1.0 2016-05-19 05:03:59 UTC 2026-08-22 11:52:22 UTC Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo- SmallMolecule Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-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 818.49 g/mol, Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo- is a heavy molecule. It has the chemical formula C36H32Cl4N6O8. In industrial settings, this compound serves as a dye and pigment, as well as a processing aid not otherwise specified. It is also identified as an industrial degradant or impurity. The compound has been recorded in 19 different sources. These include drinking water and water supply sources such as tap water, bottled water, desalinated water, and drinking water. It is found in aquatic systems and sediments, including freshwater, seawater, surface water, and groundwater. Wastewater, sanitation, and biosolids sources include wastewater, mine wastewater, industrial wastewater, and wastewater treatment effluent. Additionally, it is found in marine, shipping, and aquaculture sources like bilge water and ballast water, as well as in irrigation water used in agriculture and land management. The compound is also associated with HVAC and appliances, specifically water heaters and water coolers. Exposure to this substance may occur through oral, inhalation, or touch routes. PMT 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutyramide] C36H32Cl4N6O8 818.49 816.1035728 N-(4-chloro-2,5-dimethoxyphenyl)-2-{2-[3,3'-dichloro-4'-(2-{1-[(4-chloro-2,5-dimethoxyphenyl)-C-hydroxycarbonimidoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-3-oxobutanimidic acid N-(4-chloro-2,5-dimethoxyphenyl)-2-{2-[3,3'-dichloro-4'-(2-{1-[(4-chloro-2,5-dimethoxyphenyl)-C-hydroxycarbonimidoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-3-oxobutanimidic acid 5567-15-7 COC1=CC(N=C(O)C(N=NC2=C(Cl)C=C(C=C2)C2=CC(Cl)=C(C=C2)N=NC(C(C)=O)C(O)=NC2=C(OC)C=C(Cl)C(OC)=C2)C(C)=O)=C(OC)C=C1Cl InChI=1S/C36H32Cl4N6O8/c1-17(47)33(35(49)41-27-15-29(51-3)23(39)13-31(27)53-5)45-43-25-9-7-19(11-21(25)37)20-8-10-26(22(38)12-20)44-46-34(18(2)48)36(50)42-28-16-30(52-4)24(40)14-32(28)54-6/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50) NKXPXRNUMARIMZ-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Keto acids and derivatives Beta-keto acids and derivatives Beta-keto acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Ketones Organic oxides 1,3-dicarbonyl compound Aliphatic acyclic compound Beta-keto acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Detected and Not Quantified logp 9.2 logp 6.82 ALOGPS logs -6.02 ALOGPS solubility 7.87e-04 g/l ALOGPS logp 9.96 ChemAxon pka_strongest_acidic 1.12 ChemAxon pka_strongest_basic -0.82 ChemAxon iupac N-(4-chloro-2,5-dimethoxyphenyl)-2-{2-[3,3'-dichloro-4'-(2-{1-[(4-chloro-2,5-dimethoxyphenyl)-C-hydroxycarbonimidoyl]-2-oxopropyl}diazen-1-yl)-[1,1'-biphenyl]-4-yl]diazen-1-yl}-3-oxobutanimidic acid ChemAxon average_mass 818.49 ChemAxon mono_mass 816.1035728 ChemAxon smiles COC1=CC(N=C(O)C(N=NC2=C(Cl)C=C(C=C2)C2=CC(Cl)=C(C=C2)N=NC(C(C)=O)C(O)=NC2=C(OC)C=C(Cl)C(OC)=C2)C(C)=O)=C(OC)C=C1Cl ChemAxon formula C36H32Cl4N6O8 ChemAxon inchi InChI=1S/C36H32Cl4N6O8/c1-17(47)33(35(49)41-27-15-29(51-3)23(39)13-31(27)53-5)45-43-25-9-7-19(11-21(25)37)20-8-10-26(22(38)12-20)44-46-34(18(2)48)36(50)42-28-16-30(52-4)24(40)14-32(28)54-6/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50) ChemAxon inchikey NKXPXRNUMARIMZ-UHFFFAOYSA-N ChemAxon polar_surface_area 185.68 ChemAxon refractivity 210.62 ChemAxon polarizability 81.05 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 14 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf16aa0c0> 21733 20428