<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4708</id>
  <title>T3D4654</title>
  <common-name>Trichloronitroso-methane</common-name>
  <description>Trichloronitroso-methane is a lachrymatory agent. It produces immediate pain to the eyes and irritate mucous membranes. This compound belongs to the class of organic compounds known as c-nitroso compounds. These are nitroso compounds with he general formula RN=O, where R is an organic group.</description>
  <cas>3711-49-7</cas>
  <pubchem-id>77305</pubchem-id>
  <chemical-formula>CCl3NO</chemical-formula>
  <weight nil="true"/>
  <appearance>Dark-blue liquid, with a disagreeable smell.</appearance>
  <melting-point></melting-point>
  <boiling-point>127°C</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">2014-09-08T02:41:12Z</created-at>
  <updated-at type="dateTime">2026-04-06T13:46:54Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></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</moldb-smiles>
  <moldb-formula>CCl3NO</moldb-formula>
  <moldb-inchi>InChI=1S/CCl3NO/c2-1(3,4)5-6</moldb-inchi>
  <moldb-inchikey>WXWITNRAXGTELB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">148.376</moldb-average-mass>
  <moldb-mono-mass type="decimal">146.904546748</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>69724</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>CHEM003612</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00126512</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>29.43</moldb-polar-surface-area>
  <moldb-refractivity>6.4467</moldb-refractivity>
  <moldb-polarizability>9.826150212237106</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 nil="true"/>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>2.05</moldb-alogps-logp>
  <moldb-alogps-logs>-2.04</moldb-alogps-logs>
  <moldb-alogps-solubility>1.37e+00 g/l</moldb-alogps-solubility>
</compound>
