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CS-W001157 4
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4-Bromo-5-fluoro-2-methoxybenzoic acid

  • CAS No. 1780187-45-2

  • Cat. No. CS-0160805
  • Molecule weight249.03
  • Purity≥98%
  • MDL No.MFCD25459672

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

4-Bromo-5-fluoro-2-methoxybenzoic acid|CS-0160805

Structure of 1780187-45-2

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General Information

  • CAS No. 1780187-45-2
  • Cat. No. CS-0160805
  • Purity ≥98%
  • MDL No. MFCD25459672
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₃
  • Molecular Weight 249.03
  • Synonym(s) 4-Bromo-5-fluoro-2-methoxy-benzoic acid
  • SMILES O=C(O)C1=CC(F)=C(Br)C=C1OC

Description

4-Bromo-5-fluoro-2-methoxybenzoic acid features a strategically positioned bromo and fluoro substituent on a methoxy-substituted benzoic acid scaffold, enabling selective functionalization in synthetic routes. This electron-deficient aromatic core integrates readily into pharmaceutical intermediates and advanced materials, offering enhanced reactivity under standard coupling conditions.

Application

4-Bromo-5-fluoro-2-methoxybenzoic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-substituted aryl core enables efficient palladium-catalyzed cross-coupling reactions, while the carboxylic acid functionality facilitates direct derivatization or salt formation. The bromo and fluoro groups offer complementary reactivity for sequential functionalization, and the methoxy group provides moderate stability under standard reaction conditions. This compound is bench-stable, readily purified by recrystallization, and compatible with common synthetic workflows in medicinal chemistry and process development.

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   46.53
  • LogP   2.295
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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