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CS-W001157 4
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3-Chloropyrazine-2-carbonitrile

  • CAS No. 55557-52-3

  • Cat. No. CS-W001897
  • Purity≥97%
  • MDL No.MFCD00219653

*For research and further manufacturing use only, not for direct human use.

3-Chloropyrazine-2-carbonitrile|CS-W001897

Structure of 55557-52-3

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General Information

  • CAS No. 55557-52-3
  • Cat. No. CS-W001897
  • Purity ≥97%
  • MDL No. MFCD00219653
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂ClN₃
  • Molecular Weight 139.54
  • Synonym(s) 3-chloropyrazin-2-carbonitrile
  • SMILES ClC1=NC=CN=C1C#N

Description

3-Chloropyrazine-2-carbonitrile features a fused heterocyclic core with complementary electron-withdrawing groups, enabling efficient coupling in cross-coupling reactions. The chloro and cyano functionalities offer orthogonal reactivity for modular synthesis of functionalized pyrazine derivatives under standard conditions.

Application

3-Chloropyrazine-2-carbonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the pyrazine core via nucleophilic substitution. Its chloro group exhibits high reactivity toward amines, thiols, and alcohols under mild conditions, facilitating rapid diversification of heterocyclic scaffolds. The nitrile functionality provides additional handle for transformation, including hydrolysis or reduction, while maintaining compatibility with common protecting groups. Bench-stable and readily purified by crystallization, it supports scalable synthesis of kinase inhibitors and other nitrogen-containing bioactive compounds.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   1.00168
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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