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17231-51-5

17231-51-5 Structure

17231-51-5 Structure
IdentificationBack Directory
[Name]

3-AMINO-6-BROMOPYRAZINE-2-CARBONITRILE
[CAS]

17231-51-5
[Synonyms]

2-AMINO-5-BROMO-3-CYANOPYRAZINE
2-Amino-3-cyano-5-bromopyrazine
3-AMINO-6-BROMOPYRAZINE-2-CARBONITRILE
2-Pyrazinecarbonitrile, 3-amino-6-bromo-
3-Amino-6-bromopyrazine-2-carbonitrile 98%
3-AMINO-6-BROMOPYRAZINE-2-CARBONITRILE, 95+%
3-AMINO-6-BROMOPYRAZINE-2-CARBONITRILE ISO 9001:2015 REACH
[Molecular Formula]

C5H3BrN4
[MDL Number]

MFCD06658300
[MOL File]

17231-51-5.mol
[Molecular Weight]

199.01
Chemical PropertiesBack Directory
[Melting point ]

183-184 °C(Solv: benzene (71-43-2))
[Boiling point ]

341.0±42.0 °C(Predicted)
[density ]

1.94±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

-0.11±0.10(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-41
[Safety Statements ]

26-39
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

3-AMINO-6-BROMOPYRAZINE-2-CARBONITRILE(17231-51-5)1HNMR
3-AMINO-6-BROMOPYRAZINE-2-CARBONITRILE(17231-51-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-AMINOPYRAZINE-2-CARBONITRILE

25911-65-3

3-AMINO-6-BROMOPYRAZINE-2-CARBONITRILE

17231-51-5

Bromine (0.95 mL, 19 mmol) was added slowly and dropwise to a solution of 3-aminopyrazine-2-carbonitrile (1.7 g, 14 mmol) in acetic acid (40 mL) at room temperature. The reaction mixture was heated to 60 °C and held for 30 min, followed by cooling to room temperature. The mixture was poured into ice water and the precipitated solid was collected by filtration. After sufficient washing with water, 3-amino-6-bromopyrazine-2-carbonitrile was obtained as a yellow solid (2.3 g, 83% yield). The product was characterized by 1H NMR (500 MHz, DMSO-d6): δ 8.44 (s, 1H), 7.60 (br s, 2H). Mass spectrum (ES+): m/z 199 (M+H)+.

[References]

[1] Journal of Organic Chemistry, 1987, vol. 52, # 18, p. 3997 - 4000
[2] Patent: US2007/259876, 2007, A1. Location in patent: Page/Page column 18
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