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CS-W001157 4
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3-Bromo-2-fluoro-6-methyl-benzoic acid

  • CAS No. 1427433-22-4

  • Cat. No. CS-0161064
  • Molecule weight233.03
  • Purity≥98%
  • MDL No.MFCD23712077

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

3-Bromo-2-fluoro-6-methyl-benzoic acid|CS-0161064

Structure of 1427433-22-4

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General Information

  • CAS No. 1427433-22-4
  • Cat. No. CS-0161064
  • Purity ≥98%
  • MDL No. MFCD23712077
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₂
  • Molecular Weight 233.03
  • Synonym(s) None
  • SMILES O=C(O)C1=C(C)C=CC(Br)=C1F

Description

3-Bromo-2-fluoro-6-methyl-benzoic acid features a sterically hindered aromatic core with complementary halogen and methyl substituents, enabling selective coupling reactions. The carboxylic acid group provides a robust handle for derivatization under standard conditions, while the electron-withdrawing bromo and fluoro functionalities enhance reactivity in transition-metal-catalyzed transformations.

Application

3-Bromo-2-fluoro-6-methyl-benzoic acid serves as a versatile building block for the synthesis of substituted aromatic systems, particularly in medicinal chemistry and agrochemical research. Its orthogonal halogenation pattern (Br at C3, F at C2, Me at C6) enables selective cross-coupling reactions, including Suzuki and Stille couplings, while the carboxylic acid group facilitates direct derivatization or incorporation into biologically active scaffolds. The compound exhibits good bench stability and is compatible with standard purification techniques.

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-P330-P362-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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