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CS-W001157 4
Total: USD 88.00

5-bromo-2,4-dimethylbenzoic acid

  • CAS No. 842136-27-0

  • Cat. No. CS-W000151
  • Purity≥98%
  • MDL No.None

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

5-bromo-2,4-dimethylbenzoic acid|CS-W000151

Structure of 842136-27-0

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General Information

  • CAS No. 842136-27-0
  • Cat. No. CS-W000151
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₂
  • Molecular Weight 229.07
  • Synonym(s) 5-bromo-2,4-dimethyl-benzoic acid
  • SMILES Cc1cc(C)c(cc1Br)C(O)=O

Description

5-Bromo-2,4-dimethylbenzoic acid features a bromine substituent at the 5-position paired with methyl groups at the 2- and 4-positions, creating a sterically hindered, electron-deficient aromatic core. This configuration enhances stability and facilitates selective coupling reactions in synthetic pathways. The carboxylic acid group enables direct derivatization or salt formation for improved solubility and handling.

Application

5-Bromo-2,4-dimethylbenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. Its ortho-methyl groups enhance steric control in coupling processes, while the carboxylic acid functionality facilitates direct derivatization or salt formation. The molecule exhibits excellent bench stability and compatibility with standard purification techniques, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

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   2.76414
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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