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221295-04-1

221295-04-1 Structure

221295-04-1 Structure
IdentificationBack Directory
[Name]

5-BROMOPYRAZINE-2-CARBONITRILE
[CAS]

221295-04-1
[Synonyms]

2-BROMO-5-CYANOPYRAZINE
5-BROMOPYRAZINE-2-CARBONITRILE
2-Pyrazinecarbonitrile, 5-broMo-
5-BROMOPYRAZINE-2-CARBONITRILE ISO 9001:2015 REACH
2-Bromo-5-cyanopyrazine, 2-Bromo-5-cyano-1,4-diazine
2-Pyrazinecarbonitrile, 5-bromo- Pyrazinecarbonitrile, 5-bromo- (9CI)
[Molecular Formula]

C5H2BrN3
[MDL Number]

MFCD09909652
[MOL File]

221295-04-1.mol
[Molecular Weight]

183.99
Chemical PropertiesBack Directory
[Boiling point ]

264.7±35.0 °C(Predicted)
[density ]

1.86±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

crystalline solid
[pka]

-5.41±0.10(Predicted)
[color ]

Faint peach
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P280
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMOPYRAZINE-2-CARBONITRILE(221295-04-1)1HNMR
5-BROMOPYRAZINE-2-CARBONITRILE(221295-04-1)FT-IR
Hazard InformationBack Directory
[Synthesis]

2-AMINO-5-CYANOPYRAZINE

113305-94-5

5-BROMOPYRAZINE-2-CARBONITRILE

221295-04-1

ii) 5-Aminopyrazine-2-carbonitrile (0.208 mmol) was dissolved in acetonitrile (1 mL) and added slowly and dropwise to a stirred solution of copper (II) bromide (0.25 mmol) and tert-butyl nitrite (0.31 mmol) in acetonitrile (2 mL). The reaction mixture was stirred at a constant temperature at 60 °C for 1 hour. After completion of the reaction, the reaction solution was diluted with ethyl acetate (15 mL) and washed twice with 1N aqueous hydrochloric acid. The organic phase was dried over anhydrous sodium sulfate and purified by silica gel column chromatography (eluent: hexane/ethyl acetate) to afford the target compound 2-bromo-5-cyanopyrazine in 49% yield.1H NMR (CDCl3) δ (ppm): 8.83 (s, 1H); 8.71 (s, 1H).

[References]

[1] Patent: US2007/37820, 2007, A1. Location in patent: Page/Page column 15
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