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Substance Name: Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-
RN: 39928-74-0
InChIKey: PTLILCRCEWAQGA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H5-N3-O3

Molecular Weight

  • 155.1125
 
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Names and Synonyms

Synonyms

  • 1-Methyl-2-nitro-imidazole-5-carboxaldehyde
  • 5-24-02-00096 (Beilstein Handbook Reference)
  • BRN 0744488
  • L 8711
  • NSC 294741

Systematic Name

  • Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-

Registry Numbers

CAS Registry Number

  • 39928-74-0

System Generated Number

  • 0039928740

Structure Descriptors

InChI

1S/C5H5N3O3/c1-7-4(3-9)2-6-5(7)8(10)11/h2-3H,1H3

InChIKey

PTLILCRCEWAQGA-UHFFFAOYSA-N

Smiles

Cn1c(C=O)cnc1[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 412mg/kg (412mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 557, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.1 (none)   EXP
Water Solubility 3.57E+04 mg/L 25 EST
Vapor Pressure 4.61E-05 mm Hg 25 EST
Henry's Law Constant 7.88E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.93E-11 cm3/molecule-sec 25 EST

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