1.0 2016-05-19 02:34:11 UTC 2026-08-23 12:20:47 UTC 3-Chloroaniline SmallMolecule 3-Chloroaniline is an organic compound with the chemical formula C6H6ClN and an average molecular weight of 127.57 g/mol. 3-Chloroaniline belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. This substance is found in or released from 27 recorded sources across various sectors. These sources include electrical and electronic equipment, such as antennas, auxiliary devices, electrodes, fixed capacitors and their manufacture, as well as conductors or conductive bodies characterised by the conductive materials. It is detected in drinking water and water supply systems, including tap water, bottled water, and desalinated water. Additionally, it is present in aquatic systems and sediments, including freshwater, seawater, surface water, and groundwater. Wastewater, sanitation, and biosolids sectors also report its presence in unspecified wastewater, mine wastewater, industrial wastewater, and wastewater treatment effluent. Other recorded sources include water heaters and water coolers within the appliances, HVAC, and refrigerants sector, as well as bilge water and ballast water from marine, shipping, and aquaculture operations, among five more sectors. Recorded exposure routes for 3-Chloroaniline include inhalation, oral, and touch. PMT 2-chloroaniline 2-Chloroaniline C6H6ClN 127.57 127.0188769 2-chloroaniline 2-chloroaniline 108-42-9 NC1=CC=CC=C1Cl InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2 AKCRQHGQIJBRMN-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Aniline and substituted anilines Aniline and substituted anilines Aryl chlorides Chlorobenzenes Hydrocarbon derivatives Organochlorides Organopnictogen compounds Primary amines Amine Aniline or substituted anilines Aromatic homomonocyclic compound Aryl chloride Aryl halide Chlorobenzene Halobenzene Hydrocarbon derivative Organic nitrogen compound Organochloride Organohalogen compound Organonitrogen compound Organopnictogen compound Primary amine Aromatic homomonocyclic compounds Detected and Not Quantified logp 1.9 logp 1.93 ALOGPS logs -1.40 ALOGPS solubility 5.04e+00 g/l ALOGPS logp 1.75 ChemAxon pka_strongest_basic 2.79 ChemAxon iupac 2-chloroaniline ChemAxon average_mass 127.57 ChemAxon mono_mass 127.0188769 ChemAxon smiles NC1=CC=CC=C1Cl ChemAxon formula C6H6ClN ChemAxon inchi InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2 ChemAxon inchikey AKCRQHGQIJBRMN-UHFFFAOYSA-N ChemAxon polar_surface_area 26.02 ChemAxon refractivity 35.56 ChemAxon polarizability 12.38 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7282cf4620> 7932 13869451