74012 <common-name>2-Bromo-5-chloronitrobenzene</common-name> <description>2-Bromo-5-chloronitrobenzene belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C6H3Br1Cl1N1O2 and an average molecular weight of 236.45 g/mol.</description> <cas>41513-04-6</cas> <pubchem-id>2794904</pubchem-id> <chemical-formula>C6H3Br1Cl1N1O2</chemical-formula> <weight>236.45</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">2026-04-04T01:00:24Z</created-at> <updated-at type="dateTime">2026-08-23T08:41:00Z</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>[O-][N+](=O)C1=C(Br)C=CC(Cl)=C1</moldb-smiles> <moldb-formula>C6H3Br1Cl1N1O2</moldb-formula> <moldb-inchi>InChI=1S/C6H3BrClNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H</moldb-inchi> <moldb-inchikey>UKTIMFAJRPSNGR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">236.45</moldb-average-mass> <moldb-mono-mass type="decimal">234.903569</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>120717</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>CHEM069905</chemdb-id> <dsstox-id>DTXSID00194397</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00030996</susdat-id> <iupac>1-bromo-4-chloro-2-nitrobenzene</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>Nitrobenzenes</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0050721</sync-id> <structure-inchikey>UKTIMFAJRPSNGR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000080000000000000000000000000000000002000000000000000000000000000000004000000000000000000400000000000000000000020000000000000001800800000400000000000000080004200000000100000000000000000000000000000000000000000000000000000000000000000000000000000001000000040000000000000000000000000000000000000080000000000000000800000000000000000000000000000000000000000000100000000000010000000000000000200000000000000000000000000000040000000000000000000001000000000000004000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABCCAqAAAA/wMBByAqAAAA AQMECAAoAAAAAwIGQCgAAAADBAZAKAAAAAMEIwAgAAAAAQZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMEEQAgAAAAAQZAaAAAAAMDAQsAASABAigCAQMgAwRo DAQFAAQGaAwGB2gMBwhoDAgJAAgKaAwKA2gMQgEAAAAGAwoIBwYEFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:22:35Z</structure-indexed-at> </compound>