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Home > Encyclopedia > 5-BROMO-4-CYANOPYRIMIDINE

5-BROMO-4-CYANOPYRIMIDINE

5-BROMO-4-CYANOPYRIMIDINE structure

5-BROMO-4-CYANOPYRIMIDINE 

structure
  • CAS No:

    114969-66-3

  • Formula:

    C5H2BrN3

  • Chemical Name:

    5-BROMO-4-CYANOPYRIMIDINE

  • Synonyms:

    5-BROMO-4-CYANOPYRIMIDINE;4-Cyano-5-bromopyrimidine;5-Bromo-4-cyanopyrinidine;5-bromo-4-Pyrimidinecarbonitrile

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

5-BROMO-4-CYANOPYRIMIDINE Basic Attributes

184

182.943207

DTXSID60551366

2933599090

Characteristics

49.6

0.9

1.86±0.1 g/cm3(Predicted)

328.6±27.0 °C(Predicted)

152.5±23.7 °C

1.618

5-BROMO-4-CYANOPYRIMIDINE Use and Manufacturing

ii) 5-Bromopyrimidine-1-oxide (0.46 mmol) was treated with trimethylsilylcyanide (0.92 mmol) and triethylamine (1.84 mmol) in acetonitrile (50 mL) at ambient temperature for 2 h. The crude product was concentrated and purified by chromatography (silica gel, hexanes/ethyl acetate) to yield the title compound (0.46 g, 20percent).

Computed Properties

Molecular Weight:183.99
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Exact Mass:182.94321
Monoisotopic Mass:182.94321
Topological Polar Surface Area:49.6
Heavy Atom Count:9
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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