1.0 2016-06-03 12:06:58 UTC 2026-08-22 11:25:16 UTC 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methylphenyl)-3-oxobutyramide] SmallMolecule 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methylphenyl)-3-oxobutyramide]] 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, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methylphenyl)-3-oxobutyramide] is a heavy molecule. This compound, which has the formula C34H30Cl2N6O4, is used as an industrial pigment. The substance has been identified in 19 recorded sources. Within aquatic systems and sediments, it is found in seawater, freshwater, surface water, and groundwater. It is also present in drinking water and water supply sources, including tap water, bottled water, and desalinated water. In the sector of wastewater, sanitation, and biosolids, the compound appears in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. Additionally, it is found in agriculture and land management through irrigation water, and in marine, shipping, and aquaculture sources such as bilge water and ballast water. The compound is also associated with appliances, HVAC, and refrigerants, specifically in water heaters and water coolers. Recorded routes of exposure for this compound include touch, inhalation, and oral ingestion. PMT C34H30Cl2N6O4 657.55 656.1705589 2-{2-[3,3'-dichloro-4'-(2-{1-[(4-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(4-methylphenyl)-3-oxobutanamide 2-{2-[3,3'-dichloro-4'-(2-{1-[(4-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(4-methylphenyl)-3-oxobutanamide 6358-37-8 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=C(C)C=C1)C(=O)NC1=CC=C(C)C=C1 InChI=1S/C34H30Cl2N6O4/c1-19-5-11-25(12-6-19)37-33(45)31(21(3)43)41-39-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)40-42-32(22(4)44)34(46)38-26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46) UCUHCYVCVYRSER-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives 3,3'-disubstituted benzidines 1,3-dicarbonyl compounds Alpha amino acid amides Anilides Aryl chlorides Azo compounds Chlorobenzenes Fatty amides Hydrocarbon derivatives Ketones N-arylamides Organic oxides Organochlorides Organopnictogen compounds Polychlorinated biphenyls Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Toluenes 1,3-dicarbonyl compound 3,3'-disubstituted benzidine Alpha-amino acid amide Alpha-amino acid or derivatives Anilide Aromatic homomonocyclic compound Aryl chloride Aryl halide Azo compound Carbonyl group Carboxamide group Carboxylic acid derivative Chlorinated biphenyl Chlorobenzene Fatty acyl Fatty amide Halobenzene Hydrocarbon derivative Ketone N-arylamide 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 Secondary carboxylic acid amide Toluene Aromatic homomonocyclic compounds Detected and Not Quantified logp 8.8 logp 6.78 ALOGPS logs -6.23 ALOGPS solubility 3.87e-04 g/l ALOGPS logp 8.96 ChemAxon pka_strongest_acidic 12.65 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac 2-{2-[3,3'-dichloro-4'-(2-{1-[(4-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(4-methylphenyl)-3-oxobutanamide 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=C(C)C=C1)C(=O)NC1=CC=C(C)C=C1 ChemAxon formula C34H30Cl2N6O4 ChemAxon inchi InChI=1S/C34H30Cl2N6O4/c1-19-5-11-25(12-6-19)37-33(45)31(21(3)43)41-39-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)40-42-32(22(4)44)34(46)38-26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46) ChemAxon inchikey UCUHCYVCVYRSER-UHFFFAOYSA-N ChemAxon polar_surface_area 141.78 ChemAxon refractivity 183.73 ChemAxon polarizability 70.47 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226a728b8> 110824 99473