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Substance Name: 2,4,5-Trichloroimidazole
RN: 7682-38-4
InChIKey: KCUCKJJLMMZKBV-UHFFFAOYSA-N

Molecular Formula

  • C3-H-Cl3-N2

Molecular Weight

  • 171.414
 
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Names and Synonyms

Name of Substance

  • 2,4,5-Trichloroimidazole

Synonyms

  • 2,4,5-Trichloroimidazole
  • 5-23-04-00460 (Beilstein Handbook Reference)
  • BRN 0606731
  • NSC 222399

Systematic Names

  • 1H-Imidazole, 2,4,5-trichloro-
  • Imidazole, 2,4,5-trichloro-

Registry Numbers

CAS Registry Number

  • 7682-38-4

System Generated Number

  • 0007682384

Structure Descriptors

InChI

1S/C3HCl3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)

InChIKey

KCUCKJJLMMZKBV-UHFFFAOYSA-N

Smiles

c1(c(nc([nH]1)Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06518,
rat LD50 oral 11mg/kg (11mg/kg)   Toxicology and Applied Pharmacology. Vol. 89, Pg. 175, 1987.
rat LD50 oral 11mg/kg (11mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
Toxicology and Applied Pharmacology. Vol. 89, Pg. 175, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.85 (none)   EXP
Water Solubility 1590 mg/L 25 EST
Vapor Pressure 1.77E-04 mm Hg 25 EST
Henry's Law Constant 1.53E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.60E-11 cm3/molecule-sec 25 EST

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