For chemists and R&D professionals engaged in advanced organic synthesis, a thorough understanding of the chemical properties and reactivity of intermediates is crucial. 3,4-Difluorobenzonitrile is one such compound, offering a unique combination of functional groups that make it a versatile tool for constructing complex molecules. This article provides a technical overview of 3,4-Difluorobenzonitrile, highlighting its characteristics and applications in chemical synthesis, and guiding professionals on how to procure it effectively.

Chemical Structure and Properties of 3,4-Difluorobenzonitrile

3,4-Difluorobenzonitrile (CAS No. 6424-62-0) is an aromatic nitrile characterized by a benzene ring substituted with two fluorine atoms at the meta and para positions relative to the nitrile group. This specific arrangement of substituents significantly influences its electronic properties and reactivity.

  • Molecular Formula: C7H3F2N
  • Molecular Weight: 139.10 g/mol
  • Physical State: Typically appears as a white to light yellow crystalline powder.
  • Melting Point: Reported in the range of 52-54°C (lit.), indicating it is a solid at room temperature.
  • Boiling Point: Approximately 180°C, facilitating purification via distillation under appropriate conditions.
  • Flash Point: 157 °F (69.4 °C), providing an indication of its flammability.
  • Assay: High purity grades, usually ≥98.0%, are commercially available, which is critical for sensitive synthetic transformations.

The electron-withdrawing nature of the fluorine atoms and the nitrile group activates the aromatic ring towards nucleophilic aromatic substitution under certain conditions. Conversely, the nitrile group itself can undergo various transformations, such as reduction to amines, hydrolysis to carboxylic acids, or participation in cycloaddition reactions.

Reactivity and Synthetic Utility

Chemists often leverage 3,4-Difluorobenzonitrile in various synthetic pathways:

  • Nucleophilic Aromatic Substitution (SNAr): The fluorine atoms, particularly the one ortho to the nitrile group, can be susceptible to displacement by strong nucleophiles, allowing for the introduction of diverse functional groups onto the aromatic ring.
  • Nitrile Group Transformations: The nitrile moiety can be reduced to a primary amine (e.g., using LiAlH4 or catalytic hydrogenation), hydrolyzed to a carboxylic acid (e.g., under acidic or basic conditions), or converted to an amide. These transformations are fundamental steps in building more complex molecular structures.
  • Coupling Reactions: Modifications to the aromatic ring, such as lithiation or halogenation at other positions, can enable participation in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira, Buchwald-Hartwig), further expanding its synthetic utility.

Procuring High-Quality 3,4-Difluorobenzonitrile

For R&D scientists and manufacturers needing to buy 3,4-Difluorobenzonitrile, sourcing from reputable chemical suppliers is essential. When you purchase 3,4-Difluorobenzonitrile, always prioritize suppliers who can provide a detailed Certificate of Analysis confirming the ≥98.0% assay. Manufacturers in China are often key suppliers for such intermediates, offering competitive pricing and a wide range of research and bulk quantities. When requesting a price for 3,4-Difluorobenzonitrile, inquire about packaging options (e.g., 25 kg drums) and lead times to ensure alignment with project timelines.

Partnering with a knowledgeable 3,4-Difluorobenzonitrile supplier can provide valuable technical insights. Whether for creating new pharmaceuticals, agrochemicals, or advanced materials, having a reliable source for this versatile intermediate is paramount for successful chemical synthesis.