1.0 2016-05-19 04:01:17 UTC 2026-08-22 11:25:17 UTC Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxo- SmallMolecule Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-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 657.55 g/mol, Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxo- is a heavy molecule. This compound, which has the chemical formula C34H30Cl2N6O4, is utilized as an industrial pigment. The compound has been identified in 20 recorded sources across various sectors. Within drinking water and water supply systems, it is found in tap water, bottled water, desalinated water, and drinking water. It occurs in aquatic systems and sediments, including seawater, freshwater, surface water, and groundwater. In the area of wastewater, sanitation, and biosolids, it is present in wastewater, unspecified wastewater, mine wastewater, industrial wastewater, and wastewater treatment effluent. Additionally, it is found in appliances, HVAC, and refrigerants such as water heaters and water coolers, as well as in marine, shipping, and aquaculture sources including bilge water and ballast water. It is also recorded in irrigation water used in agriculture and land management, along with three other sectors. Recorded exposure routes for this substance include oral, inhalation, and touch. PMT 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide] C34H30Cl2N6O4 657.55 656.1705589 2-{2-[3,3'-dichloro-4'-(2-{1-[(2-methylphenyl)-C-hydroxycarbonimidoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(2-methylphenyl)-3-oxobutanimidic acid 2-{2-[3,3'-dichloro-4'-(2-{1-[(2-methylphenyl)-C-hydroxycarbonimidoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(2-methylphenyl)-3-oxobutanimidic acid 5468-75-7 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=C1C)C(O)=NC1=CC=CC=C1C InChI=1S/C34H30Cl2N6O4/c1-19-9-5-7-11-27(19)37-33(45)31(21(3)43)41-39-29-15-13-23(17-25(29)35)24-14-16-30(26(36)18-24)40-42-32(22(4)44)34(46)38-28-12-8-6-10-20(28)2/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46) LQZFGPJGXVFSTR-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 Toluenes 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 Toluene Aromatic homomonocyclic compounds Detected and Not Quantified logp 8.8 logp 6.73 ALOGPS logs -5.85 ALOGPS solubility 9.29e-04 g/l ALOGPS logp 9.75 ChemAxon pka_strongest_acidic 0.56 ChemAxon pka_strongest_basic 1.86 ChemAxon iupac 2-{2-[3,3'-dichloro-4'-(2-{1-[(2-methylphenyl)-C-hydroxycarbonimidoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(2-methylphenyl)-3-oxobutanimidic acid ChemAxon average_mass 657.55 ChemAxon mono_mass 656.1705589 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=C1C)C(O)=NC1=CC=CC=C1C ChemAxon formula C34H30Cl2N6O4 ChemAxon inchi InChI=1S/C34H30Cl2N6O4/c1-19-9-5-7-11-27(19)37-33(45)31(21(3)43)41-39-29-15-13-23(17-25(29)35)24-14-16-30(26(36)18-24)40-42-32(22(4)44)34(46)38-28-12-8-6-10-20(28)2/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46) ChemAxon inchikey LQZFGPJGXVFSTR-UHFFFAOYSA-N ChemAxon polar_surface_area 148.76 ChemAxon refractivity 185.24 ChemAxon polarizability 68.83 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:0x00007f7226bc97e8> 93006 83959