5610 <common-name>2,3,4-Trichlorophenol</common-name> <description>2,3,4-Trichlorophenol is an organic compound with the chemical formula C6H3Cl3O and an average molecular weight of 197.44 g/mol. 2,3,4-Trichlorophenol belongs to the halophenols, a subclass of phenols within the organic compounds. Within the broader classification of benzenoids, this substance is identified as a member of the phenols class. The compound has been identified in or released from three recorded sources. These include household cleaning and consumer products, specifically bleaching agents, as well as food, food processing and cookware related to the preparation of wine or sparkling wine. Additionally, it is found in electrical and electronic equipment auxiliary devices.</description> <cas>15950-66-0</cas> <pubchem-id>27582</pubchem-id> <chemical-formula>C6H3Cl3O</chemical-formula> <weight>197.4</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">2016-05-19T01:47:31Z</created-at> <updated-at type="dateTime">2026-08-23T09:05:02Z</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>OC1=C(Cl)C(Cl)=C(Cl)C=C1</moldb-smiles> <moldb-formula>C6H3Cl3O</moldb-formula> <moldb-inchi>InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H</moldb-inchi> <moldb-inchikey>HSQFVBWFPBKHEB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">197.44</moldb-average-mass> <moldb-mono-mass type="decimal">195.9249478</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>25672</chemspider-id> <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>CHEM004505</chemdb-id> <dsstox-id>DTXSID5026207</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00002552</susdat-id> <iupac>2,3,4-trichlorophenol</iupac> <moldb-polar-surface-area>20.23</moldb-polar-surface-area> <moldb-refractivity>42.4533</moldb-refractivity> <moldb-polarizability>16.174132575796527</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>6.945576189371477</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.357189584392427</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.78</moldb-alogps-logp> <moldb-alogps-logs>-2.54</moldb-alogps-logs> <moldb-alogps-solubility>5.73e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenols</klass> <subklass>Halophenols</subklass> <paper-count type="integer">56</paper-count> <sync-id>CED0022726</sync-id> <structure-inchikey>HSQFVBWFPBKHEB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000000000000002000000000000000000000000000000000000000000000000400000000000000000000000002000000000000000000000000000000000010000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000001000400000000000000000000000000080000000000000000000000100020000000000000000000000000002100000000000000000010000000000000000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���h�������@(������@(������� �����@(������� �����@(������� �����@h�������@h��������� ��h������h������h������h�� h� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:00Z</structure-indexed-at> </compound>