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

  • CAS No. 7697-28-1

  • Cat. No. CS-W002178
  • Purity≥96%
  • MDL No.MFCD00039526

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

4-Bromo-3-methylbenzoic acid|CS-W002178

Structure of 7697-28-1

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General Information

  • CAS No. 7697-28-1
  • Cat. No. CS-W002178
  • Purity ≥96%
  • MDL No. MFCD00039526
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₂
  • Molecular Weight 215.04
  • Synonym(s) 4-Bromo-m-toluic acid (COOH=1)
  • SMILES OC(=O)c1ccc(c(c1)C)Br

Description

4-Bromo-3-methylbenzoic acid features a strategically positioned bromine atom and methyl group on the aromatic ring, enabling selective functionalization in synthetic sequences. This electron-deficient carboxylic acid integrates readily into pharmaceutical intermediates and materials chemistry applications under standard conditions.

Application

4-Bromo-3-methylbenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling direct functionalization at the aromatic ring via palladium-catalyzed cross-coupling reactions. The carboxylic acid group facilitates derivatization into amides, esters, or acyl chlorides, while the bromo and methyl substituents provide orthogonal handles for further elaboration. Its bench-stable solid form and predictable reactivity support reliable use in multi-step syntheses.

Synthesis

  • Route1

    References

    • NICHOLAS PIRAMAL INDIA LIMITED Patent: WO2006/51477 A2, 2006 ; Location in patent: Page/Page column 54 ;
  • Route2

    References

    • WAKAMOTO PHARMACEUTICAL CO., LTD. Patent: WO2006/51851 A1, 2006 ; Location in patent: Page/Page column 64-65 ;
  • Route3

    References

    • US2011/46133 A1, ; Page/Page column 53-54 ;

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   2.45572
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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