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CS-W001157 4
Total: USD 88.00

3-Fluorobenzoic acid

  • CAS No. 455-38-9

  • Cat. No. CS-W016469
  • Purity≥97%
  • MDL No.MFCD00002489

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

3-Fluorobenzoic acid|CS-W016469

Structure of 455-38-9

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General Information

  • CAS No. 455-38-9
  • Cat. No. CS-W016469
  • Purity ≥97%
  • MDL No. MFCD00002489
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅FO₂
  • Molecular Weight None
  • Synonym(s) meta-Fluorobenzoic acid
  • SMILES C1=C(C=CC=C1F)C(O)=O

Description

3-Fluorobenzoic acid features a fluorine atom at the meta position relative to the carboxylic acid group, imparting enhanced electron-withdrawing character and improved metabolic stability. This configuration supports efficient coupling reactions and facilitates incorporation into bioactive molecules requiring targeted polarity and lipophilicity profiles.

Application

3-Fluorobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of fluorinated aromatic motifs into target molecules. Its carboxylic acid functionality facilitates amide, ester, and acyl chloride transformations under standard conditions. The meta-fluoro substitution provides enhanced metabolic stability and modulates electronic properties, making it valuable for optimizing pharmacokinetic profiles in API development. Bench-stable and readily purified by recrystallization, it functions reliably in multistep syntheses and scale-up processes.

Synthesis

  • Route1
    • 1-(3-Fluorophenyl)ethane-1,2-diol|CS-0929023
      1041469-36-6
    • ~89%
    • In-stock
      3-Fluorobenzoic acid|CS-W016469
      455-38-9

    References

    • Shaikh, Tanveer Mahammadali; Hong, Fung-E Tetrahedron, 2013 , vol. 69, # 42 p. 8929 - 8935
  • Route2

    References

    • Choi, Joong-Kwon; Chang, Young-Kil; Hong, Sung Yeap Tetrahedron Letters, 1988 , vol. 29, # 16 p. 1967 - 1970
  • Route3
    • null|null
      124-38-9
    • In-stock
      1-Fluoro-3-iodobenzene|CS-W004077
      1121-86-4
    • ~54%
    • In-stock
      3-Fluorobenzoic acid|CS-W016469
      455-38-9

    References

    • Tran-Vu, Hung; Daugulis, Olafs ACS Catalysis, 2013 , vol. 3, # 10 p. 2417 - 2420

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.5239
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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