83879 <common-name>1-(Bromomethyl)-3-(trifluoromethyl)benzene</common-name> <description>1-(Bromomethyl)-3-(trifluoromethyl)benzene belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C8H6BrF3 and an average molecular weight of 239.03 g/mol.</description> <cas>402-23-3</cas> <pubchem-id>123061</pubchem-id> <chemical-formula>C8H6BrF3</chemical-formula> <weight>239.03</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">2026-04-04T19:40:28Z</created-at> <updated-at type="dateTime">2026-08-24T21:26:47Z</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>FC(F)(F)C1=CC=CC(CBr)=C1</moldb-smiles> <moldb-formula>C8H6BrF3</moldb-formula> <moldb-inchi>InChI=1/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2</moldb-inchi> <moldb-inchikey>MYYYZNVAUZVXBO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">239.035</moldb-average-mass> <moldb-mono-mass type="decimal">237.960497</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM079772</chemdb-id> <dsstox-id>DTXSID90193192</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00043690</susdat-id> <iupac>1-(bromomethyl)-3-(trifluoromethyl)benzene</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>Trifluoromethylbenzenes</subklass> <paper-count type="integer">412</paper-count> <sync-id>CED0011932</sync-id> <structure-inchikey>MYYYZNVAUZVXBO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000002000000000000000000000000000200000100000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000800000000000000000004000000000000000100200000000000000000000000000000000000001000000200000800000000000000000000000000000000000000000080000000000000000000000000080080000000040000000040000000000000000200000000000000000000000000000000000000000000000000000000220000000000000000000000000000040000000000000800000000000000000000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABCQAgAAAAAQYAIAAAAAQJ ACAAAAABCQAgAAAAAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGAGAAAAACAiMAIAAAAAEGQGgAAAADAwELAAEAAQIAAQMA AQQABAVoDAUGaAwGB2gMBwhoDAgJAAkKAAgLaAwLBGgMQgEAAAAGBAsIBwYF FwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:29:24Z</structure-indexed-at> </compound>