16826 <common-name>3,4-Dichlorobenzyl chloride</common-name> <description>3,4-Dichlorobenzyl chloride is an organic compound with the formula C7H5Cl3 and an average molecular weight of 195.47 g/mol. 3,4-Dichlorobenzyl chloride belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance is present in polyethylene terephthalate plastics. The compound has been identified in or released from two recorded sources: video games (electrical & electronic equipment) and food contact materials (food, food processing & cookware). Recorded exposure routes for this chemical include oral, inhalation, and touch.</description> <cas>102-47-6</cas> <pubchem-id>7609</pubchem-id> <chemical-formula>C7H5Cl3</chemical-formula> <weight>195.5</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">2016-05-19T04:59:22Z</created-at> <updated-at type="dateTime">2026-08-24T02:21:59Z</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>ClCC1=CC(Cl)=C(Cl)C=C1</moldb-smiles> <moldb-formula>C7H5Cl3</moldb-formula> <moldb-inchi>InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2</moldb-inchi> <moldb-inchikey>YZIFVWOCPGPNHB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">195.47</moldb-average-mass> <moldb-mono-mass type="decimal">193.9456833</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>7327</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>CHEM015721</chemdb-id> <dsstox-id>DTXSID9059252</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023149</susdat-id> <iupac>1,2-dichloro-4-(chloromethyl)benzene</iupac> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>45.5345</moldb-refractivity> <moldb-polarizability>17.40554516779494</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.85</moldb-alogps-logp> <moldb-alogps-logs>-4.22</moldb-alogps-logs> <moldb-alogps-solubility>1.17e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Halobenzenes</subklass> <paper-count type="integer">194</paper-count> <sync-id>CED0015437</sync-id> <structure-inchikey>YZIFVWOCPGPNHB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000200000000000002000000000000000000000000000000000000000000000000c00000000000000000000000002000000000000000000000000000000000000000000000000000100000000000000000020000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000080000200000000004000000000000000000000000002000000000000000000000000000000010000000000000000220000000000000000000000000000048000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACgAAAIABEQAgAAAAAQYAYAAAAAIC BkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBBEAIAAAAAEGQCgAAAADBBEAIAAA AAEGQGgAAAADAwEGQGgAAAADAwELAAEAAQIAAgNoDAMEaAwEBQAEBmgMBgcA BghoDAgJaAwJAmgMQgEAAAAGAgkIBgQDFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:05:57Z</structure-indexed-at> </compound>