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Substance Name: Imidazole, 4-bromo-1,2-dimethyl-5-nitro-
RN: 21431-58-3
InChIKey: ZNTMHCHYIKJJMI-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-Br-N3-O2

Molecular Weight

  • 220.025
 
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Names and Synonyms

Synonym

  • 4-Bromo-1,2-dimethyl-5-nitroimidazole

Systematic Name

  • Imidazole, 4-bromo-1,2-dimethyl-5-nitro-

Registry Numbers

CAS Registry Number

  • 21431-58-3

System Generated Number

  • 0021431583

Structure Descriptors

InChI

1S/C5H6BrN3O2/c1-3-7-4(6)5(8(3)2)9(10)11/h1-2H3

InChIKey

ZNTMHCHYIKJJMI-UHFFFAOYSA-N

Smiles

c1(n(c(C)nc1Br)C)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.87 (none)   EXP
Water Solubility 361 mg/L 25 EST
Vapor Pressure 4.35E-05 mm Hg 25 EST
Henry's Law Constant 1.39E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.63E-11 cm3/molecule-sec 25 EST

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