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CS-W001157 4
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3,5,6-Trichloropyrazine-2-carbonitrile

  • CAS No. 30818-40-7

  • Cat. No. CS-0158531
  • Purity≥97%
  • MDL No.MFCD28099394

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

3,5,6-Trichloropyrazine-2-carbonitrile|CS-0158531

Structure of 30818-40-7

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General Information

  • CAS No. 30818-40-7
  • Cat. No. CS-0158531
  • Purity ≥97%
  • MDL No. MFCD28099394
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅Cl₃N₃
  • Molecular Weight 208.43
  • Synonym(s) 3,5,6-trichloro-pyrazine-2-carbonitrile
  • SMILES C(#N)C1=NC(=C(Cl)N=C1Cl)Cl

Description

3,5,6-Trichloropyrazine-2-carbonitrile features a highly electron-deficient pyrazine core substituted with three chlorine atoms and a nitrile group, enabling robust coupling in cross-coupling reactions. This configuration enhances reactivity in transition metal-catalyzed transformations while maintaining stability under standard conditions.

Application

3,5,6-Trichloropyrazine-2-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling the construction of complex pyrazine-based scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its three chloro groups at electron-deficient positions facilitate sequential functionalization, while the carbonitrile group provides additional reactivity for downstream transformations. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for use in medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   2.30848
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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