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Substance Name: Imidazole, 2-isopropyl-4-nitro-
RN: 13373-32-5
InChIKey: SQZCZXRYOJJCDU-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H9-N3-O2

Molecular Weight

  • 155.156
 
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Names and Synonyms

Synonyms

  • 2-Isopropyl-4-nitroimidazole
  • EINECS 236-450-1

Systematic Names

  • 2-Isopropyl-4-nitro-1H-imidazole
  • Imidazole, 2-isopropyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 13373-32-5

System Generated Number

  • 0013373325

Structure Descriptors

InChI

1S/C6H9N3O2/c1-4(2)6-7-3-5(8-6)9(10)11/h3-4H,1-2H3,(H,7,8)

InChIKey

SQZCZXRYOJJCDU-UHFFFAOYSA-N

Smiles

[nH]1cc([N+]([O-])=O)nc1C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.9 (none)   EXP
Water Solubility 5000 mg/L 25 EST
Vapor Pressure 2.05E-05 mm Hg 25 EST
Henry's Law Constant 2.88E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.06E-12 cm3/molecule-sec 25 EST

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