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Substance Name: Benzimidazole, 5-chloro-2-(trifluoromethyl)-
RN: 656-49-5
InChIKey: OQKQEDXERMELRT-UHFFFAOYSA-N

Classification Code

  • Agricultural Chemical

Molecular Formula

  • C8-H4-Cl-F3-N2

Molecular Weight

  • 220.581
 
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Names and Synonyms

Synonym

  • 5-Chloro-2-(trifluoromethyl)benzimidazole

Systematic Name

  • Benzimidazole, 5-chloro-2-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 656-49-5

System Generated Number

  • 0000656495

Structure Descriptors

InChI

1S/C8H4ClF3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)

InChIKey

OQKQEDXERMELRT-UHFFFAOYSA-N

Smiles

c12c(nc([nH]1)C(F)(F)F)cc(Cl)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 46mg/kg (46mg/kg)   Biochemical Pharmacology. Vol. 18, Pg. 1389, 1969.
rat LD50 oral 6817ug/kg (6.817mg/kg)   Pesticide Science. Vol. 15, Pg. 31, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.39 (none)   EXP
Water Solubility 43.5 mg/L 25 EST
Vapor Pressure 1.11E-05 mm Hg 25 EST
Henry's Law Constant 2.36E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.85E-12 cm3/molecule-sec 25 EST

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