1.0 2016-06-03 12:30:28 UTC 2026-08-23 23:51:19 UTC 5-chloro-α,α,α-trifluoro-2-nitrotoluene SmallMolecule 5-chloro-α,α,α-trifluoro-2-nitrotoluene is an organic compound with the formula C7H3ClF3NO2 and an average molecular weight of 225.55 g/mol. 5-chloro-α,α,α-trifluoro-2-nitrotoluene belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is categorized under the superclass of benzenoids. It has been found in or released from one recorded source, which is drinking water within drinking water and water supplies. The recorded exposure route for this substance is oral. C7H3ClF3NO2 225.55 224.9804405 4-chloro-1-nitro-2-(trifluoromethyl)benzene 4-chloro-1-nitro-2-(trifluoromethyl)benzene 118-83-2 FC(F)(F)C1=C(C=CC(Cl)=C1)N(=O)=O InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H CFPIGEXZPWTNOR-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes Trifluoromethylbenzenes Alkyl fluorides Aryl chlorides Chlorobenzenes Hydrocarbon derivatives Nitroaromatic compounds Nitrobenzenes Organic oxides Organic oxoazanium compounds Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Alkyl fluoride Alkyl halide Allyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compound Aryl chloride Aryl halide C-nitro compound Chlorobenzene Halobenzene Hydrocarbon derivative Nitroaromatic compound Nitrobenzene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organochloride Organofluoride Organohalogen compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Trifluoromethylbenzene Aromatic homomonocyclic compounds Detected and Not Quantified logp 3.8 logp 3.15 ALOGPS logs -4.56 ALOGPS solubility 6.28e-03 g/l ALOGPS logp 3.4 ChemAxon iupac 4-chloro-1-nitro-2-(trifluoromethyl)benzene ChemAxon average_mass 225.55 ChemAxon mono_mass 224.9804405 ChemAxon smiles FC(F)(F)C1=C(C=CC(Cl)=C1)N(=O)=O ChemAxon formula C7H3ClF3NO2 ChemAxon inchi InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H ChemAxon inchikey CFPIGEXZPWTNOR-UHFFFAOYSA-N ChemAxon polar_surface_area 45.82 ChemAxon refractivity 44.16 ChemAxon polarizability 15.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f604620> 67052 60403