<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">5000</id>
  <title>T3D4945</title>
  <common-name>1,2,3-Trichloropropane</common-name>
  <description>1,2,3-Trichloropropane (TCP) is a chemical compound that is commonly used as an industrial solvent. Although it is not currently labeled as a contaminant by the United States federal government, new research shows that it could have severe health effects. Currently, only California has significant regulation on this compound. (Wikipedia)</description>
  <cas>96-18-4</cas>
  <pubchem-id>7285</pubchem-id>
  <chemical-formula>C3H5Cl3</chemical-formula>
  <weight>147.43</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></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>2A, probably carcinogenic to humans. (L135)</carcinogenicity>
  <use-source>Industrial solvent.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-17T20:01:53Z</created-at>
  <updated-at type="dateTime">2026-04-17T19:48:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>7285</kegg-compound-id>
  <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>ClCC(Cl)CCl</moldb-smiles>
  <moldb-formula>C3H5Cl3</moldb-formula>
  <moldb-inchi>InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2</moldb-inchi>
  <moldb-inchikey>CFXQEHVMCRXUSD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">147.431</moldb-average-mass>
  <moldb-mono-mass type="decimal">145.945683281</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL346933</chembl-id>
  <chemspider-id>7013</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>CHEM003901</chemdb-id>
  <dsstox-id>DTXSID9021390</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00006830</susdat-id>
  <iupac>1,2,3-trichloropropane</iupac>
</compound>
