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CS-W001157 4
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4-(Pyridin-4-yl)benzonitrile

  • CAS No. 144397-70-6

  • Cat. No. CS-0044937
  • Purity≥98%
  • MDL No.MFCD06801940

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

4-(Pyridin-4-yl)benzonitrile|CS-0044937

Structure of 144397-70-6

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General Information

  • CAS No. 144397-70-6
  • Cat. No. CS-0044937
  • Purity ≥98%
  • MDL No. MFCD06801940
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈N₂
  • Molecular Weight 180.21
  • Synonym(s) Benzonitrile, 4-(4-pyridinyl)-
  • SMILES N#CC1=CC=C(C2=CC=NC=C2)C=C1

Description

4-(Pyridin-4-yl)benzonitrile features a dual aromatic system linked by a direct bond, combining a pyridine ring with a nitrile-bearing phenyl group. This configuration imparts strong electron-withdrawing character and enhanced planarity, enabling efficient π-stacking in supramolecular architectures. The molecule exhibits excellent stability under standard handling conditions and demonstrates favorable solubility in common organic solvents, facilitating its integration into catalytic systems, ligand design, and functional material synthesis.

Application

4-(Pyridin-4-yl)benzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling the construction of biaryl scaffolds through palladium-catalyzed cross-coupling reactions. Its dual functional groups—pyridine and nitrile—offer orthogonal reactivity, enhancing synthetic flexibility in drug discovery and ligand design. The compound exhibits excellent bench stability, facilitates straightforward purification, and functions reliably in standard coupling protocols.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.62028
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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