1.0 2016-05-19 05:04:05 UTC 2026-08-22 10:48:21 UTC C.I. Pigment Yellow 12 SmallMolecule C.I. Pigment Yellow 12 is an organic compound with the chemical formula C32H26Cl2N6O4. C.I. Pigment Yellow 12 belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 629.50 g/mol, C.I. Pigment Yellow 12 is a heavy molecule. In industrial applications, it serves as both a dye and a pigment. The compound has been detected in 20 recorded sources across various sectors. In the context of drinking water and water supply, it is found in tap water, bottled water, desalinated water, and drinking water. It is present in aquatic systems and sediments, including seawater, freshwater, groundwater, and surface water. Within the sector of wastewater, sanitation, and biosolids, it is identified in wastewater, industrial wastewater, mine wastewater, and wastewater treatment effluent. Additionally, it is found in agriculture and land management via irrigation water, and in marine, shipping, and aquaculture through bilge water and ballast water. The compound is also associated with appliances, HVAC, and refrigerants, specifically in water heaters and water coolers, along with three other sectors. Recorded exposure routes for C.I. Pigment Yellow 12 include oral, inhalation, and touch. PMT 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide] C32H26Cl2N6O4 629.5 628.1392587 2-[2-(3,3'-dichloro-4'-{2-[2-oxo-1-(phenyl-C-hydroxycarbonimidoyl)propyl]diazen-1-yl}-[1,1'-biphenyl]-4-yl)diazen-1-yl]-3-oxo-N-phenylbutanimidic acid 2-[2-(3,3'-dichloro-4'-{2-[2-oxo-1-(phenyl-C-hydroxycarbonimidoyl)propyl]diazen-1-yl}-[1,1'-biphenyl]-4-yl)diazen-1-yl]-3-oxo-N-phenylbutanimidic acid 6358-85-6 CC(=O)C(N=NC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(C=C1)N=NC(C(C)=O)C(O)=NC1=CC=CC=C1)C(O)=NC1=CC=CC=C1 InChI=1S/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44) GNCOVOVCHIHPHP-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives 3,3'-disubstituted benzidines Aryl chlorides Azo compounds Beta-hydroxy ketones Carboximidic acids Chlorobenzenes Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Polychlorinated biphenyls Propargyl-type 1,3-dipolar organic compounds 3,3'-disubstituted benzidine Aromatic homomonocyclic compound Aryl chloride Aryl halide Azo compound Beta-hydroxy ketone Carbonyl group Carboximidic acid Carboximidic acid derivative Chlorinated biphenyl Chlorobenzene Halobenzene Hydrocarbon derivative Ketone Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polychlorinated biphenyl Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 8.1 logp 6.43 ALOGPS logs -5.72 ALOGPS solubility 1.20e-03 g/l ALOGPS logp 8.75 ChemAxon pka_strongest_acidic 0.46 ChemAxon pka_strongest_basic 1.77 ChemAxon iupac 2-[2-(3,3'-dichloro-4'-{2-[2-oxo-1-(phenyl-C-hydroxycarbonimidoyl)propyl]diazen-1-yl}-[1,1'-biphenyl]-4-yl)diazen-1-yl]-3-oxo-N-phenylbutanimidic acid ChemAxon average_mass 629.5 ChemAxon mono_mass 628.1392587 ChemAxon smiles CC(=O)C(N=NC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(C=C1)N=NC(C(C)=O)C(O)=NC1=CC=CC=C1)C(O)=NC1=CC=CC=C1 ChemAxon formula C32H26Cl2N6O4 ChemAxon inchi InChI=1S/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44) ChemAxon inchikey GNCOVOVCHIHPHP-UHFFFAOYSA-N ChemAxon polar_surface_area 148.76 ChemAxon refractivity 175.15 ChemAxon polarizability 64.97 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 10 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72678b94e0> 186342 161985