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3-Bromo-5-fluoro-2-methylbenzoic acid

  • CAS No. 1187318-52-0

  • Cat. No. CS-0059674
  • Purity≥97%
  • MDL No.MFCD19440362

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

3-Bromo-5-fluoro-2-methylbenzoic acid|CS-0059674

Structure of 1187318-52-0

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General Information

  • CAS No. 1187318-52-0
  • Cat. No. CS-0059674
  • Purity ≥97%
  • MDL No. MFCD19440362
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₂
  • Molecular Weight 233.03
  • Synonym(s) 2-methyl-3-bromo-5-fluorobenzoic acid
  • SMILES BrC=1C(=C(C=C(C1)F)C(O)=O)C

Description

3-Bromo-5-fluoro-2-methylbenzoic acid features a trifunctional aromatic core enabling precise molecular tuning in medicinal chemistry. The ortho-methyl group enhances metabolic stability, while the bromo and fluoro substituents provide orthogonal reactivity for cross-coupling and targeted electronic modulation. This bench-stable derivative delivers high functional group compatibility under standard conditions.

Application

3-Bromo-5-fluoro-2-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted aromatic scaffolds. Its strategic placement of bromo, fluoro, and methyl groups facilitates sequential cross-coupling reactions and functional group interconversions. The carboxylic acid moiety supports direct derivatization or incorporation into bioactive molecules, while the compound exhibits good bench stability and ease of purification in standard synthetic workflows.

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-P362+P364-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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