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Substance Name: Trichloroepoxypropane
RN: 3083-23-6
UNII: IQ92Z3552X
InChIKey: VFEXYZINKMLLAK-UHFFFAOYSA-N

Note

  • A potent epoxide hydrase and aryl hydrocarbon hydroxylase inhibitor. It enhances the tumor-initiating ability of certain carcinogens.

Molecular Formula

  • C3-H3-Cl3-O

Molecular Weight

  • 161.415
 

Classification Codes

  • Enzyme Inhibitors
  • Mutation Data
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Trichloroepoxypropane

MeSH Heading

  • Trichloroepoxypropane

Synonyms

  • (Trichloromethyl)oxirane
  • 1,1,1-Trichloro-2,3-epoxypropane
  • 1,1,1-Trichloro-2-propene oxide
  • 1,1,1-Trichloropropane 2,3-epoxide
  • 1,1,1-Trichloropropane 2,3-oxide
  • 1,1,1-Trichloropropene 2,3-oxide
  • 1,1,1-Trichloropropene oxide
  • 1,1,1-Trichloropropene-2,3-epoxide
  • 1,1,1-Trichloropropene-2,3-oxide
  • 1,1,1-Trichloropropylene oxide
  • 1,2-Epoxy-3,3,3-trichloropropane
  • 2,3-Epoxy-1,1,1-trichloropropane
  • 3,3,3-Trichloro-1,2-epoxypropane
  • 3,3,3-Trichloroepoxypropane
  • 3,3,3-Trichloropropene oxide
  • 3,3,3-Trichloropropylene oxide
  • 5-17-01-00023 (Beilstein Handbook Reference)
  • BRN 0103758
  • CCRIS 2621
  • EINECS 221-384-8
  • NSC 136558
  • Propane, 1,1,1-trichloro-2,3-epoxy-
  • TCPO
  • Trichloroepoxypropane
  • Trichloropropene oxide
  • Trichloropropylene oxide
  • UNII-IQ92Z3552X

Systematic Names

  • (Trichloromethyl)oxirane
  • 1,2-Epoxy-3,3,3-trichloropropane
  • Oxirane, (trichloromethyl)-
  • Oxirane, (trichloromethyl)- (9CI)
  • Propane, 1,1,1-trichloro-2,3-epoxy- (8CI)
  • Propane, 1,2-epoxy-3,3,3-trichloro-

Registry Numbers

CAS Registry Number

  • 3083-23-6

FDA UNII

  • IQ92Z3552X

System Generated Number

  • 0003083236

Structure Descriptors

InChI

1S/C3H3Cl3O/c4-3(5,6)2-1-7-2/h2H,1H2

InChIKey

VFEXYZINKMLLAK-UHFFFAOYSA-N

Smiles

C([C@@H]1CO1)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 142mg/kg (142mg/kg)   Toxicology and Applied Pharmacology. Vol. 52, Pg. 422, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 149 deg C   EXP
log P (octanol-water) 1.730 (none)   EST
Atmospheric OH Rate Constant 4.31E-14 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.