<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">5009</id>
  <title>T3D4954</title>
  <common-name>2,3,4,6,7,8,11-Heptachlorotridecane</common-name>
  <description>2,3,4,6,7,8,11-Heptachlorotridecane is a short chain chlorinated paraffin (SCCP). Chlorinated paraffins are synthetic compounds used primarily as coolants and lubricants in metal forming and cutting, in addition to being used as plasticizers and flame retardants in rubber, paints, adhesives, sealants and plastics. SCCPs (C10РC13 chloroalkanes) were included in 2008 in the European Chemicals Agency (ECHA) list of Substances of Very High Concern (SVHC) due their being a PBT (persistent, bioaccumulative and toxic) and vPvB (very persistent and very bioaccumulative) class of compounds. Substances in the list of SVHCs are those for which ECHA is considering imposing a requirement for authorization for some or all uses. Acute toxicity of SCCPs (C10-13) is very low. SCCPs may cause skin and eye irritation upon repeated application, but do not appear to induce skin sensitization (L2053). Chlorinated paraffins (average chain length C12; approx. 60% chlorine by weight) are listed on the International Agency for Research on Cancer's (IARC) Carcinogen List as 'Possible Carcinogens.' On the U.S. National Toxicology Program (NTP) Carcinogen List they are listed as 'Reasonably Anticipated to Be a Carcinogen.' There are no data on fertility or developmental effects for humans. No changes in reproductive organs were observed in a 13 week study with rats and mice dosed with 5000 and 2000 mg/kg/day of an SCCP. In addition, developmental effects were observed in rats at 2000 mg/kg/day but not at lower doses (L2053). (L2054)</description>
  <cas></cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C13H21Cl7</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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>2B, possibly carcinogenic to humans. (L135)</carcinogenicity>
  <use-source>Chlorinated paraffins are used primarily as coolants and lubricants in metal forming and cutting, in addition to being used as plasticizers and flame retardants in rubber, paints, adhesives, sealants and plastics. (L2054)</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-17T20:23:40Z</created-at>
  <updated-at type="dateTime">2026-04-06T11:39:27Z</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>CCC(Cl)CCC(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(C)Cl</moldb-smiles>
  <moldb-formula>C13H21Cl7</moldb-formula>
  <moldb-inchi>InChI=1S/C13H21Cl7/c1-3-8(15)4-5-9(16)13(20)11(18)6-10(17)12(19)7(2)14/h7-13H,3-6H2,1-2H3</moldb-inchi>
  <moldb-inchikey>HVAZUEGTYITCDZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">425.477</moldb-average-mass>
  <moldb-mono-mass type="decimal">421.946294621</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003910</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00122092</susdat-id>
  <iupac>2,3,4,6,7,8,11-heptachlorotridecane</iupac>
</compound>
