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CS-W001157 4
Total: USD 88.00

2,5-Difluoro-4-methoxybenzoic acid

  • CAS No. 1060739-01-6

  • Cat. No. CS-0102045
  • Purity≥97%
  • MDL No.MFCD11847151

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

2,5-Difluoro-4-methoxybenzoic acid|CS-0102045

Structure of 1060739-01-6

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General Information

  • CAS No. 1060739-01-6
  • Cat. No. CS-0102045
  • Purity ≥97%
  • MDL No. MFCD11847151
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₃
  • Molecular Weight 188.13
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(F)=C(OC)C=C1F

Description

2,5-Difluoro-4-methoxybenzoic acid features a strategically positioned trifunctional aromatic core with electron-withdrawing fluorine atoms and a methoxy group enhancing solubility and metabolic stability. This configuration enables direct integration into pharmaceutical scaffolds and synthetic intermediates requiring precise electronic tuning and orthogonal reactivity.

Application

2,5-Difluoro-4-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds common in bioactive molecules. Its orthogonal functionality—combining electron-withdrawing fluorine atoms with a methoxy group and a carboxylic acid—facilitates diverse downstream transformations, including amide coupling, esterification, and Suzuki-Miyaura cross-coupling. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for high-throughput screening campaigns and process-scale applications.

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

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.6716
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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