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4-Fluoro-3-(trifluoromethyl)benzonitrile(CAS: 67515-59-7)

4-Fluoro-3-(trifluoromethyl)benzonitrile
CAS Number

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Basic Information

Molecular Formula
C8H3F4N
Molecular Weight
189.11 g/mol

Physical Properties

Melting Point
66.0 to 70.0 deg-C
Boiling Point
194 ºC
Density
1.4
Flash Point
193-195℃
Water Solubility
Insoluble in water.

Chemical Identifiers

SMILES
C1=CC(=C(C=C1C#N)C(F)(F)F)F
InChIKey
CQZQCORFYSSCFY-UHFFFAOYSA-N

Database References

MDL Number
MFCD00061284
Beilstein Registry Number
1960344

FAQ

4-Fluoro-3-(trifluoromethyl)benzonitrile (CAS: 67515-59-7) is a crystalline solid with a molecular weight of approximately 260.07 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetonitrile. The compound is relatively stable but can undergo hydrolysis under basic conditions. It is a strong electrophile and can undergo nucleophilic substitution reactions.
4-Fluoro-3-(trifluoromethyl)benzonitrile can be synthesized via a Friedel-Crafts alkylation of 3-(trifluoromethyl)benzonitrile with fluoroalkyl halides. The reaction typically requires the use of a Lewis acid catalyst, such as aluminum chloride, and is carried out in a suitable organic solvent. The yield is generally good, with selectivity towards the desired product.
4-Fluoro-3-(trifluoromethyl)benzonitrile is used in various industries, including pharmaceuticals for the synthesis of certain drugs, and in the production of polymers and monomers. It also finds applications in sensor technology and as a building block in semiconductor manufacturing processes.
Proper handling of 4-Fluoro-3-(trifluoromethyl)benzonitrile requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up carefully using absorbent materials, and the area should be washed down. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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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