Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Methyl-5-nitroimidazole
RN: 3034-42-2
UNII: LR2H69GV4P
InChIKey: JLZXSFPSJJMRIX-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H5-N3-O2

Molecular Weight

  • 127.103
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1-Methyl-5-nitroimidazole

Synonyms

  • 1-Methyl-5-nitroimidazole
  • 5-23-04-00481 (Beilstein Handbook Reference)
  • BRN 0123550
  • EINECS 221-225-2
  • UNII-LR2H69GV4P

Systematic Names

  • 1-Methyl-5-nitro-1H-imidazole
  • Imidazole, 1-methyl-5-nitro-

Registry Numbers

CAS Registry Number

  • 3034-42-2

FDA UNII

  • LR2H69GV4P

System Generated Number

  • 0003034422

Structure Descriptors

InChI

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

InChIKey

JLZXSFPSJJMRIX-UHFFFAOYSA-N

Smiles

c1(n(cnc1)C)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 2.13 (none) 25 EXP
log P (octanol-water) 0.13 (none)   EXP
Water Solubility 2.98E+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.