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CS-W001157 4
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1H-Benzimidazole-4-carbonitrile

  • CAS No. 64574-21-6

  • Cat. No. CS-0060375
  • Purity≥97%
  • MDL No.None

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

1H-Benzimidazole-4-carbonitrile|CS-0060375

Structure of 64574-21-6

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General Information

  • CAS No. 64574-21-6
  • Cat. No. CS-0060375
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃
  • Molecular Weight 143.15
  • Synonym(s) 7-Cyanobenzimidazole
  • SMILES C1=CC(=C2C(=C1)N=CN2)C#N

Description

1H-Benzimidazole-4-carbonitrile is a bench-stable heterocyclic scaffold featuring a nitrile group at the 4-position, enabling direct functionalization in synthetic transformations. This electron-deficient aromatic system integrates readily into pharmaceutical intermediates and advanced materials, offering enhanced solubility and compatibility under standard reaction conditions.

Application

1H-Benzimidazole-4-carbonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its nitrile group provides a handle for downstream functionalization, while the benzimidazole core offers robust stability and favorable pharmacophoric properties. The compound exhibits excellent bench stability and compatibility with standard purification methods, facilitating efficient integration into multi-step synthetic sequences.

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   1.43458
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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