70610 <common-name>Benzene, 2-(bromomethyl)-1,3-dichloro- (9CI)</common-name> <description>Benzene, 2-(bromomethyl)-1,3-dichloro- (9CI) belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C7H5Br1Cl2 and an average molecular weight of 239.92 g/mol.</description> <cas>20443-98-5</cas> <pubchem-id>30159</pubchem-id> <chemical-formula>C7H5Br1Cl2</chemical-formula> <weight>239.92</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">2026-04-03T17:06:08Z</created-at> <updated-at type="dateTime">2026-08-24T01:50:20Z</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>ClC1=CC=CC(Cl)=C1CBr</moldb-smiles> <moldb-formula>C7H5Br1Cl2</moldb-formula> <moldb-inchi>InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2</moldb-inchi> <moldb-inchikey>PDFGFQUSSYSWNI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">239.92</moldb-average-mass> <moldb-mono-mass type="decimal">237.895168</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>28010</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>CHEM066503</chemdb-id> <dsstox-id>DTXSID60174392</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00026632</susdat-id> <iupac>2-(bromomethyl)-1,3-dichlorobenzene</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>Halobenzenes</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0068600</sync-id> <structure-inchikey>PDFGFQUSSYSWNI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000200002100000000000000000000000000002000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000020000000000000001000000020000800200000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000200000000000000000000000000000040000000000000000000000000000000000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACgAAAIABEQAgAAAAAQZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQRACAAAAABBkAo AAAAAwQGAGAAAAACAiMAIAAAAAELAAEAAQJoDAIDaAwDBGgMBAVoDAUGAAUH aAwHCAAICQAHAWgMQgEAAAAGAQcFBAMCFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:20:06Z</structure-indexed-at> </compound>