1.0 2016-06-03 12:13:00 UTC 2026-08-22 11:52:40 UTC 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-ethoxyphenyl)-3-oxobutyramide] SmallMolecule 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-ethoxyphenyl)-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 717.60 g/mol, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-ethoxyphenyl)-3-oxobutyramide] is a heavy molecule. It has the chemical formula C36H34Cl2N6O6. This compound is found in or released from 19 recorded sources. Within aquatic systems and sediments, it is present in seawater, freshwater, surface water, and groundwater. It is also identified in drinking water and water supply sources, including bottled water, tap water, desalinated water, and drinking water. In the sectors of wastewater, sanitation, and biosolids, the compound is found in unspecified wastewater, industrial wastewater, mine wastewater, and wastewater treatment effluent. Further sources include agriculture and land management via irrigation water, and marine, shipping, and aquaculture through bilge water and ballast water. Additionally, the compound is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers, as well as two other sectors. Recorded exposure routes for this substance include oral, inhalation, and touch. PMT C36H34Cl2N6O6 717.6 716.1916882 2-{2-[3,3'-dichloro-4'-(2-{1-[(4-ethoxyphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(4-ethoxyphenyl)-3-oxobutanamide 2-{2-[3,3'-dichloro-4'-(2-{1-[(4-ethoxyphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(4-ethoxyphenyl)-3-oxobutanamide 31775-20-9 CCOC1=CC=C(NC(=O)C(N=NC2=C(Cl)C=C(C=C2)C2=CC(Cl)=C(C=C2)N=NC(C(C)=O)C(=O)NC2=CC=C(OCC)C=C2)C(C)=O)C=C1 InChI=1S/C36H34Cl2N6O6/c1-5-49-27-13-9-25(10-14-27)39-35(47)33(21(3)45)43-41-31-17-7-23(19-29(31)37)24-8-18-32(30(38)20-24)42-44-34(22(4)46)36(48)40-26-11-15-28(16-12-26)50-6-2/h7-20,33-34H,5-6H2,1-4H3,(H,39,47)(H,40,48) LNBRYDZEIVHGHO-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives 3,3'-disubstituted benzidines 1,3-dicarbonyl compounds Alkyl aryl ethers Alpha amino acid amides Anilides Aryl chlorides Azo compounds Chlorobenzenes Fatty amides Hydrocarbon derivatives Ketones N-arylamides Organic oxides Organochlorides Organopnictogen compounds Phenol ethers Phenoxy compounds Polychlorinated biphenyls Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides 1,3-dicarbonyl compound 3,3'-disubstituted benzidine Alkyl aryl ether 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 Ether 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 Phenol ether Phenoxy compound Polychlorinated biphenyl Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Aromatic homomonocyclic compounds Detected and Not Quantified logp 8.7 logp 7.22 ALOGPS logs -6.11 ALOGPS solubility 5.60e-04 g/l ALOGPS logp 8.33 ChemAxon pka_strongest_acidic 12.83 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 2-{2-[3,3'-dichloro-4'-(2-{1-[(4-ethoxyphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-N-(4-ethoxyphenyl)-3-oxobutanamide ChemAxon average_mass 717.6 ChemAxon mono_mass 716.1916882 ChemAxon smiles CCOC1=CC=C(NC(=O)C(N=NC2=C(Cl)C=C(C=C2)C2=CC(Cl)=C(C=C2)N=NC(C(C)=O)C(=O)NC2=CC=C(OCC)C=C2)C(C)=O)C=C1 ChemAxon formula C36H34Cl2N6O6 ChemAxon inchi InChI=1S/C36H34Cl2N6O6/c1-5-49-27-13-9-25(10-14-27)39-35(47)33(21(3)45)43-41-31-17-7-23(19-29(31)37)24-8-18-32(30(38)20-24)42-44-34(22(4)46)36(48)40-26-11-15-28(16-12-26)50-6-2/h7-20,33-34H,5-6H2,1-4H3,(H,39,47)(H,40,48) ChemAxon inchikey LNBRYDZEIVHGHO-UHFFFAOYSA-N ChemAxon polar_surface_area 160.24 ChemAxon refractivity 196.07 ChemAxon polarizability 76.7 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 10 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225d34110> 169360 148117