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CS-W001157 4
Total: USD 88.00

2-Cyano-3-fluorobenzoic acid

  • CAS No. 1214379-33-5

  • Cat. No. CS-0133304
  • Purity≥98%
  • MDL No.MFCD14702324

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

2-Cyano-3-fluorobenzoic acid|CS-0133304

Structure of 1214379-33-5

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General Information

  • CAS No. 1214379-33-5
  • Cat. No. CS-0133304
  • Purity ≥98%
  • MDL No. MFCD14702324
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO₂
  • Molecular Weight 165.12
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=CC(F)=C1C#N

Description

2-Cyano-3-fluorobenzoic acid features a strategically positioned cyano and fluorine group on a benzoic acid scaffold, delivering enhanced electron-withdrawing character and metabolic stability. This combination enables direct incorporation into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds.

Application

2-Cyano-3-fluorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocycles and bioactive scaffolds. Its ortho-directed reactivity facilitates efficient cyclization and functional group interconversions. The molecule exhibits good bench stability, ease of purification, and compatibility with standard coupling protocols, making it well-suited for iterative synthesis campaigns targeting complex API intermediates.

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-P280-P302+P352

Quality Control

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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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