1.0 2016-06-03 12:53:09 UTC 2026-08-24 05:01:17 UTC α,α,α-trifluoro-o-toluidine SmallMolecule α,α,α-trifluoro-o-toluidine (C7H6F3N) is an organic compound with an average molecular weight of 161.13 g/mol. α,α,α-trifluoro-o-toluidine belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. The compound has been identified in or released from 23 recorded sources. Within aquatic systems and sediments, it is found in seawater, freshwater, surface water, and groundwater. It is also present 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 recorded in wastewater, unspecified wastewater, mine wastewater, industrial wastewater, and wastewater treatment effluent. Additionally, the compound is associated with marine, shipping, and aquaculture through bilge water and ballast water. In the realm of appliances, HVAC, and refrigerants, it is linked to water heaters and water coolers. It is further found in electrical and electronic equipment, specifically electrodes, fixed capacitors and their manufacture, and conductors or conductive bodies characterised by the conductive materials. Four more sectors have also been recorded as sources. Recorded exposure routes for α,α,α-trifluoro-o-toluidine include touch, oral, and inhalation. PMT C7H6F3N 161.127 161.045233686 2-(trifluoromethyl)aniline 2-(trifluoromethyl)aniline 88-17-5 NC1=CC=CC=C1C(F)(F)F InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2 VBLXCTYLWZJBKA-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes Trifluoromethylbenzenes Alkyl fluorides Aniline and substituted anilines Hydrocarbon derivatives Organofluorides Organopnictogen compounds Primary amines Alkyl fluoride Alkyl halide Amine Aniline or substituted anilines Aromatic homomonocyclic compound Hydrocarbon derivative Organic nitrogen compound Organofluoride Organohalogen compound Organonitrogen compound Organopnictogen compound Primary amine Trifluoromethylbenzene Aromatic homomonocyclic compounds Detected and Not Quantified logp 2.4 logp 2.24 ALOGPS logs -1.44 ALOGPS solubility 5.83e+00 g/l ALOGPS logp 2.02 ChemAxon pka_strongest_basic 2.25 ChemAxon iupac 2-(trifluoromethyl)aniline ChemAxon average_mass 161.127 ChemAxon mono_mass 161.045233686 ChemAxon smiles NC1=CC=CC=C1C(F)(F)F ChemAxon formula C7H6F3N ChemAxon inchi InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2 ChemAxon inchikey VBLXCTYLWZJBKA-UHFFFAOYSA-N ChemAxon polar_surface_area 26.02 ChemAxon refractivity 36.73 ChemAxon polarizability 12.6 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3b5ff18> 6922 6656