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CS-W001157 4
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4-Chloro-5-fluoronicotinonitrile

  • CAS No. 1009334-65-9

  • Cat. No. CS-0130951
  • Purity≥97%
  • MDL No.MFCD13191767

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

4-Chloro-5-fluoronicotinonitrile|CS-0130951

Structure of 1009334-65-9

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General Information

  • CAS No. 1009334-65-9
  • Cat. No. CS-0130951
  • Purity ≥97%
  • MDL No. MFCD13191767
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂ClFN₂
  • Molecular Weight 156.54
  • Synonym(s) 4-chloro-5-fluoropyridine-3-carbonitrile
  • SMILES N#CC1=C(Cl)C(F)=CN=C1

Description

4-Chloro-5-fluoronicotinonitrile features a strategically positioned nitrile group flanked by chlorine and fluorine substituents on a pyridine ring, delivering enhanced electron deficiency for use in cross-coupling reactions. This bench-stable compound integrates readily into complex heterocyclic architectures, enabling efficient access to advanced pharmaceutical intermediates under standard conditions.

Application

4-Chloro-5-fluoronicotinonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds via nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its complementary halogen (Cl) and fluorine (F) substituents facilitate sequential functionalization, while the nitrile group provides a handle for derivatization. The compound exhibits good bench stability and is compatible with standard reaction conditions, making it valuable for rapid lead optimization and API intermediate synthesis.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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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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