<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">89533</id>
  <title nil="true"/>
  <common-name>2-Chloro-3-(m-chloro-o-tolyl)propionitrile</common-name>
  <description>2-Chloro-3-(m-chloro-o-tolyl)propionitrile is an organic compound with the formula C10H9Cl2N and an average molecular weight of 214.09 g/mol. 2-Chloro-3-(m-chloro-o-tolyl)propionitrile belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is classified within the superclass of benzenoids. It has been identified as being found in or released from one recorded source: electrical and electronic equipment used in radio transmission systems.</description>
  <cas>21342-85-8</cas>
  <pubchem-id>30603</pubchem-id>
  <chemical-formula>C10H9Cl2N</chemical-formula>
  <weight>214.09</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-04T23:48:34Z</created-at>
  <updated-at type="dateTime">2026-08-18T06:11:09Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <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 nil="true"/>
  <moldb-formula>C10H9Cl2N</moldb-formula>
  <moldb-inchi>InChI=1/C10H9Cl2N/c1-7-8(5-9(11)6-13)3-2-4-10(7)12/h2-4,9H,5H2,1H3</moldb-inchi>
  <moldb-inchikey>YYJUXSGXHHPBTK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">214.09</moldb-average-mass>
  <moldb-mono-mass type="decimal">213.0112046</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM085426</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00050433</susdat-id>
  <iupac>2-chloro-3-(3-chloro-2-methylphenyl)propanenitrile</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Halobenzenes</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0160973</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle nil="true"/>
  <structure-indexed-at nil="true"/>
</compound>
