<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4047</id>
  <title>T3D3993</title>
  <common-name>Bromodichloromethane</common-name>
  <description>Bromodichloromethane is a liquid at room temperature with the formula $\text{CHBrCl}_2$ and an average molecular weight of 163.83 g/mol. Bromodichloromethane belongs to the halomethanes, a subclass of alkyl halides within the organic compounds. This exogenous organohalogen compound serves as a reagent and is identified as an environmental contaminant.

The compound is found in or released from ten recorded sources. These include building and construction materials such as ceilings; household cleaning and consumer products, specifically perfumes within detergents and soaps; and food, food processing and cookware, including food preservation and the preparation of wine or sparkling wine. Additionally, it is associated with electrical and electronic equipment, including electrodes, discharge lamps, hybrid capacitors, line transmission systems, and conductors or conductive bodies characterised by the conductive materials. Its presence in superabsorbent polymer plastics is inconclusive.

Literature supports inhalation as a route of exposure (PMC6210579). Bromodichloromethane is associated with several health effects, including cancer (PMC10552926) and miscarriage (PMC7103533).</description>
  <cas>75-27-4</cas>
  <pubchem-id>6359</pubchem-id>
  <chemical-formula>CHBrCl2</chemical-formula>
  <weight>163.83</weight>
  <appearance nil="true"/>
  <melting-point>-57°C</melting-point>
  <boiling-point>90°C</boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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>2B, possibly carcinogenic to humans. (L135)</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:48:46Z</created-at>
  <updated-at type="dateTime">2026-08-26T00:18:56Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C14708</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>CHEBI:34591</chebi-id>
  <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>ClC(Cl)Br</moldb-smiles>
  <moldb-formula>CHBrCl2</moldb-formula>
  <moldb-inchi>InChI=1S/CHBrCl2/c2-1(3)4/h1H</moldb-inchi>
  <moldb-inchikey>FMWLUWPQPKEARP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">163.829</moldb-average-mass>
  <moldb-mono-mass type="decimal">161.863868093</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>2.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL346231</chembl-id>
  <chemspider-id>6119</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002953</chemdb-id>
  <dsstox-id>DTXSID1020198</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00007535</susdat-id>
  <iupac>bromo(dichloro)methane</iupac>
  <moldb-polar-surface-area>0.0</moldb-polar-surface-area>
  <moldb-refractivity>24.1758</moldb-refractivity>
  <moldb-polarizability>9.596123580527454</moldb-polarizability>
  <moldb-rotatable-bond-count>0</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>1.85</moldb-alogps-logp>
  <moldb-alogps-logs>-1.39</moldb-alogps-logs>
  <moldb-alogps-solubility>6.70e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organohalogen compounds</superklass>
  <klass>Alkyl halides</klass>
  <subklass>Halomethanes</subklass>
  <paper-count type="integer">690</paper-count>
  <sync-id>CED0009871</sync-id>
  <structure-inchikey>FMWLUWPQPKEARP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>204000000000040000000000000000000000000000000000000000000000000000400000000400000000000000000000000000000000000004200000000000000000002202000000000000000080000000000000000000040000000000000000000000001000000001000020040000004000000000000000000001000000002400000000000080000000000800120000000800000000800000002000040000000000000000000000000000000000000040000000000000000000000000000000000400000000000400000000000000000000000000004000000000000000000004000000000000010000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��� ������`������� ����#� ��������������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:01:03Z</structure-indexed-at>
</compound>
