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CS-W001157 4
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2-Chloro-4-fluorobenzoic acid

  • CAS No. 2252-51-9

  • Cat. No. CS-D1753
  • Purity≥97%
  • MDL No.MFCD00010615

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

2-Chloro-4-fluorobenzoic acid|CS-D1753

Structure of 2252-51-9

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General Information

  • CAS No. 2252-51-9
  • Cat. No. CS-D1753
  • Purity ≥97%
  • MDL No. MFCD00010615
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClFO₂
  • Molecular Weight 174.56
  • Synonym(s) 2-chloro-4-fluorobenzoate
  • SMILES O=C(O)C1=CC=C(F)C=C1Cl

Description

2-Chloro-4-fluorobenzoic acid was used in the preparation of 2-(2-chloro-4-fluorophenyl)-benzothiazole.

Application

2-Chloro-4-fluorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of ortho-chloro and meta-fluoro substituents into aromatic scaffolds. Its carboxylic acid functionality facilitates facile derivatization via amide, ester, or acyl chloride formation, while the halogen atoms support subsequent palladium-catalyzed cross-coupling reactions. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for high-throughput synthetic workflows.

Synthesis

  • Route1

    References

    • Wheeler, Thomas N.; Craig, Todd A.; Morland, Robert B.; Ray, John, A. Synthesis, 1987 , # 10 p. 883 - 887
  • Route2
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    • In-stock
      2-Chloro-4-fluorobenzoic acid|CS-D1753
      2252-51-9

    References

    • Journal of the Chemical Society, , p. 2784 - 2787
  • Route3

    References

    • Journal of the Chemical Society, , p. 2784 - 2787

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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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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