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Substance Name: Pyrimidine, 2-bromo-
RN: 4595-60-2
InChIKey: PGFIHORVILKHIA-UHFFFAOYSA-N

Molecular Formula

  • C4-H3-Br-N2

Molecular Weight

  • 158.986
 
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Names and Synonyms

Synonyms

  • 2-Bromopyrimidine
  • EINECS 224-993-7
  • NSC 88935

Systematic Names

  • 2-Bromopyrimidine
  • Pyrimidine, 2-bromo-

Registry Numbers

CAS Registry Number

  • 4595-60-2

System Generated Number

  • 0004595602

Structure Descriptors

InChI

1S/C4H3BrN2/c5-4-6-2-1-3-7-4/h1-3H

InChIKey

PGFIHORVILKHIA-UHFFFAOYSA-N

Smiles

n1cccnc1Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant -1.63E+00 (none) 20 EXP
log P (octanol-water) 0.5 (none)   EXP
Water Solubility 2.59E+04 mg/L 25 EST
Vapor Pressure 0.867 mm Hg 25 EST
Henry's Law Constant 1.16E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-13 cm3/molecule-sec 25 EST

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