<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4746</id>
  <title>T3D4691</title>
  <common-name>(Chloromethyl)oxirane</common-name>
  <description>(Chloromethyl)oxirane is used for cross-linking dextrose units in food starch

(Chloromethyl)oxirane belongs to the family of Epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). (Reference: Volume 18, Issue 17, 4 September 2007, Pages 2001-2010)).</description>
  <cas>106-89-8</cas>
  <pubchem-id>7835</pubchem-id>
  <chemical-formula>C3H5ClO</chemical-formula>
  <weight>92.52</weight>
  <appearance></appearance>
  <melting-point>-57.2 °C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>65.9 mg/mL at 25 °C</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>2A, probably carcinogenic to humans. (L135)</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T02:05:07Z</created-at>
  <updated-at type="dateTime">2026-04-16T21:09:26Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C14449</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>ClCC1CO1</moldb-smiles>
  <moldb-formula>C3H5ClO</moldb-formula>
  <moldb-inchi>InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2</moldb-inchi>
  <moldb-inchikey>BRLQWZUYTZBJKN-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>0.45</logp>
  <hmdb-id>HMDB34232</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>13837112</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>CHEM003649</chemdb-id>
  <dsstox-id>DTXSID1020566</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>12.53</moldb-polar-surface-area>
  <moldb-refractivity>20.057</moldb-refractivity>
  <moldb-polarizability>8.381723948729508</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 nil="true"/>
  <moldb-pka-strongest-basic>-4.187369150675658</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>0.35</moldb-alogps-logp>
  <moldb-alogps-logs>-0.11</moldb-alogps-logs>
  <moldb-alogps-solubility>7.18e+01 g/l</moldb-alogps-solubility>
</compound>
