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CS-W001157 4
Total: USD 88.00

4-Bromo-2-fluoro-6-methylbenzoic acid

  • CAS No. 1242157-23-8

  • Cat. No. CS-0054155
  • Purity≥98%
  • MDL No.None

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

4-Bromo-2-fluoro-6-methylbenzoic acid|CS-0054155

Structure of 1242157-23-8

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General Information

  • CAS No. 1242157-23-8
  • Cat. No. CS-0054155
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₂
  • Molecular Weight 233.03
  • Synonym(s) 4-bromo-2-fluoro-6-methyl benzoic acid
  • SMILES CC1=CC(Br)=CC(F)=C1C(O)=O

Description

4-Bromo-2-fluoro-6-methylbenzoic acid features a trifunctional aromatic core with bromo, fluoro, and methyl substituents positioned for orthogonal reactivity. This electron-deficient platform enables direct coupling in cross-coupling reactions and serves as a key building block in medicinal chemistry. The carboxylic acid group facilitates derivatization under standard conditions, while the ortho-fluoro and para-bromo groups enable selective functionalization.

Application

4-Bromo-2-fluoro-6-methylbenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling direct incorporation of halogenated aromatic motifs. Its orthogonal reactivity profile—combining bromine for cross-coupling and fluorine for metabolic stability—facilitates late-stage functionalization. The methyl group enhances lipophilicity and provides a site for oxidation or further derivatization. Bench-stable and readily purified by recrystallization, it functions effectively in Suzuki, Stille, and Negishi coupling protocols.

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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