5-Bromo-2-fluoro-m-xylene cas no 99725-44-7

4-Bromo-2,6-dimethylfluorobenzene is a halogenated aromatic compound featuring a fluorine atom at the para-position and bromine at the meta-position relative to two methyl groups. Its unique substitution pattern makes it a valuable ​intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing complex fluorinated scaffolds.

Physical Properties

• ​Molecular Formula: C₈H₈BrF
• ​Molecular Weight: 203.05 g/mol
• ​Appearance: Colorless to pale yellow liquid or low-melting solid
• ​Boiling Point: ~220–230 °C (estimated)
• ​Melting Point: ~25–35 °C (may vary by purity)
• ​Density: ~1.4–1.5 g/cm³ (approximate)
• ​Solubility:
  • Soluble in organic solvents (e.g., DCM, ether, ethanol).
  • Insoluble in water.
• ​Refractive Index: ~1.48–1.50 (at 20 °C)
• ​Storage: Stable under inert conditions; light-sensitive (store in amber glass).

​Applications

1. ​Pharmaceuticals:
   • Key building block for ​fluorinated drug candidates, especially in CNS and anti-inflammatory agents.
   • Used in Suzuki couplings to introduce aryl-bromo motifs.
2. ​Agrochemicals:
   • Intermediate for fluorinated pesticides/herbicides.
3. ​Material Science:
   • Precursor for liquid crystals or OLED materials via cross-coupling reactions.
4. ​Research:
   • Explored in Pd-catalyzed C–F bond functionalization studies.

​Safety Notes

• ​Toxicity: Irritant (skin/eyes); handle with PPE.
• ​Flammability: Combustible liquid—avoid open flames.