<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-10-28 18:59:19 UTC</creation_date>
  <update_date>2026-08-18 03:34:54 UTC</update_date>
  <accession/>
  <common_name>1,2,3,4-tetrachloronaphthalene</common_name>
  <class>SmallMolecule</class>
  <description>1,2,3,4-tetrachloronaphthalene is an organic compound with the formula C10H4Cl4 and an average molecular weight of 265.94 g/mol. 1,2,3,4-tetrachloronaphthalene belongs to the chloronaphthalenes, a subclass of naphthalenes within the organic compounds. Within the broader chemical hierarchy, it is classified under the superclass of benzenoids.

This substance is associated with three recorded sources of occurrence or release. These sources include electrical and electronic equipment, specifically antennas, electric switches, and fixed capacitors and their manufacture.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C10H4Cl4</chemical_formula>
  <average_molecular_weight>265.94</average_molecular_weight>
  <monisotopic_moleculate_weight>263.9067109</monisotopic_moleculate_weight>
  <iupac_name>1,2,3,4-tetrachloronaphthalene</iupac_name>
  <traditional_iupac>1,2,3,4-tetrachloronaphthalene</traditional_iupac>
  <cas_registry_number>20020-02-4</cas_registry_number>
  <smiles>ClC1=C(Cl)C2=CC=CC=C2C(Cl)=C1Cl</smiles>
  <inchi>InChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H</inchi>
  <inchikey>NAQWICRLNQSPPW-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Naphthalenes</class>
    <sub_class>Chloronaphthalenes</sub_class>
    <direct_parent>Chloronaphthalenes</direct_parent>
    <alternate_parents>
      <alternative_parent>Aryl chlorides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aromatic homopolycyclic compound</substituent>
      <substituent>Aryl chloride</substituent>
      <substituent>Aryl halide</substituent>
      <substituent>Chloronaphthalene</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organohalogen compound</substituent>
    </substituents>
    <molecular_framework>Aromatic homopolycyclic compounds</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>5.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.80</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-6.54</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.64e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>5.38</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,2,3,4-tetrachloronaphthalene</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>265.94</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>263.9067109</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>ClC1=C(Cl)C2=CC=CC=C2C(Cl)=C1Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H4Cl4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NAQWICRLNQSPPW-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>61.73</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>23.28</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/>
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  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>29910</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>27793</chemspider_id>
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</compound>
