<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">201</id>
  <title>T3D0200</title>
  <common-name>1,2,4-Trichlorobenzene</common-name>
  <description>1,2,4-Trichlorobenzene is an organochloride aromatic compound and one of the three isomeric forms of trichlorobenzene. Trichlorobenzene is used as a solvent. (L223)</description>
  <cas>120-82-1</cas>
  <pubchem-id>13</pubchem-id>
  <chemical-formula>C6H3Cl3</chemical-formula>
  <weight>179.930030</weight>
  <appearance>White crystals.</appearance>
  <melting-point>17°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>0.049 mg/mL at 25 °C [SOUTHWORTH,GR &amp; KELLER,JL (1986)]</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (T38) ; inhalation (T38) ; dermal (T38)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Trichlorobenzene may uncouple mitochondrial oxidative phosphorylation, inducing potassium ion release and inhibiting respiratory control. It's metabolites may covalently bind to cellular proteins and alkylate DNA. (A154, A155)</mechanism-of-toxicity>
  <metabolism>Trichlorobenzene is absorbed via oral, inhalation, and dermal routes. It is believed to be metabolized via cytochrom p-450 enzymes into metabolites that include phenols, mercapturic acid, and catechols.(T38)</metabolism>
  <toxicity>LD50: 756 mg/kg (Oral, Rat) (T22)</toxicity>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Trichlorobenzene is used as a solvent in chemical manufacturing, as well as in dyes, dielectric fluid, synthetic transformer oils, lubricants, heat-transfer medium, and insecticides. (T39)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>High levels of trichlorobenzene may damage the liver, kidney, and thyroid. (A153)</health-effects>
  <symptoms>Trichlorobenzene irritates the eyes and respiratory tract. (T20)</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-03-06T18:58:16Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:21:19Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C06594</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>28222</chebi-id>
  <biocyc-id>CPD-1125</biocyc-id>
  <ctd-id>C009947</ctd-id>
  <stitch-id>1,2,4-Trichlorobenzene</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id>1878</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>ClC1=CC=C(Cl)C(Cl)=C1</moldb-smiles>
  <moldb-formula>C6H3Cl3</moldb-formula>
  <moldb-inchi>InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H</moldb-inchi>
  <moldb-inchikey>InChIKey=PBKONEOXTCPAFI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">181.447</moldb-average-mass>
  <moldb-mono-mass type="decimal">179.930033217</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL296348</chembl-id>
  <chemspider-id>13862559</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"/>
</compound>
