<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4037</id>
  <title>T3D3983</title>
  <common-name>2,5-Dichlorophenol</common-name>
  <description>2,5-dichlorophenol belongs to the family of Phenols and Derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.</description>
  <cas>583-78-8</cas>
  <pubchem-id>66</pubchem-id>
  <chemical-formula>C6H4Cl2O</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>59°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>2 mg/mL at 25°C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:48:35Z</created-at>
  <updated-at type="dateTime">2026-03-31T17:10:16Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>2,5-dichlorophenol</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C06602</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>27929</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC1=C(Cl)C=CC(Cl)=C1</moldb-smiles>
  <moldb-formula>C6H4Cl2O</moldb-formula>
  <moldb-inchi>InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H</moldb-inchi>
  <moldb-inchikey>RANCECPPZPIPNO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">163.001</moldb-average-mass>
  <moldb-mono-mass type="decimal">161.963920164</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>3.06</logp>
  <hmdb-id>HMDB41800</hmdb-id>
  <chembl-id>CHEMBL1565192</chembl-id>
  <chemspider-id>65</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002943</chemdb-id>
  <dsstox-id>DTXSID7025003</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00008731</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>20.23</moldb-polar-surface-area>
  <moldb-refractivity>37.6485</moldb-refractivity>
  <moldb-polarizability>14.20067053952974</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>7.227825308199748</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-7.070236037947947</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>3.13</moldb-alogps-logp>
  <moldb-alogps-logs>-1.76</moldb-alogps-logs>
  <moldb-alogps-solubility>2.80e+00 g/l</moldb-alogps-solubility>
</compound>
