<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">44932</id>
  <title nil="true"/>
  <common-name>4,4′-DDMS</common-name>
  <description nil="true"/>
  <cas>2642-80-0</cas>
  <pubchem-id>17532</pubchem-id>
  <chemical-formula>C14H11Cl3</chemical-formula>
  <weight nil="true"/>
  <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">2016-06-03T11:19:07Z</created-at>
  <updated-at type="dateTime">2026-03-27T00:57:57Z</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>ClCC(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1</moldb-smiles>
  <moldb-formula>C14H11Cl3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H11Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2</moldb-inchi>
  <moldb-inchikey>CHBOSHOWERDCMH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">285.59</moldb-average-mass>
  <moldb-mono-mass type="decimal">283.9926335</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>16577</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>CHEM043827</chemdb-id>
  <dsstox-id>DTXSID1074757</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>Zweckverband Landeswasserversorgung Langenau</stoff-ident-origin>
  <stoff-ident-id>SI00003897</stoff-ident-id>
  <susdat-id>NS00006675</susdat-id>
  <iupac>1-chloro-4-[2-chloro-1-(4-chlorophenyl)ethyl]benzene</iupac>
</compound>
