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Substance Name: 1-Methyl-4-nitro-1H-imidazole
RN: 3034-41-1
UNII: Z31100A55O
InChIKey: HSCOLDQJZRZQMV-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

  • 1-Methyl-4-nitro-1H-imidazole

Synonyms

  • 5-23-04-00486 (Beilstein Handbook Reference)
  • AI3-51824
  • BRN 0123533
  • UNII-Z31100A55O

Systematic Names

  • 1-Methyl-4-nitro-1H-imidazole (9CI)
  • 1H-Imidazole, 1-methyl-4-nitro-
  • Imidazole, 1-methyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 3034-41-1

FDA UNII

  • Z31100A55O

System Generated Number

  • 0003034411

Structure Descriptors

InChI

1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3

InChIKey

HSCOLDQJZRZQMV-UHFFFAOYSA-N

Smiles

c1(cn(C)cn1)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant -0.53 (none) 20 EXP
log P (octanol-water) -0.44 (none)   EXP
Water Solubility 9.13E+04 mg/L 25 EST
Vapor Pressure 1.69E-03 mm Hg 25 EST
Henry's Law Constant 3.16E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.64E-12 cm3/molecule-sec 25 EST

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