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CS-W001157 4
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3-Bromo-2-fluoro-5-methylbenzoic acid

  • CAS No. 72518-16-2

  • Cat. No. CS-0153368
  • Purity≥97%
  • MDL No.MFCD00506954

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

3-Bromo-2-fluoro-5-methylbenzoic acid|CS-0153368

Structure of 72518-16-2

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General Information

  • CAS No. 72518-16-2
  • Cat. No. CS-0153368
  • Purity ≥97%
  • MDL No. MFCD00506954
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO₂
  • Molecular Weight 233.04
  • Synonym(s) None
  • SMILES CC1=CC(=C(C(=C1)Br)F)C(=O)O

Description

3-Bromo-2-fluoro-5-methylbenzoic acid features a trifunctional aromatic core with bromine, fluorine, and methyl substituents positioned for orthogonal reactivity. The carboxylic acid group enables direct coupling or derivatization under standard conditions. This electron-deficient aryl scaffold supports efficient transition-metal-catalyzed transformations and serves as a key building block in medicinal chemistry and materials synthesis.

Application

3-Bromo-2-fluoro-5-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of halogenated aromatic motifs into complex scaffolds. Its strategic substitution pattern—bromine at C3, fluorine at C2, and methyl at C5—facilitates palladium-catalyzed cross-coupling reactions while maintaining compatibility with standard functional group manipulations. The carboxylic acid moiety allows for derivatization via amide, ester, or acyl chloride formation, supporting modular synthesis. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step synthetic sequences requiring precise regiocontrol.

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-P280-P302+P352

Quality Control

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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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