<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4710</id>
  <title>T3D4656</title>
  <common-name>P-Chloroacetophenone</common-name>
  <description>P-Chloroacetophenone is a lachrymatory agent. It produces immediate pain to the eyes and irritate mucous membranes. This compound belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure.</description>
  <cas>99-91-2</cas>
  <pubchem-id>7467</pubchem-id>
  <chemical-formula>C8H7ClO</chemical-formula>
  <weight nil="true"/>
  <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></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-08T02:41:21Z</created-at>
  <updated-at type="dateTime">2026-04-04T18:05:53Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C06647</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>CC(=O)C1=CC=C(Cl)C=C1</moldb-smiles>
  <moldb-formula>C8H7ClO</moldb-formula>
  <moldb-inchi>InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3</moldb-inchi>
  <moldb-inchikey>BUZYGTVTZYSBCU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">154.594</moldb-average-mass>
  <moldb-mono-mass type="decimal">154.018542553</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL608419</chembl-id>
  <chemspider-id>13835126</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>CHEM003614</chemdb-id>
  <dsstox-id>DTXSID1052668</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac nil="true"/>
  <moldb-polar-surface-area>17.07</moldb-polar-surface-area>
  <moldb-refractivity>41.265600000000006</moldb-refractivity>
  <moldb-polarizability>15.349909305287927</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic>16.056455198414668</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-7.388219466297953</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>2.41</moldb-alogps-logp>
  <moldb-alogps-logs>-2.70</moldb-alogps-logs>
  <moldb-alogps-solubility>3.10e-01 g/l</moldb-alogps-solubility>
</compound>
