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

  • CAS No. 1427433-28-0

  • Cat. No. CS-0162974
  • Purity≥97%
  • MDL No.MFCD23712083

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

5-Bromo-3-fluoro-2-methylbenzoic acid|CS-0162974

Structure of 1427433-28-0

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General Information

  • CAS No. 1427433-28-0
  • Cat. No. CS-0162974
  • Purity ≥97%
  • MDL No. MFCD23712083
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₂
  • Molecular Weight 233.04
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(Br)=CC(F)=C1C

Description

5-Bromo-3-fluoro-2-methylbenzoic acid features a trifunctional aromatic core with bromine, fluorine, and methyl groups positioned for selective functionalization. This electron-deficient scaffold enables direct coupling in cross-coupling reactions and serves as a key intermediate in medicinal chemistry. The carboxylic acid group provides polarity and facilitates derivatization under standard conditions.

Application

5-Bromo-3-fluoro-2-methylbenzoic acid serves as a versatile building block for the synthesis of substituted aromatic compounds, enabling direct functionalization in late-stage diversification. Its orthogonal halogen and methyl groups facilitate selective cross-coupling reactions, while the carboxylic acid group supports derivatization via amide formation or esterification. The molecule exhibits good bench stability and is compatible with standard purification methods, making it well-suited for medicinal chemistry and process development workflows.

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

Quality Control

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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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