<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3869</id>
  <title>T3D3814</title>
  <common-name>Clorophene</common-name>
  <description>Clorophene is an exogenous organic compound with the formula C13H11ClO and an average molecular weight of 218.68 g/mol. It exists as a solid at room temperature. Clorophene belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds.

The compound is used industrially as a biocide and a preservative. It is found in or released from eleven recorded sources, including drinking water and agriculture and land management via pesticides. Other sources include food preservation, processing meats, and electrical and electronic equipment, specifically electrodes, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. Additionally, it appears in household cleaning and consumer products, such as soap detergents, perfumes within detergents and soaps, non electric simulated smoking devices, and bleaching agents. Recorded exposure routes for this compound include oral and inhalation.

Clorophene interacts with 16 recorded protein targets, including tumor necrosis factor (TNF), interstitial collagenase (MMP1), cytochrome P450 2C18 (CYP2C18), and the prostaglandin E2 receptor EP2 subtype (PTGER2), along with 12 other proteins.</description>
  <cas>120-32-1</cas>
  <pubchem-id>8425</pubchem-id>
  <chemical-formula>C13H11ClO</chemical-formula>
  <weight>218.68</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></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>AR binding was observed for clorophene, which were both associated with delays in sexual development and decrements in reproductive performance.</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Clorophene is used as an antiseptic agent and a disinfectant in hospitals and restaurants.</use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2013-04-25T07:56:50Z</created-at>
  <updated-at type="dateTime">2026-08-18T22:37:10Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC1=C(CC2=CC=CC=C2)C=C(Cl)C=C1</moldb-smiles>
  <moldb-formula>C13H11ClO</moldb-formula>
  <moldb-inchi>InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2</moldb-inchi>
  <moldb-inchikey>NCKMMSIFQUPKCK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">218.679</moldb-average-mass>
  <moldb-mono-mass type="decimal">218.049842681</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL1328919</chembl-id>
  <chemspider-id>8118</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>CHEM002775</chemdb-id>
  <dsstox-id>DTXSID5020154</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00008968</susdat-id>
  <iupac>2-benzyl-4-chlorophenol</iupac>
  <moldb-polar-surface-area>20.23</moldb-polar-surface-area>
  <moldb-refractivity>62.580900000000014</moldb-refractivity>
  <moldb-polarizability>22.57736383402393</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>9.055032831164631</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-6.2781751940624355</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>4.14</moldb-alogps-logp>
  <moldb-alogps-logs>-3.79</moldb-alogps-logs>
  <moldb-alogps-solubility>3.55e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Diphenylmethanes</subklass>
  <paper-count type="integer">48</paper-count>
  <sync-id>CED0029432</sync-id>
  <structure-inchikey>NCKMMSIFQUPKCK-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:00:56Z</structure-indexed-at>
</compound>
