1.0 2016-06-03 12:58:30 UTC 2026-08-18 16:42:06 UTC benzidine-2,2'-disulphonic acid SmallMolecule Benzidine-2,2'-disulphonic acid is an organic compound with the formula C12H12N2O6S2 and an average molecular weight of 344.36 g/mol. benzidine-2,2'-disulphonic acid belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. The compound is found in or released from 23 recorded sources. Within aquatic systems and sediments, it is present in seawater, freshwater, surface water, and groundwater. It is also detected in drinking water and water supply sources, including tap water, bottled water, desalinated water, and drinking water. In the sector of wastewater, sanitation, and biosolids, it is found in wastewater, unspecified wastewater, mine wastewater, industrial wastewater, and wastewater treatment effluent. Additionally, the substance is associated with marine, shipping, and aquaculture through bilge water and ballast water. In the realm of electrical and electronic equipment, it is linked to electrodes, fixed capacitors and their manufacture, and conductors or conductive bodies characterised by the conductive materials. It is also found in appliances, HVAC, and refrigerants, specifically in water heaters and water coolers, as well as in four more sectors. Recorded exposure routes for this compound include oral, inhalation, and touch. PMT C12H12N2O6S2 344.36 344.013678462 4,4'-diamino-[1,1'-biphenyl]-2,2'-disulfonic acid 4,4'-diamino-[1,1'-biphenyl]-2,2'-disulfonic acid 117-61-3 NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)S(O)(=O)=O)S(O)(=O)=O InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20) MBJAPGAZEWPEFB-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Benzidines 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organosulfonic acids Primary amines Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Amine Aniline or substituted anilines Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Benzidine Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Primary amine Sulfonyl Aromatic homomonocyclic compounds Detected and Not Quantified logp -0.3 logp -2.04 ALOGPS logs -2.84 ALOGPS solubility 4.95e-01 g/l ALOGPS logp -0.12 ChemAxon pka_strongest_acidic -3.8 ChemAxon pka_strongest_basic 3.47 ChemAxon iupac 4,4'-diamino-[1,1'-biphenyl]-2,2'-disulfonic acid ChemAxon average_mass 344.36 ChemAxon mono_mass 344.013678462 ChemAxon smiles NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)S(O)(=O)=O)S(O)(=O)=O ChemAxon formula C12H12N2O6S2 ChemAxon inchi InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20) ChemAxon inchikey MBJAPGAZEWPEFB-UHFFFAOYSA-N ChemAxon polar_surface_area 160.78 ChemAxon refractivity 81.84 ChemAxon polarizability 30.86 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bafc4ece8> 8337 8034