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Substance Name: 4-Methyl-5-nitroimidazole
RN: 14003-66-8
UNII: 5PUL8BW840
InChIKey: WSYOWIMKNNMEMZ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H5-N3-O2

Molecular Weight

  • 127.103
 
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Names and Synonyms

Name of Substance

  • 4-Methyl-5-nitroimidazole

Synonyms

  • 4-Methyl-5-nitroimidazole
  • 5-Methyl-4-nitroimidazole
  • EINECS 237-809-5
  • Imidazole, 4-methyl-5-nitro-
  • Imidazole, 5-methyl-4-nitro-
  • NSC 156634
  • RP 8549
  • UNII-5PUL8BW840

Systematic Names

  • 1H-Imidazole, 4-methyl-5-nitro-
  • 4-Methyl-5-nitro-1H-imidazole
  • Imidazole, 4(or 5)-methyl-5(or 4)-nitro- (7CI)
  • Imidazole, 4-methyl-5-nitro-

Registry Numbers

CAS Registry Number

  • 14003-66-8

FDA UNII

  • 5PUL8BW840

System Generated Number

  • 0014003668

Structure Descriptors

InChI

1S/C4H5N3O2/c1-3-4(7(8)9)6-2-5-3/h2H,1H3,(H,5,6)

InChIKey

WSYOWIMKNNMEMZ-UHFFFAOYSA-N

Smiles

c1(c(nc[nH]1)C)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.420 (none)   EST
Water Solubility 2.45E+04 mg/L 25 EST
Vapor Pressure 6.48E-05 mm Hg 25 EST
Henry's Law Constant 1.64E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.65E-12 cm3/molecule-sec 25 EST

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