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CS-W001157 4
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4,5-Difluoro-2-hydroxybenzoic acid

  • CAS No. 205533-31-9

  • Cat. No. CS-0138267
  • Molecule weight174.10
  • Purity≥96%
  • MDL No.MFCD13185554

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

4,5-Difluoro-2-hydroxybenzoic acid|CS-0138267

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General Information

  • CAS No. 205533-31-9
  • Cat. No. CS-0138267
  • Purity ≥96%
  • MDL No. MFCD13185554
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₂O₃
  • Molecular Weight 174.10
  • Synonym(s) 4,5-Difluoro-2-hydroxy-benzoic acid
  • SMILES O=C(O)C1=CC(F)=C(F)C=C1O

Description

4,5-Difluoro-2-hydroxybenzoic acid features a strategically positioned hydroxyl group flanked by two fluorine substituents, enhancing its electron-withdrawing character and enabling robust participation in coupling reactions. This ortho-hydroxybenzoic acid derivative exhibits improved solubility and stability under standard conditions, facilitating direct incorporation into complex molecular architectures.

Application

4,5-Difluoro-2-hydroxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive scaffolds via standard esterification, amidation, or Suzuki coupling protocols. The ortho-hydroxyl group facilitates chelation in metal-catalyzed transformations, while the difluoro substitution enhances metabolic stability and modulates electronic properties. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step synthesis workflows.

Safety Information

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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   57.53
  • LogP   1.3686
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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