan 88-89-1 Trinitrophenol, Picric acid Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) NIHS Japan 61841-39-2 3-Nitrobenzidine Nc1ccc(cc1)-c1ccc(N)c(c1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) YOU,Z, BREZZELL,MD, DAS,SK, ESPADAS-TORRE,MC, HOOBERMAN,BH AND SINSHEIMER,JE; ORTHO-SUBSTITUENT EFFECTS ON THE IN VITRO AND IN VIVO GENOTOXICITY OF BENZIDINE DERIVATIVES; MUTAT. RES. 319(1):19-30, 1993 99-99-0 4-Nitrotoluene Cc1ccc(cc1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 62625-14-3 Phenol, 2-amino-6-chloro-4-nitro-, hydrochloride (1:1) [Cl-].[N+H3]c1cc(cc(Cl)c1O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 56413-75-3 o-Nitrophenylhydrazine hydrochloride Cl.NNc1ccccc1[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 552-16-9 Benzoic acid, 2-nitro- OC(=O)c1ccccc1[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 59283-76-0 2-Hydroxylamino-4,6-dinitrotoluene Cc1c(NO)cc(cc1[N+]([O-])=O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 1836-75-5 Nitrofen [O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 5131-58-8 4-Nitro-1,3-benzenediamine Nc1ccc(c(N)c1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 7227-92-1 1-(4-Nitrophenyl)-3,3-dimethyltriazene CN(C)N=Nc1ccc(cc1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Cerna, M., Lepsi, P., Rossner, P. and Pohlova, H.; Mutagenicity of Some Substituted 1-Phenyl-3,3-Dimethyltriazenes. I. The Salmonella/Mammalian Microsome Assay and Repair Test; Mutat. Res. 190(3):177-182, 1987 99-57-0 2-Amino-4-Nitrophenol Nc1cc(ccc1O)[N+]([O-])=O in vitro Ames negative in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 298-00-0 Methyl parathion COP(=S)(OC)Oc1ccc(cc1)[N+]([O-])=O in vitro Ames negative in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 606-20-2 2,6-dinitrotoluene Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) KAWAI,A, GOTO,S, MATSUMOTO,Y AND MATSUSHITA,H; MUTAGENICITY OF ALIPHATIC AND AROMATIC NITRO COMPOUNDS; SANGYO IGAKU 29(1):34-55, 1987 122-14-5 Fenitrothion COP(=S)(OC)Oc1ccc(c(C)c1)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Kirkland et. al. Can in vitro mammalian cell genotoxicity test results be used to complement positive results in the Ames test and help predict carcinogenic or in vivo genotoxic activity? I. Reports of individual databases presented at an EURL ECVAM Workshop, Mutat. Res., 2014, (775-776), 55-68 88-74-4 2-Nitroaniline Nc1ccccc1[N+]([O-])=O in vitro Ames negative in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) D. Kirkland, L. Reeve, D. Gatehouse, P. Vanparys, A core in vitro genotoxicity battery comprising the Ames test plus the in vitro micronucleus test is sufficient to detect rodent carcinogens and in vivo genotoxins, Mutat. Res. 721 (2011) 27-73. 2243-78-9 2-nitrobenzidine Nc1ccc(cc1)-c1ccc(N)cc1[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) You,Z, Brezzell,Md, Das,Sk, ESPADAS-TORRE,MC, HOOBERMAN,BH AND SINSHEIMER,JE; ORTHO-SUBSTITUENT EFFECTS ON THE IN VITRO AND IN VIVO GENOTOXICITY OF BENZIDINE DERIVATIVES; MUTAT. RES. 319(1):19-30, 1993 1065519-44-9 butanamide, n-[4-[[[3-(dimethylamino)propyl]amino]sulfonyl]phenyl]-2-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-oxo- COc1cc(ccc1N=NC(C(C)=O)C(=O)Nc1ccc(cc1)S(=O)(=O)NCCCN(C)C)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) N-(4-{[3-(Dimethylamino)propyl]sulfamoyl}phenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide, CAS No 1065519-44-9. ECHA Legal notice, Registration dossier. http://echa.europa.eu/registration-dossier/-/registered-dossier/1176 39300-45-3 Dinocap CC=CC(=O)Oc1c(cc(cc1C(C)(C)CC(C)(C)C)[N+]([O-])=O)[N+]([O-])=O in vitro Ames positive in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) MORIYA,M OHTA,T WATANABE,K MIYAZAWA,T KATO,K AND SHIRASU,Y; FURTHER MUTAGENICITY STUDIES ON PESTICIDES IN BACTERIAL REVERSION ASSAY SYSTEMS; MUTAT. RES. 116(3-4):185-216,1982 51-28-5 2,4-Dinitro-phenol Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 81-14-1 Musk ketone CC(=O)c1c(C)c(c(c(c1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 88-72-2 2-Nitrotoluene Cc1ccccc1[N+]([O-])=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 98-95-3 Nitrobenzene [O-][N+](=O)c1ccccc1 in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 99-08-1 3-Nitrotoluene Cc1cccc(c1)[N+]([O-])=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 100-02-7 4-Nitrophenol Oc1ccc(cc1)[N+]([O-])=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 2438-88-2 2,3,5,6-Tetrachloro-4-Nitroanisole COc1c(Cl)c(Cl)c(c(Cl)c1Cl)[N+]([O-])=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 6358-31-2 C.I. Pigment Yellow 74 COc1ccccc1NC(=O)C(N=Nc1ccc(cc1OC)[N+]([O-])=O)C(C)=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 2581-34-2 4-Nitro-3-Cresol Cc1cc(O)ccc1[N+]([O-])=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) NIHS Japan 88-85-7 Dinoseb CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) NIHS Japan 824-78-2 P-Nitrophenol Sodium Salt [Na+].[O-]c1ccc(cc1)[N+]([O-])=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) NIHS Japan 6528-34-3 butanamide, 2-[(4-methoxy-2-nitrophenyl)azo]-n-(2-methoxyphenyl)-3-oxo- COc1ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2OC)c(c1)[N+]([O-])=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) 2-[(4-Methoxy-2-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxobutyramide, CAS No 6528-34-3. ECHA Legal notice, Registration dossier. http://echa.europa.eu/registration-dossier/-/registered-dossier/5965/1 15993-42-7 butanamide, n-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxo- COc1ccc(Cl)cc1NC(=O)C(N=Nc1ccc(cc1OC)[N+]([O-])=O)C(C)=O in vitro Ames negative in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutyramide, CAS No 15993-42-7. ECHA Legal notice, Registration dossier. http://echa.europa.eu/registration-dossier/-/registered-dossier/10410