82105 <common-name>A,a,a-trifluoro-p-toluoyl chloride</common-name> <description>A,a,a-trifluoro-p-toluoyl chloride belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C8H4ClF3O and an average molecular weight of 208.56 g/mol.</description> <cas>329-15-7</cas> <pubchem-id>67607</pubchem-id> <chemical-formula>C8H4ClF3O</chemical-formula> <weight>208.56</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">2026-04-04T18:41:45Z</created-at> <updated-at type="dateTime">2026-08-24T19:16:46Z</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>FC(F)(F)C1=CC=C(C=C1)C(Cl)=O</moldb-smiles> <moldb-formula>C8H4ClF3O</moldb-formula> <moldb-inchi>InChI=1/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H</moldb-inchi> <moldb-inchikey>OXZYBOLWRXENKT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">208.56</moldb-average-mass> <moldb-mono-mass type="decimal">207.9902771</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.1</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>CHEM077998</chemdb-id> <dsstox-id>DTXSID6059817</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00041539</susdat-id> <iupac>4-(trifluoromethyl)benzoyl chloride</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">0</paper-count> <sync-id>CED0159030</sync-id> <structure-inchikey>OXZYBOLWRXENKT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000014000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000800000000000000000000084000000040000000040000000000000000000000000000000000000000000000000000400010004000000000000200000000000000000000000000000040000000000400a00400000000000000000000200000</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">2026-09-19T04:28:24Z</structure-indexed-at> </compound>