<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">5308</id>
  <title nil="true"/>
  <common-name>1,3-Dichloropropane</common-name>
  <description>1,3-Dichloropropane (C3H6Cl2) is a chemical compound with an average molecular weight of 112.99 g/mol. 1,3-Dichloropropane belongs to the organochlorides, a class of organohalogen compounds within the organic compounds.

This substance is found in or released from 14 recorded sources. Within the category of electrical and electronic equipment, these sources include electrodes, electric switches, communication cables or conductors, conductive bodies characterized by the conductive materials, and electrically stimulated smoking devices. In the realm of household cleaning and consumer products, it is associated with soap detergents, bleaching agents, tobacco smoke filters, and perfumes within detergents and soaps. Additionally, it is linked to food preservation and food contact materials in food, food processing, and cookware. Recorded routes of exposure for 1,3-Dichloropropane include oral, touch, and inhalation. Regarding its interaction with plastics, results in superabsorbent polymer are inconclusive.</description>
  <cas>142-28-9</cas>
  <pubchem-id>8881</pubchem-id>
  <chemical-formula>C3H6Cl2</chemical-formula>
  <weight>112.98</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">2016-05-19T01:37:20Z</created-at>
  <updated-at type="dateTime">2026-08-22T13:15:30Z</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>ClCCCCl</moldb-smiles>
  <moldb-formula>C3H6Cl2</moldb-formula>
  <moldb-inchi>InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2</moldb-inchi>
  <moldb-inchikey>YHRUOJUYPBUZOS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">112.986</moldb-average-mass>
  <moldb-mono-mass type="decimal">111.984655606</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8543</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>CHEM004203</chemdb-id>
  <dsstox-id>DTXSID6022004</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00004738</susdat-id>
  <iupac>1,3-dichloropropane</iupac>
  <moldb-polar-surface-area>0</moldb-polar-surface-area>
  <moldb-refractivity>25.521</moldb-refractivity>
  <moldb-polarizability>10.50590480333436</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>0</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>1.98</moldb-alogps-logp>
  <moldb-alogps-logs>-1.75</moldb-alogps-logs>
  <moldb-alogps-solubility>2.01e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organohalogen compounds</superklass>
  <klass>Organochlorides</klass>
  <subklass nil="true"/>
  <paper-count type="integer">120</paper-count>
  <sync-id>CED0018000</sync-id>
  <structure-inchikey>YHRUOJUYPBUZOS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000088000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>4000000000040000000000000000000000000000000000000000000000000000400000000400000000000000000000000000010000000004200000000000000000002000000000000000000200000000000000000000000000000000000000000000001000000001000020040000004000000000000000000000010040002000000000000080000000000800100000000800000000000000002000240000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000080000000000000000000000000000000000000000000000000010000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��� ������`�������`�������`������� �����������������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:01:49Z</structure-indexed-at>
</compound>
