TCV

1,1,2-trichloroethene

Created: 2014-06-25
Last modified:  2014-10-15

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Chemical Details

Formal Charge0
Atom Count6
Chiral Atom Count0
Bond Count5
Aromatic Bond Count0
2D diagram of TCV

Chemical Component Summary

Name1,1,2-trichloroethene
Systematic Name (OpenEye OEToolkits)1,1,2-tris(chloranyl)ethene
FormulaC2 H Cl3
Molecular Weight131.388
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Cl[C@H]=C(Cl)Cl
SMILESCACTVS3.385ClC=C(Cl)Cl
SMILESOpenEye OEToolkits1.7.6C(=C(Cl)Cl)Cl
Canonical SMILESCACTVS3.385 ClC=C(Cl)Cl
Canonical SMILESOpenEye OEToolkits1.7.6 C(=C(Cl)Cl)Cl
InChIInChI1.03 InChI=1S/C2HCl3/c3-1-2(4)5/h1H
InChIKeyInChI1.03 XSTXAVWGXDQKEL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB13323 
NameTrichloroethylene
Groups approved
DescriptionTrichloroethylene is a halocarbon commonly used as an industrial solvent, not to be confused with the similar 1,1,1-trichloroethane, also known as chlorothene. It has been sold under a variety of trade names including Trimar and Trilene and used as a volatile anesthetic and as an inhaled obstetrical analgesic. Environmental exposure, particularly groundwater and drinking water contamination from industrial discharge, is a major concern for human health and has been the subject of numerous incidents and lawsuits.
Synonyms
  • 1,1-dichloro-2-chloroethylene
  • trichloroethylenum
  • Trichloräthylen
  • Narcogen
  • TCE
Categories
  • Agents that produce hypertension
  • Anesthetics
  • Anesthetics, General
  • Anesthetics, Inhalation
  • Central Nervous System Agents
ATC-CodeN01AB05
CAS number79-01-6

Related Resource References

Resource NameReference
PubChem 6575
ChEMBL CHEMBL279816
ChEBI CHEBI:16602
CCDC/CSD FEGDAY, CELWOG