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

  • CAS No. 415965-24-1

  • Cat. No. CS-W006866
  • Purity≥97%
  • MDL No.MFCD08458245

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

4-Bromo-2-fluoro-5-methylbenzoic acid|CS-W006866

Structure of 415965-24-1

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General Information

  • CAS No. 415965-24-1
  • Cat. No. CS-W006866
  • Purity ≥97%
  • MDL No. MFCD08458245
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₂
  • Molecular Weight 233.03
  • Synonym(s) Fluoro-4-bromo-5-methylbenzoic acid
  • SMILES O=C(O)C1=CC(C)=C(Br)C=C1F

Description

4-Bromo-2-fluoro-5-methylbenzoic acid features a trifunctional aromatic core with halogen and alkyl substituents that enable precise functionalization in medicinal chemistry. The electron-deficient ring facilitates coupling reactions, while the carboxylic acid group provides a handle for derivatization. This bench-stable reagent integrates readily into complex molecular architectures under standard conditions.

Application

4-Bromo-2-fluoro-5-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into biologically active scaffolds via standard coupling reactions. Its orthogonal functionalization—combining bromine for cross-coupling, fluorine for metabolic stability, and a methyl group for steric modulation—facilitates efficient derivatization. The carboxylic acid functionality enables amide formation and esterification under mild conditions, offering robust access to diverse analogs with predictable reactivity profiles. Bench-stable and readily purified by recrystallization, it supports scalable synthesis and reproducible workflows in API 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   37.3
  • LogP   2.59482
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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