<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4709</id>
  <title>T3D4655</title>
  <common-name>Chloropicrin</common-name>
  <description>Chloropicrin, also known as PS, is a chemical compound currently used as a broad-spectrum antimicrobial, fungicide, herbicide, insecticide, and nematicide. Chloropicrin can be absorbed systemically through inhalation, ingestion, and the skin. At high concentrations it is severely irritating to the lungs, eyes, and skin. In World War I German forces used concentrated chloropicrin against Allied forces as a tear gas. While not as lethal as other chemical weapons, it caused vomiting and forced Allied soldiers to remove their masks to vomit, exposing them to other, more toxic chemical gases used as weapons during the war. (Wikipedia)</description>
  <cas>76-06-2</cas>
  <pubchem-id>6423</pubchem-id>
  <chemical-formula>CCl3NO2</chemical-formula>
  <weight nil="true"/>
  <appearance>Colorless liquid</appearance>
  <melting-point>-69°C</melting-point>
  <boiling-point>112°C (dec)</boiling-point>
  <density nil="true"/>
  <solubility></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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-08T02:41:17Z</created-at>
  <updated-at type="dateTime">2026-03-26T20:17:31Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Chloropicrin</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C18445</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>39285</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>ClC(Cl)(Cl)N(=O)=O</moldb-smiles>
  <moldb-formula>CCl3NO2</moldb-formula>
  <moldb-inchi>InChI=1S/CCl3NO2/c2-1(3,4)5(6)7</moldb-inchi>
  <moldb-inchikey>LFHISGNCFUNFFM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">164.375</moldb-average-mass>
  <moldb-mono-mass type="decimal">162.89946137</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL1327143</chembl-id>
  <chemspider-id>13861343</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"/>
  <chemdb-id>CHEM003613</chemdb-id>
  <dsstox-id>DTXSID0020315</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00002373</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>45.82</moldb-polar-surface-area>
  <moldb-refractivity>9.194700000000001</moldb-refractivity>
  <moldb-polarizability>10.572002076730907</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</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>2.10</moldb-alogps-logp>
  <moldb-alogps-logs>-3.10</moldb-alogps-logs>
  <moldb-alogps-solubility>1.30e-01 g/l</moldb-alogps-solubility>
</compound>
