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Substance Name: 1-Methyl-5-chloro-4-nitroimidazole
RN: 4897-25-0
UNII: P917JW98BD
InChIKey: OSJUNMSWBBOTQU-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H4-Cl-N3-O2

Molecular Weight

  • 161.548
 
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Names and Synonyms

Name of Substance

  • 1-Methyl-5-chloro-4-nitroimidazole

Synonyms

  • 5-23-04-00493 (Beilstein Handbook Reference)
  • 5-Chloro-1-methyl-4-nitroimidazole
  • AI3-51948
  • BRN 0136775
  • EINECS 225-521-2
  • Imidazole, 5-chloro-1-methyl-4-nitro-
  • PCMNI
  • S 50154-9
  • UNII-P917JW98BD

Systematic Names

  • 1H-Imidazole, 5-chloro-1-methyl-4-nitro-
  • 5-Chloro-1-methyl-4-nitroimidazole
  • Imidazole, 5-chloro-1-methyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 4897-25-0

FDA UNII

  • P917JW98BD

System Generated Number

  • 0004897250

Structure Descriptors

InChI

1S/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3

InChIKey

OSJUNMSWBBOTQU-UHFFFAOYSA-N

Smiles

c1(c(n(C)cn1)Cl)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.06 (none)   EXP
Water Solubility 1.52E+04 mg/L 25 EST
Vapor Pressure 2.83E-04 mm Hg 25 EST
Henry's Law Constant 2.34E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-12 cm3/molecule-sec 25 EST

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