<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 04:00:32 UTC</creation_date>
  <update_date>2026-08-23 08:19:16 UTC</update_date>
  <accession/>
  <common_name>1,2,3,4-Tetrachlorobenzene</common_name>
  <class>SmallMolecule</class>
  <description>1,2,3,4-Tetrachlorobenzene belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C6H2Cl4 and an average molecular weight of 215.88 g/mol.

The substance is found in or released from six recorded sources. These sources include household cleaning and consumer products, specifically soap detergents. Additionally, it is associated with electrical and electronic equipment, including antennas, communication cables or conductors, hybrid capacitors, fixed capacitors and their manufacture, and thin magnetic films.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>caswell no. 825</synonym>
  </synonyms>
  <chemical_formula>C6H2Cl4</chemical_formula>
  <average_molecular_weight>215.88</average_molecular_weight>
  <monisotopic_moleculate_weight>213.8910609</monisotopic_moleculate_weight>
  <iupac_name>1,2,3,4-tetrachlorobenzene</iupac_name>
  <traditional_iupac>1,2,3,4-tetrachlorobenzene</traditional_iupac>
  <cas_registry_number>634-66-2</cas_registry_number>
  <smiles>ClC1=C(Cl)C(Cl)=C(Cl)C=C1</smiles>
  <inchi>InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H</inchi>
  <inchikey>GBDZXPJXOMHESU-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>4.62</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-4.69</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.38e-03 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>4.39</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,2,3,4-tetrachlorobenzene</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>215.88</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>213.8910609</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>ClC1=C(Cl)C(Cl)=C(Cl)C=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H2Cl4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GBDZXPJXOMHESU-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>45.28</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>17.46</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f866cd8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>12463</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>21106540</chemspider_id>
  <kegg_id/>
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  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
