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Substance Name: MTR 1-80
RN: 933-87-9
InChIKey: PQZGBZGIQGQAFD-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-Br-N3-O2

Molecular Weight

  • 205.999
 
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Names and Synonyms

Results Name

  • MTR 1-80

Name of Substance

  • 1-Methyl-5-bromo-4-nitroimidazole

Synonyms

  • MTR 1-80
  • NSC 329116

Systematic Name

  • 1H-Imidazole, 5-bromo-1-methyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 933-87-9

System Generated Number

  • 0000933879

Structure Descriptors

InChI

1S/C4H4BrN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3

InChIKey

PQZGBZGIQGQAFD-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.36 (none)   EXP
Water Solubility 8180 mg/L 25 EST
Vapor Pressure 9.37E-05 mm Hg 25 EST
Henry's Law Constant 1.26E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.43E-12 cm3/molecule-sec 25 EST

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