21535 <common-name>1-Bromoundecane</common-name> <description>1-Bromoundecane is an organic compound with the formula C11H23Br and an average molecular weight of 235.21 g/mol. 1-Bromoundecane belongs to the organobromides, a class of organohalogen compounds within the organic compounds. The substance has been identified in or released from three recorded sources, including food contact materials used in food, food processing, and cookware, as well as electrical and electronic equipment such as hybrid capacitors and antennas. Recorded exposure routes for this compound include oral, inhalation, and touch.</description> <cas>693-67-4</cas> <pubchem-id>12744</pubchem-id> <chemical-formula>C11H23Br</chemical-formula> <weight>235.2</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">2016-05-22T07:05:51Z</created-at> <updated-at type="dateTime">2026-08-18T13:47:14Z</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>CCCCCCCCCCCBr</moldb-smiles> <moldb-formula>C11H23Br</moldb-formula> <moldb-inchi>InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3</moldb-inchi> <moldb-inchikey>IKPSIIAXIDAQLG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">235.209</moldb-average-mass> <moldb-mono-mass type="decimal">234.098314</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>12221</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>CHEM020430</chemdb-id> <dsstox-id>DTXSID2049349</dsstox-id> <toxcast-id>49349</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036836</susdat-id> <iupac>1-bromoundecane</iupac> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>60.376400000000004</moldb-refractivity> <moldb-polarizability>26.159033278726685</moldb-polarizability> <moldb-rotatable-bond-count>9</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>0</moldb-number-of-rings> <moldb-alogps-logp>6.45</moldb-alogps-logp> <moldb-alogps-logs>-5.94</moldb-alogps-logs> <moldb-alogps-solubility>2.73e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organohalogen compounds</superklass> <klass>Organobromides</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0025542</sync-id> <structure-inchikey>IKPSIIAXIDAQLG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000100000000002000000000000000000000000000000000000000000000000010000000000000000000000010000000000000000000000000000000000800000000000000020000000000000000000000000000000000000000000000000000000000000000040000000000000000000010000000000000000000000000000000000000000000000000000000000004001000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>2000000000000204000000000040000000044000000000800000000001000000000004200000000400000000c430002000008411000000000000008000000042000000000000000000020000042000000000082000000000020000000000000000002000001000000000110800000010000200400000044000000800000000080010100400020000000000000800000000000001200000000000000000000004000002c0000000000000000000000000000000000000000000000080000000000000000000000000000000000000080000000000080000000000000000000000200000000010000000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAACwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAiMAIAAAAAELAAEAAQIAAgMA AwQABAUABQYABgcABwgACAkACQoACgsAQgAAAAAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:08:32Z</structure-indexed-at> </compound>