<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4716</id>
  <title>T3D4662</title>
  <common-name>Chloracetone</common-name>
  <description>Chloracetone is lachrymator with an irritating odor. It is used in color photography, insecticides, perfumes, organic synthesis and tear gas, and in the polymerization of vinyl monomers. Chloracetone belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.</description>
  <cas>78-95-5</cas>
  <pubchem-id>6571</pubchem-id>
  <chemical-formula>C3H5ClO</chemical-formula>
  <weight nil="true"/>
  <appearance>colorless liquid</appearance>
  <melting-point>-44.5°C</melting-point>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Used as a coupler for color photography, an enzyme inactivator, an intermediate, in insecticides, perfumes, organic synthesis, tear gas, and in the polymerization of vinyl monomers.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-08T02:41:39Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:54Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id>47220</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>CC(=O)CCl</moldb-smiles>
  <moldb-formula>C3H5ClO</moldb-formula>
  <moldb-inchi>InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=BULLHNJGPPOUOX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">92.524</moldb-average-mass>
  <moldb-mono-mass type="decimal">92.002892489</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1231084</chembl-id>
  <chemspider-id>6323</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"/>
</compound>
