<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4925</id>
  <title>T3D4870</title>
  <common-name>Trichloroacetic acid</common-name>
  <description>Trichloroacetic acid (TCA; also known as trichloroethanoic acid) is an analogue of acetic acid in which the three hydrogen atoms of the methyl group have all been replaced by chlorine atoms.</description>
  <cas>76-03-9</cas>
  <pubchem-id>6421</pubchem-id>
  <chemical-formula>C2HCl3O2</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>57.5 °C</melting-point>
  <boiling-point>195.5°C (383.9°F)</boiling-point>
  <density nil="true"/>
  <solubility>44 mg/mL at 25 °C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>2B, possibly carcinogenic to humans. (L135)</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:20:07Z</created-at>
  <updated-at type="dateTime">2026-04-14T18:09:09Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/trichloroacetic_acid</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C11150</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>30956</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id>DB11152</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC(=O)C(Cl)(Cl)Cl</moldb-smiles>
  <moldb-formula>C2HCl3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)</moldb-inchi>
  <moldb-inchikey>YNJBWRMUSHSURL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">163.387</moldb-average-mass>
  <moldb-mono-mass type="decimal">161.904212397</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>1.33</logp>
  <hmdb-id>HMDB42048</hmdb-id>
  <chembl-id>CHEMBL14053</chembl-id>
  <chemspider-id>10772050</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>CHEM003826</chemdb-id>
  <dsstox-id>DTXSID1021378</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00009969</susdat-id>
  <iupac>trichloroacetic acid</iupac>
</compound>
