<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4859</id>
  <title>T3D4804</title>
  <common-name>2,4,6-Tribromophenol</common-name>
  <description>2,4,6-Tribromophenol is found in crustaceans. 2,4,6-Tribromophenol is isolated from molluscs and crustaceans. 2,4,6-Tribromophenol is a flavour component of seafood, imparts an intense shrimp-like flavour. 2,4,6-Tribromophenol belongs to the family of Bromobenzenes. These are organic compounds containing a chlorine atom attached to a benzene ring.</description>
  <cas>118-79-6</cas>
  <pubchem-id>1483</pubchem-id>
  <chemical-formula>C6H3Br3O</chemical-formula>
  <weight>330.8</weight>
  <appearance>White powder.</appearance>
  <melting-point>95.5°C</melting-point>
  <boiling-point>286°C</boiling-point>
  <density nil="true"/>
  <solubility>70 mg/L (at 15°C)</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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-11T05:17:21Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:20:51Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C14454</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>47696</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id>C004554</ctd-id>
  <stitch-id nil="true"/>
  <drugbank-id>DB02417</drugbank-id>
  <pdb-id>TBP</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC1=C(Br)C=C(Br)C=C1Br</moldb-smiles>
  <moldb-formula>C6H3Br3O</moldb-formula>
  <moldb-inchi>InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H</moldb-inchi>
  <moldb-inchikey>BSWWXRFVMJHFBN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">330.799</moldb-average-mass>
  <moldb-mono-mass type="decimal">327.773402659</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp>4.13</logp>
  <hmdb-id>HMDB29642</hmdb-id>
  <chembl-id>CHEMBL220087</chembl-id>
  <chemspider-id>1438</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>CHEM003761</chemdb-id>
  <dsstox-id>DTXSID6021959</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00004395</susdat-id>
  <iupac>2,4,6-tribromophenol</iupac>
</compound>
