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CS-W001157 4
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4-Bromo-2-fluoro-3-methylbenzoic acid

  • CAS No. 194804-90-5

  • Cat. No. CS-0041782
  • Purity≥95%
  • MDL No.MFCD22052783

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

4-Bromo-2-fluoro-3-methylbenzoic acid|CS-0041782

Structure of 194804-90-5

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General Information

  • CAS No. 194804-90-5
  • Cat. No. CS-0041782
  • Purity ≥95%
  • MDL No. MFCD22052783
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₂
  • Molecular Weight 233.04
  • Synonym(s) 2-Fluoro-4-bromo-3-methyl-benzoic acid
  • SMILES O=C(O)C1=CC=C(Br)C(C)=C1F

Description

4-Bromo-2-fluoro-3-methylbenzoic acid features a trifunctional aromatic core with halogen and methyl substituents positioned for orthogonal reactivity. This bench-stable derivative enables direct coupling in late-stage functionalization, integrating seamlessly into pharmaceutical intermediates and bioactive molecule scaffolds.

Application

4-Bromo-2-fluoro-3-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering orthogonal reactivity through its bromo, fluoro, and methyl substituents. The carboxylic acid group enables direct derivatization via amide, ester, or acyl chloride formation, while the halogen atoms facilitate palladium-catalyzed cross-coupling reactions. Bench-stable and compatible with standard purification methods, it functions effectively in multi-step syntheses of functionalized aromatic scaffolds.

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   37.3
  • LogP   2.59482
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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