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CS-W001157 4
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4,5-Difluorophthalic acid

  • CAS No. 18959-31-4

  • Cat. No. CS-W019362
  • Purity≥96%
  • MDL No.MFCD00077514

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

4,5-Difluorophthalic acid|CS-W019362

Structure of 18959-31-4

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General Information

  • CAS No. 18959-31-4
  • Cat. No. CS-W019362
  • Purity ≥96%
  • MDL No. MFCD00077514
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₂O₄
  • Molecular Weight 202.11
  • Synonym(s) 4,5-Difluorophthalicaci
  • SMILES O=C(O)C1=CC(F)=C(F)C=C1C(=O)O

Description

4,5-Difluorophthalic acid features a rigid aromatic core with two strategically positioned fluorine atoms that enhance electron-withdrawing character and metabolic stability. This dicarboxylic acid integrates readily into polymeric frameworks and serves as a key building block in the synthesis of fluorinated heterocycles and functional materials.

Application

4,5-Difluorophthalic acid serves as a versatile building block in medicinal chemistry and materials science, enabling efficient construction of fluorinated heterocycles and aromatic scaffolds. Its dual carboxylic acid functionalities facilitate coupling reactions with amines, alcohols, and hydrazides under standard conditions, while the ortho-fluoro substituents enhance metabolic stability and modulate electronic properties. The compound exhibits excellent bench stability and ease of purification, making it well-suited for high-throughput synthesis and process development workflows.

Synthesis

  • Route1

    References

    • US2006/223830 A1, ; Page/Page column 39 ; US 20060223830 A1

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
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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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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