<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 03:51:42 UTC</creation_date>
  <update_date>2026-08-18 04:24:21 UTC</update_date>
  <accession/>
  <common_name>1-Chloronaphthalene</common_name>
  <class>SmallMolecule</class>
  <description>1-Chloronaphthalene is an organic compound with the formula C10H7Cl and an average molecular weight of 162.62 g/mol. 1-Chloronaphthalene belongs to the chloronaphthalenes, a subclass of naphthalenes within the organic compounds. It is further classified as part of the benzenoids superclass.

The compound is found in or released from 16 recorded sources. These include household cleaning and consumer products such as soap detergents and cigar cigarettes. In the category of food, food processing and cookware, it is associated with food preservation and fermentation processes for beer. Additionally, it is linked to electrical and electronic equipment, specifically antennas, amplifiers, adjustable resistors, discharge tubes with liquid pool cathodes, conductors or conductive bodies characterised by the conductive materials, and seven other sources. In the field of plastics, 1-chloronaphthalene is used in polyethylene terephthalate.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-Chlornaphthalin</synonym>
  </synonyms>
  <chemical_formula>C10H7Cl</chemical_formula>
  <average_molecular_weight>162.616</average_molecular_weight>
  <monisotopic_moleculate_weight>162.023627931</monisotopic_moleculate_weight>
  <iupac_name>1-chloronaphthalene</iupac_name>
  <traditional_iupac>1-chloronaphthalene</traditional_iupac>
  <cas_registry_number>90-13-1</cas_registry_number>
  <smiles>ClC1=CC=CC2=CC=CC=C12</smiles>
  <inchi>InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H</inchi>
  <inchikey>JTPNRXUCIXHOKM-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>4.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.95</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-4.17</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.09e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.57</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1-chloronaphthalene</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>162.616</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>162.023627931</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>ClC1=CC=CC2=CC=CC=C12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H7Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JTPNRXUCIXHOKM-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>47.31</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>16.71</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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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>7003</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>6737</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <wikipidia/>
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</compound>
