68650 <common-name>Benzenesulfonyl chloride, 3-nitro-</common-name> <description>Benzenesulfonyl chloride, 3-nitro- is an organic compound with the formula C6H4Cl1N1O4S1 and an average molecular weight of 221.61 g/mol. Benzenesulfonyl chloride, 3-nitro- belongs to the benzenesulfonyl compounds, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. This substance has been found in or released from two recorded sources, specifically electrical and electronic equipment, including electrodes and conductors or conductive bodies characterized by the conductive materials.</description> <cas>121-51-7</cas> <pubchem-id>8476</pubchem-id> <chemical-formula>C6H4Cl1N1O4S1</chemical-formula> <weight>221.62</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">2026-04-03T12:51:56Z</created-at> <updated-at type="dateTime">2026-08-23T10:10:49Z</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>[O-][N+](=O)C1=CC=CC(=C1)S(Cl)(=O)=O</moldb-smiles> <moldb-formula>C6H4Cl1N1O4S1</moldb-formula> <moldb-inchi>InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H</moldb-inchi> <moldb-inchikey>MWWNNOGWPTQY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">221.61</moldb-average-mass> <moldb-mono-mass type="decimal">220.954956</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8163</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>CHEM064543</chemdb-id> <dsstox-id>DTXSID6059526</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023962</susdat-id> <iupac>3-nitrobenzenesulfonyl 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">0</paper-count> <sync-id>CED0091066</sync-id> <structure-inchikey>MWWNNNAOGWPTQY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000020000000000000000000000000000000000001000000020000000000000000000000000000000000000000000000000000000100000000000000000020000000000000001000000000400000000000000000000200000000100000000000000000000000000000000000000001000000000000800000000000000000000000001000000000000004000020000000000000000000000008080000000000000000000000080000000000000000000000000000000020000000000000000010000000000001000200000000000000400000000000000040000000000000000800001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€�� *���ÿ��� *��������(������@(������@h�������@h�������@h�������@(������@h�������� ������ ������(�������(�������� ��(��� ��h���h���h���h���h�� � � ��� �����h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:31Z</structure-indexed-at> </compound>