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CS-W001157 4
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1H-Imidazole-2-carbonitrile

  • CAS No. 31722-49-3

  • Cat. No. CS-W021330
  • Purity≥97%
  • MDL No.MFCD08668415

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

1H-Imidazole-2-carbonitrile|CS-W021330

Structure of 31722-49-3

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General Information

  • CAS No. 31722-49-3
  • Cat. No. CS-W021330
  • Purity ≥97%
  • MDL No. MFCD08668415
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃N₃
  • Molecular Weight 93.09
  • Synonym(s) 2-Cyanoimidazole
  • SMILES N#CC1=NC=CN1

Description

1H-Imidazole-2-carbonitrile features a nitrogen-rich heterocyclic core paired with a reactive nitrile group, enabling direct incorporation into bioactive scaffolds. This bench-stable compound serves as a key building block for pharmaceutical intermediates and functional materials, leveraging its dual electronic and synthetic versatility in cross-coupling and cyclization reactions.

Application

1H-Imidazole-2-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of imidazole-based scaffolds through nucleophilic addition and coupling reactions. Its nitrile group facilitates transformations to amides, amines, and carboxylic acids under standard conditions, while the imidazole core provides inherent hydrogen-bonding capacity and metabolic stability. Bench-stable and readily purified by recrystallization, it functions reliably in multistep syntheses for API development and functionalized heterocycle assembly.

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   52.47
  • LogP   0.28138
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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