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Substance Name: 2-Methyl-5-nitrobenzimidazole
RN: 1792-40-1
UNII: VDP9EXS9EW
InChIKey: RKRXTVLCZDPERO-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H7-N3-O2

Molecular Weight

  • 177.162
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-5-nitrobenzimidazole

Synonyms

  • 2-Methyl-5-nitrobenzimidazole
  • Benzimidazole, 2-methyl-5-nitro-
  • EINECS 217-259-2
  • NSC 38853
  • UNII-VDP9EXS9EW

Systematic Names

  • 1H-Benzimidazole, 2-methyl-5-nitro- (9CI)
  • 2-Methyl-5-nitro-1H-benzimidazole
  • Benzimidazole, 2-methyl-5-nitro-

Registry Numbers

CAS Registry Number

  • 1792-40-1

FDA UNII

  • VDP9EXS9EW

System Generated Number

  • 0001792401

Structure Descriptors

InChI

1S/C8H7N3O2/c1-5-9-7-3-2-6(11(12)13)4-8(7)10-5/h2-4H,1H3,(H,9,10)

InChIKey

RKRXTVLCZDPERO-UHFFFAOYSA-N

Smiles

O=[N+]([O-])c1cc2nc(C)[nH]c2cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 223-225 deg C   EXP
log P (octanol-water) 1.94 (none)   EXP
Water Solubility 510 mg/L 25 EST
Vapor Pressure 3.95E-07 mm Hg 25 EST
Henry's Law Constant 1.60E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.87E-12 cm3/molecule-sec 25 EST

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