362233 <common-name>4-(trifluoromethyl)benzenesulfinic acid</common-name> <description>4-(trifluoromethyl)benzenesulfinic acid is a chemical compound with the formula C7H5F3O2S. It has an average molecular weight of 210.18 g/mol.</description> <cas>829-70-9</cas> <pubchem-id>11218507</pubchem-id> <chemical-formula>C7H5F3O2S</chemical-formula> <weight>210.18</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">2026-09-01T11:22:22Z</created-at> <updated-at type="dateTime">2026-09-01T11:22:22Z</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>C1=CC(=CC=C1C(F)(F)F)S(=O)O</moldb-smiles> <moldb-formula>C7H5F3O2S</moldb-formula> <moldb-inchi>InChI=1S/C7H5F3O2S/c8-7(9,10)5-1-3-6(4-2-5)13(11)12/h1-4H,(H,11,12)</moldb-inchi> <moldb-inchikey>JIUIHDUXMVJNKD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">209.9962351</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2</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>CHEM358126</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>4-(trifluoromethyl)benzenesulfinic acid</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" nil="true"/> <sync-id>CED0312318</sync-id> <structure-inchikey>JIUIHDUXMVJNKD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000000000000004000000000000000000100000000001000000000000000000000000000000000004000000000000000000020000000000000000000000000000000000000014000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000084000000000000000000000000000080000000040000000040000001000400000000000000000000000000000000000000000400000200000000000000200000000000000000000000000000040000000000000800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€��@h�������@h�������@(������@h�������@h�������@(������� ���� � ���� � ���� � ������ ������(�������`��������h���h���h���h���h����������� �� � ��� ����h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:59:20Z</structure-indexed-at> </compound>