73862 <common-name>Benzoyl chloride, 3-(chlorosulfonyl)-</common-name> <description>Benzoyl chloride, 3-(chlorosulfonyl)- belongs to the benzenesulfonyl compounds, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C7H4Cl2O3S1 and an average molecular weight of 239.07 g/mol.</description> <cas>4052-92-0</cas> <pubchem-id>77671</pubchem-id> <chemical-formula>C7H4Cl2O3S1</chemical-formula> <weight>239.07</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">2026-04-04T00:41:43Z</created-at> <updated-at type="dateTime">2026-08-24T00:55:00Z</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>ClC(=O)C1=CC=CC(=C1)S(Cl)(=O)=O</moldb-smiles> <moldb-formula>C7H4Cl2O3S1</moldb-formula> <moldb-inchi>InChI=1S/C7H4Cl2O3S/c8-7(10)5-2-1-3-6(4-5)13(9,11)12/h1-4H</moldb-inchi> <moldb-inchikey>XWEBTVZIZWEJOO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">239.07</moldb-average-mass> <moldb-mono-mass type="decimal">237.92582</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>70072</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>CHEM069755</chemdb-id> <dsstox-id>DTXSID6063278</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00030806</susdat-id> <iupac>3-chlorosulfonylbenzoyl 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>Benzenesulfonyl compounds</subklass> <paper-count type="integer">36</paper-count> <sync-id>CED0025630</sync-id> <structure-inchikey>XWEBTVZIZWEJOO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000020000000000000000000000000000000000001000000020000000000000000000000000000000000000000000000010000000100000000000000000020000000000000000000000000000000000000010000000000000000100000000000000000000000000000000000000001000000000000800000000000000000000000000000000000000004000000000800020000000000000000084000000000000000000000080000000000000000000000000000000000000000000000000010000000000001000200000000000000000000000000000040000000000400200400000000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABEQAgAAAAAQYAKAAAAAME CAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZA KAAAAAMEBkBoAAAAAwMBEAAgAAAABhEAIAAAAAEIACgAAAADAggAKAAAAAMC CwABAAECKAIBAyADBGgMBAVoDAUGaAwGB2gMBwhoDAcJAAkKAAkLCAIJDAgC CANoDEIBAAAABgMIBwYFBBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:22:29Z</structure-indexed-at> </compound>