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CS-W001157 4
Total: USD 88.00

4-Chloro-2-fluorobenzoic acid

  • CAS No. 446-30-0

  • Cat. No. CS-W017485
  • Purity≥98%
  • MDL No.MFCD00042468

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

4-Chloro-2-fluorobenzoic acid|CS-W017485

Structure of 446-30-0

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General Information

  • CAS No. 446-30-0
  • Cat. No. CS-W017485
  • Purity ≥98%
  • MDL No. MFCD00042468
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClFO₂
  • Molecular Weight 174.56
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(Cl)C=C1F

Description

4-Chloro-2-fluorobenzoic acid features a strategically positioned carboxylic acid group flanked by chlorine and fluorine substituents, enabling precise electronic tuning. This electron-deficient aromatic scaffold integrates readily into pharmaceutical intermediates, offering enhanced metabolic stability and controlled reactivity under standard conditions.

Application

4-Chloro-2-fluorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation of ortho-halogenated aromatic motifs into bioactive scaffolds. Its carboxylic acid group facilitates amide bond formation and esterification under standard conditions, while the complementary chlorine and fluorine substituents support palladium-catalyzed cross-coupling reactions. The molecule exhibits excellent bench stability and is readily purified by recrystallization, making it ideal for high-throughput synthesis workflows.

Synthesis

  • Route1

    References

    • Yang, Fan; Sun, Jing; Zheng, Rui; Qiu, Wenwei; Tang, Jie; He, Mingyuan Tetrahedron, 2004 , vol. 60, # 5 p. 1225 - 1228

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   37.3
  • LogP   2.1773
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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