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4-Chloro-2,6-difluorobenzonitrile(CAS: 886500-41-0)

4-Chloro-2,6-difluorobenzonitrile
CAS Number

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Basic Information

Molecular Formula
C7H2ClF2N
Molecular Weight
17.03 g/mol

Chemical Identifiers

SMILES
C1=C(C=C(C(=C1F)C#N)F)Cl
InChIKey
ABNYHMNNQYZWIM-UHFFFAOYSA-N

Database References

MDL Number
MFCD06660237

FAQ

4-Chloro-2,6-difluorobenzonitrile is a white crystalline solid with a molecular weight of approximately 237.02 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol, methanol, and acetone. Chemically, it is relatively stable but can react with nucleophiles under appropriate conditions. It has a melting point of 54-56°C and a boiling point of 250-255°C at 10 mmHg. It is a potent electrophile and a good starting material for various organic transformations.
4-Chloro-2,6-difluorobenzonitrile is typically synthesized via the Friedel-Crafts alkylation of 2,6-difluorobenzene with chloromethyl ketone followed by nitrile hydrolysis. The reaction proceeds under acidic conditions with a yield of about 70-80%. Suitable catalysts include aluminum chloride. The reaction is selective and efficient, making it a commonly used method in the industry.
4-Chloro-2,6-difluorobenzonitrile finds application in the pharmaceutical, polymer, and semiconductor industries. It is used as an intermediate in the synthesis of various pharmaceuticals, particularly in the treatment of inflammatory and allergic diseases. In the polymer industry, it is used as a monomer for the production of special plastics. Additionally, it is utilized in the development of sensors and as a precursor in the semiconductor industry for creating specific electronic structures.
When handling 4-Chloro-2,6-difluorobenzonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be immediately cleaned up with appropriate absorbents, and the area should be flushed with water. Keep the compound away from combustible materials and ensure proper disposal according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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