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Substance Name: 1,2-Dimethyl-4-nitro-1H-imidazole
RN: 13230-04-1
InChIKey: YJJBSMOKINSQQF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C5-H7-N3-O2

Molecular Weight

  • 141.129
 
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Names and Synonyms

Synonyms

  • 5-23-05-00077 (Beilstein Handbook Reference)
  • BRN 0121504
  • EINECS 236-201-7

Systematic Names

  • 1,2-Dimethyl-4-nitro-1H-imidazole
  • Imidazole, 1,2-dimethyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 13230-04-1

System Generated Number

  • 0013230041

Structure Descriptors

InChI

1S/C5H7N3O2/c1-4-6-5(8(9)10)3-7(4)2/h3H,1-2H3

InChIKey

YJJBSMOKINSQQF-UHFFFAOYSA-N

Smiles

c1(cn(C)c(n1)C)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.24 (none)   EXP
Water Solubility 5000 mg/L 25 EST
Vapor Pressure 5.58E-04 mm Hg 25 EST
Henry's Law Constant 3.49E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.13E-12 cm3/molecule-sec 25 EST

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