1.0 2016-05-19 03:57:31 UTC 2026-08-22 11:52:33 UTC Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo- SmallMolecule Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo- belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 685.61 g/mol, Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo- is a heavy molecule. This compound, which has the chemical formula C36H34Cl2N6O4, is used industrially as a pigment and a dye. The substance has been identified in 26 recorded sources across multiple sectors. Within building and construction, it is found in stairs and ramps, fencing, waterproofing sprays, and sunshades awnings or outside screens. It is detected in drinking water and water supply sources, including tap water, bottled water, desalinated water, and drinking water. In aquatic systems and sediments, the compound is present in freshwater, seawater, surface water, and groundwater. It is also found in wastewater, sanitation, and biosolids, specifically in wastewater, unspecified, mine wastewater, industrial wastewater, and wastewater treatment effluent. Additionally, it is recorded in electrical and electronic equipment such as thin magnetic films, magnets, and antennas, as well as in appliances, HVAC, and refrigerants including water heaters and water coolers, among three other sectors. Recorded exposure routes for this compound include oral, inhalation, and touch. PMT 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutyramide] Pigment Yellow 13 C36H34Cl2N6O4 685.61 684.201859 2-{2-[3,3'-dichloro-4'-(2-{1-[(2,4-dimethylphenyl)-C-hydroxycarbonimidoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(2,4-dimethylphenyl)-3-oxobutanimidic acid 2-{2-[3,3'-dichloro-4'-(2-{1-[(2,4-dimethylphenyl)-C-hydroxycarbonimidoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(2,4-dimethylphenyl)-3-oxobutanimidic acid 5102-83-0 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=C(C)C=C(C)C=C1)C(O)=NC1=C(C)C=C(C)C=C1 InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48) IAFBRPFISOTXSO-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 m-Xylenes 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 M-xylene 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 Xylene Aromatic homomonocyclic compounds Detected and Not Quantified logp 9.5 logp 7.04 ALOGPS logs -6.00 ALOGPS solubility 6.84e-04 g/l ALOGPS logp 10.64 ChemAxon pka_strongest_acidic 0.11 ChemAxon pka_strongest_basic 2.58 ChemAxon iupac 2-{2-[3,3'-dichloro-4'-(2-{1-[(2,4-dimethylphenyl)-C-hydroxycarbonimidoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(2,4-dimethylphenyl)-3-oxobutanimidic acid ChemAxon average_mass 685.61 ChemAxon mono_mass 684.201859 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=C(C)C=C(C)C=C1)C(O)=NC1=C(C)C=C(C)C=C1 ChemAxon formula C36H34Cl2N6O4 ChemAxon inchi InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48) ChemAxon inchikey IAFBRPFISOTXSO-UHFFFAOYSA-N ChemAxon polar_surface_area 148.76 ChemAxon refractivity 195.32 ChemAxon polarizability 73.42 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:0x00007f3bf38a2a88> 73462 66158