1.0 2016-05-19 02:39:38 UTC 2026-08-23 09:57:53 UTC 2,4,5-Trichloroaniline SmallMolecule 2,4,5-Trichloroaniline is an organic compound with the chemical formula C6H4Cl3N and an average molecular weight of 196.46 g/mol. 2,4,5-Trichloroaniline belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. The compound has been identified in or released from 20 recorded sources. These include drinking water and water supply sources such as bottled water, tap water, desalinated water, and drinking water. It is also found in aquatic systems and sediments, including seawater, freshwater, surface water, and groundwater. Within wastewater, sanitation, and biosolids, the compound is present in mine wastewater, industrial wastewater, wastewater treatment effluent, and unspecified wastewater. Other sources include marine, shipping, and aquaculture sectors via bilge water and ballast water, as well as agriculture and land management through irrigation water. Additionally, it is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers, along with three other sectors. Recorded routes of exposure for 2,4,5-Trichloroaniline include touch, oral, and inhalation. PMT C6H4Cl3N 196.46 194.9409322 2,4,5-trichloroaniline 2,4,5-trichloroaniline 636-30-6 NC1=C(Cl)C=C(Cl)C(Cl)=C1 InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2 GUMCAKKKNKYFEB-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 3.7 logp 3.47 ALOGPS logs -3.22 ALOGPS solubility 1.18e-01 g/l ALOGPS logp 2.96 ChemAxon pka_strongest_basic 1.4 ChemAxon iupac 2,4,5-trichloroaniline ChemAxon average_mass 196.46 ChemAxon mono_mass 194.9409322 ChemAxon smiles NC1=C(Cl)C=C(Cl)C(Cl)=C1 ChemAxon formula C6H4Cl3N ChemAxon inchi InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2 ChemAxon inchikey GUMCAKKKNKYFEB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.02 ChemAxon refractivity 45.17 ChemAxon polarizability 16.82 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:0x00007f72a9eaca90> 12487 21111772