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CS-W001157 4
Total: USD 88.00

3,5-Dibromo-2-methylbenzoic acid

  • CAS No. 100958-94-9

  • Cat. No. CS-0161175
  • Purity≥97%
  • MDL No.None

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

3,5-Dibromo-2-methylbenzoic acid|CS-0161175

Structure of 100958-94-9

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General Information

  • CAS No. 100958-94-9
  • Cat. No. CS-0161175
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆Br₂O₂
  • Molecular Weight 293.94
  • Synonym(s) 3,5-DI BROMO-2-METHYL BENZOIC ACID
  • SMILES O=C(O)C1=CC(Br)=CC(Br)=C1C

Description

3,5-Dibromo-2-methylbenzoic acid features a sterically constrained benzoic acid core bearing two bromine substituents at the 3 and 5 positions and a methyl group at the 2 position. This electron-deficient aromatic system facilitates direct functionalization in cross-coupling reactions and serves as a robust building block for synthesizing complex pharmaceutical intermediates and bioactive heterocycles under standard conditions.

Application

3,5-Dibromo-2-methylbenzoic acid serves as a versatile building block for brominated aromatic scaffolds in medicinal chemistry and materials science. The carboxylic acid group enables direct amidation, esterification, or coupling reactions, while the ortho-methyl and dibromo substituents provide steric and electronic modulation. Its bench-stable crystalline form facilitates handling and purification, and the bromine atoms support subsequent cross-coupling transformations such as Suzuki or Stille reactions.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.21822
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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