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CS-W001157 4
Total: USD 88.00

3,6-Difluorophthalic acid

  • CAS No. 651-97-8

  • Cat. No. CS-W015522
  • Molecule weight202.11
  • Purity≥97%
  • MDL No.MFCD03840499

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

3,6-Difluorophthalic acid|CS-W015522

Structure of 651-97-8

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General Information

  • CAS No. 651-97-8
  • Cat. No. CS-W015522
  • Purity ≥97%
  • MDL No. MFCD03840499
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₂O₄
  • Molecular Weight 202.11
  • Synonym(s) 3,6-difluorobenzene-1,2-dicarboxylic acid
  • SMILES O=C(O)C1=C(F)C=CC(F)=C1C(O)=O

Description

3,6-Difluorophthalic acid features a rigid aromatic core with strategically positioned fluorine atoms at the 3 and 6 positions, enhancing electron-withdrawal and metabolic stability. This difunctional scaffold integrates readily into polymers and bioconjugates, offering improved solubility and thermal resilience under standard conditions.

Application

3,6-Difluorophthalic acid serves as a valuable building block in the synthesis of fluorinated aromatic scaffolds and pharmaceutical intermediates. Its ortho-dicarboxylic acid functionality enables efficient amide formation, esterification, and cyclization reactions, while the geminal difluoro substitution enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and facilitates purification via recrystallization, making it well-suited for use in iterative synthetic sequences and API development workflows.

Synthesis

  • Route1
    • 2-(Diethylcarbamoyl)-3,6-difluorobenzoic acid|CS-0444387
      131401-56-4
    • ~%
    • In-stock
      3,6-Difluorophthalic acid|CS-W015522
      651-97-8

    References

    • Synthetic Communications, , vol. 20, # 14 p. 2139 - 2146
  • Route2
    • null|null
      35730-09-7
    • ~%
    • In-stock
      3,6-Difluorophthalic acid|CS-W015522
      651-97-8

    References

    • Synthetic Communications, , vol. 20, # 14 p. 2139 - 2146
  • Route3
    • N,N-Diethyl-2,5-difluorobenzamide|CS-0871592
      131401-55-3
    • ~%
    • In-stock
      3,6-Difluorophthalic acid|CS-W015522
      651-97-8

    References

    • Synthetic Communications, , vol. 20, # 14 p. 2139 - 2146

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

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.3612
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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