99171 <common-name>3-Chloro-5-(trifluoromethyl)aniline</common-name> <description>3-Chloro-5-(trifluoromethyl)aniline belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C7H5ClF3N and an average molecular weight of 195.57 g/mol.</description> <cas>69411-05-8</cas> <pubchem-id>3017933</pubchem-id> <chemical-formula>C7H5ClF3N</chemical-formula> <weight>195.57</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T06:41:55Z</created-at> <updated-at type="dateTime">2026-08-24T02:27:23Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>NC1=CC(=CC(Cl)=C1)C(F)(F)F</moldb-smiles> <moldb-formula>C7H5ClF3N</moldb-formula> <moldb-inchi>InChI=1/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2</moldb-inchi> <moldb-inchikey>OVENUGPMQDFGLE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">195.57</moldb-average-mass> <moldb-mono-mass type="decimal">195.0062615</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM095064</chemdb-id> <dsstox-id>DTXSID50989250</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061922</susdat-id> <iupac>3-chloro-5-(trifluoromethyl)aniline</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Trifluoromethylbenzenes</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0052497</sync-id> <structure-inchikey>OVENUGPMQDFGLE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000002000000000000080000000000000000000000000000000000000000000000000004002000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000004000000000000000100080000000000000000000000000000000000000000000000000000000000000000002001000000000000000000000080000000000000000000000000000080000000040000000044000000000000000000000000000000000000000000000000000000010000000100000001000000000000000000000000000000040000000000000800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>100000000902020080000000000820000000040000040000003020408200000c4400081400800000000001000080000004200020008c30010000443000a0420084190400020004100090100000621002000005804000013240000420000200000e2804060048020040000000c0100000240280100101c0045118200000110002004000080c400000080002000a080008100c0012440014820000080000000080808300000000c00000000840013c621002c0000082410840108002100840021000000284044000020180000004450280040000004200400004000000080001000000001000018000000000011112200000100010004000020008000050000400</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���h�������@(������@h�������@(������@h�������@(������� �����@h�������� ���� � ���� � ���� � ������� ��h���h���h���h������h����� �� ������h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:36Z</structure-indexed-at> </compound>