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5-BROMOPYRAZINE-2-CARBONITRILE

5-BROMOPYRAZINE-2-CARBONITRILE structure

5-BROMOPYRAZINE-2-CARBONITRILE 

structure
  • CAS No:

    221295-04-1

  • Formula:

    C5H2BrN3

  • Chemical Name:

    5-BROMOPYRAZINE-2-CARBONITRILE

  • Synonyms:

    2-BROMO-5-CYANOPYRAZINE;5-BROMOPYRAZINE-2-CARBONITRILE;2-Pyrazinecarbonitrile, 5-bromo- Pyrazinecarbonitrile, 5-bromo- (9CI);2-Pyrazinecarbonitrile, 5-broMo-;2-Bromo-5-cyanopyrazine, 2-Bromo-5-cyano-1,4-diazine

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

5-BROMOPYRAZINE-2-CARBONITRILE Basic Attributes

183.99

182.943207

DTXSID90653322

2933990090

Characteristics

49.6

1

1.9±0.1 g/cm3

264.7ºC at 760 mmHg

113.9±25.9 °C

1.618

0.01mmHg at 25°C

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-BROMOPYRAZINE-2-CARBONITRILE Use and Manufacturing

ii) 5-Aminopyrazine-2-carbonitrile (0.208 mmol) in acetonitrile (1 mL) was added portionwise to a stirred solution of copper (II) bromide (0.25 mmol) and t-butylnitrite (0.31 mmol) in acetonitrile (2 mL) and the reaction mixture was maintained at 60 ° C. for 1 h. The reaction was diluted with ethyl acetate (15 mL) and washed twice with 1N HCl (aqueous). Purification was done by chromatography (silica, hexane; ethyl acetate) to yield the title compound (49percent). In a dry flask under argon was added

Computed Properties

Molecular Weight:183.99
XLogP3:1
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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