Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Methyl-2-nitroimidazole
RN: 1671-82-5
InChIKey: HBMINVNVQUDERA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C4-H5-N3-O2

Molecular Weight

  • 127.1025
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1-Methyl-2-nitroimidazole

Synonyms

  • 1-Methyl-2-nitroimidazole
  • 5-23-04-00471 (Beilstein Handbook Reference)
  • BRN 0607942
  • CCRIS 1311
  • NSC 307223

Systematic Names

  • 1-Methyl-2-nitroimidazole
  • 1H-Imidazole, 1-methyl-2-nitro- (9CI)
  • Imidazole, 1-methyl-2-nitro-

Registry Numbers

CAS Registry Number

  • 1671-82-5

System Generated Number

  • 0001671825

Structure Descriptors

InChI

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

InChIKey

HBMINVNVQUDERA-UHFFFAOYSA-N

Smiles

Cn1ccnc1[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 126mg/kg (126mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 478, 1965.
mouse LD50 oral 126mg/kg (126mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 775, 1969.
mouse LD50 subcutaneous 158mg/kg (158mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 478, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.17 (none)   EXP
Water Solubility 5.37E+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.