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CS-W001157 4
Total: USD 88.00

2-Chloro-4-fluoronicotinonitrile

  • CAS No. 1054552-27-0

  • Cat. No. CS-W021652
  • Purity≥98%
  • MDL No.MFCD27996745

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

2-Chloro-4-fluoronicotinonitrile|CS-W021652

Structure of 1054552-27-0

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General Information

  • CAS No. 1054552-27-0
  • Cat. No. CS-W021652
  • Purity ≥98%
  • MDL No. MFCD27996745
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂ClFN₂
  • Molecular Weight 156.55
  • Synonym(s) None
  • SMILES N#CC1=C(Cl)N=CC=C1F

Description

2-Chloro-4-fluoronicotinonitrile features a strategically positioned nitrile group flanked by chlorine and fluorine substituents on a pyridine ring, delivering enhanced electron-withdrawing character. This configuration enables efficient incorporation into advanced synthetic intermediates for pharmaceuticals and agrochemicals, particularly in transition-metal-catalyzed coupling reactions where controlled reactivity and stability are critical.

Application

2-Chloro-4-fluoronicotinonitrile serves as a versatile building block in the synthesis of heterocyclic scaffolds, particularly for pharmaceutical intermediates. Its ortho-halogenated nitrile functionality enables direct coupling reactions via palladium-catalyzed cross-coupling and nucleophilic substitution. The molecule exhibits good bench stability and facilitates efficient functionalization under standard reaction conditions, making it valuable for rapid diversification in medicinal chemistry workflows.

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

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.74578
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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