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CS-W001157 4
Total: USD 88.00

2-Cyano-4-fluorobenzoic acid

  • CAS No. 1214369-42-2

  • Cat. No. CS-0157762
  • Purity≥97%
  • MDL No.MFCD11110402

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

2-Cyano-4-fluorobenzoic acid|CS-0157762

Structure of 1214369-42-2

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General Information

  • CAS No. 1214369-42-2
  • Cat. No. CS-0157762
  • Purity ≥97%
  • MDL No. MFCD11110402
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO₂
  • Molecular Weight 165.12
  • Synonym(s) 4-fluoro-2-cyanobenzoic acid
  • SMILES C1=C(C=C(C#N)C(=C1)C(=O)O)F

Description

2-Cyano-4-fluorobenzoic acid features a strategically positioned cyano group and fluorine atom on the aromatic ring, delivering enhanced electron-withdrawing character and metabolic stability. This combination enables efficient coupling in amide bond formation and facilitates incorporation into bioactive scaffolds requiring precise electronic tuning.

Application

2-Cyano-4-fluorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocycles and bioactive scaffolds. Its orthogonal functional groups—cyano, fluoro, and carboxylic acid—facilitate diverse transformations including amide coupling, nucleophilic substitution, and cyclization reactions. The compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows and scale-up applications.

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   61.09
  • LogP   1.39558
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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