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CS-W001157 4
Total: USD 88.00

4-Fluorobenzene-1,3-dicarboxylic acid

  • CAS No. 327-95-7

  • Cat. No. CS-M3487
  • Purity≥98%
  • MDL No.MFCD06208805

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

4-Fluorobenzene-1,3-dicarboxylic acid|CS-M3487

Structure of 327-95-7

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General Information

  • CAS No. 327-95-7
  • Cat. No. CS-M3487
  • Purity ≥98%
  • MDL No. MFCD06208805
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅FO₄
  • Molecular Weight 184.12
  • Synonym(s) NSC 50699; 4-Fluor-isophtalsaeure
  • SMILES FC1=C(C(O)=O)C=C(C(O)=O)C=C1

Description

4-Fluorobenzene-1,3-dicarboxylic acid features a fluorinated aromatic core with two carboxylic acid groups in the meta configuration, enabling versatile conjugation and enhanced metabolic stability. This structure supports robust integration into pharmaceutical intermediates, polymers, and functional materials requiring electron-withdrawing character and controlled solubility under standard conditions.

Application

4-Fluorobenzene-1,3-dicarboxylic acid serves as a valuable building block in medicinal chemistry and materials science, enabling the synthesis of functionalized aromatic scaffolds. Its ortho-disubstituted fluorinated core provides enhanced metabolic stability and modulates electronic properties. The carboxylic acid groups facilitate straightforward derivatization via amide, ester, or salt formation, supporting diverse downstream applications including API intermediates and ligand design. Bench-stable and readily purified by recrystallization, it functions reliably in standard synthetic workflows.

Synthesis

  • Route1

    References

    • JE IL PHARMACEUTICAL CO., LTD. Patent: WO2004/113281 A1, 2004 ; Location in patent: Page 63 ;
  • Route2
    • null|null
      124-38-9
    • In-stock
      4-Fluorobenzoic acid|CS-W014393
      456-22-4
    • ~67%
    • In-stock
      4-Fluorobenzene-1,3-dicarboxylic acid|CS-M3487
      327-95-7

    References

    • Gohier, Frederic; Castanet, Anne-Sophie; Mortier, Jacques Journal of Organic Chemistry, 2005 , vol. 70, # 4 p. 1501 - 1504
  • Route3
    • 1-Fluoro-2,4-dimethylbenzene|CS-0197237
      452-65-3
    • ~%
    • In-stock
      4-Fluorobenzene-1,3-dicarboxylic acid|CS-M3487
      327-95-7

    References

    • Journal of the American Chemical Society, , vol. 65, p. 2308

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.2221
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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