3-Fluoro-5-methylbenzonitrile
- CAS No.216976-30-6
- GradeIndustrial / Pharmaceutical
- Availability● In Stock
High-purity 3-Fluoro-5-methylbenzonitrile (CAS 216976-30-6), a versatile fluorinated aromatic intermediate for advanced organic synthesis in pharmaceutical and agrochemical manufacturing.
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Product Overview
3-Fluoro-5-methylbenzonitrile is a high-value fluorinated aromatic nitrile widely employed as a key building block in modern organic synthesis. With its unique substitution pattern—featuring both electron-withdrawing cyano and fluorine groups alongside an electron-donating methyl moiety—this compound offers exceptional reactivity and selectivity in cross-coupling, nucleophilic substitution, and heterocycle-forming reactions. It serves as a critical intermediate in the development of complex active pharmaceutical ingredients (APIs) and specialty agrochemicals.
Specifications
| Molecular Formula | C8H6FN |
|---|---|
| Molecular Weight | 135.14 g/mol |
| CAS Number | 216976-30-6 |
| Appearance | White to off-white powder |
| Purity (GC) | ≥99.0% |
| Melting Point | 50–52°C |
| Boiling Point | 83–85°C |
| Density | 1.54 g/cm³ |
| Flash Point | 75°F (24°C) |
| Storage | Store in a cool, dry, and well-ventilated area away from incompatible materials |
Industrial Applications
As a specialized fluoroaromatic intermediate, 3-Fluoro-5-methylbenzonitrile is primarily utilized in multi-step synthetic sequences for the production of bioactive molecules. Its structural features enable precise molecular engineering in drug discovery pipelines, particularly in the construction of kinase inhibitors, CNS-targeted therapeutics, and novel crop protection agents. The compound’s high purity ensures consistent reaction yields and minimizes downstream purification challenges in GMP-compliant manufacturing environments.
- Ideal for Suzuki, Buchwald-Hartwig, and other palladium-catalyzed transformations
- Enables regioselective functionalization due to orthogonal directing effects
- Supplied in scalable quantities with full analytical documentation (COA, GC/HPLC traces)
Packaging is typically 25 kg per fiber drum, with custom options available to meet specific logistical or regulatory requirements.
