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4-(Trifluoromethyl)benzonitrile(CAS: 455-18-5)

4-(Trifluoromethyl)benzonitrile
CAS Number

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Basic Information

Molecular Formula
C8H4F3N
Molecular Weight
171.12 g/mol

Physical Properties

Melting Point
39-41 °C (lit.)
Boiling Point
81°C/20mmHg(lit.)

Chemical Identifiers

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

Database References

MDL Number
MFCD00001826
Beilstein Registry Number
2046478

FAQ

4-(Trifluoromethyl)benzonitrile is an organic compound with the chemical formula C8H5F3N. It is a colorless liquid with a characteristic aromatic odor. The compound contains a trifluoromethyl group attached to a benzene ring with a nitrile functional group, making it highly reactive and useful in various chemical applications. It is commonly used as an intermediate in the synthesis of pharmaceuticals and other fine chemicals.
4-(Trifluoromethyl)benzonitrile is widely used in pharmaceutical research for the development of drugs targeting neurological and metabolic disorders. It also serves as an industrial chemical in the production of agrochemicals and polymers. Its unique chemical structure makes it valuable in organic synthesis and for creating fluorinated compounds with enhanced properties.
4-(Trifluoromethyl)benzonitrile is considered toxic and should be handled with care. It can cause skin and eye irritation, and inhalation may lead to respiratory issues. Safety standards recommend using appropriate personal protective equipment (PPE), such as gloves and goggles, and working in well-ventilated areas. It is classified as a hazardous substance under various chemical safety regulations.
4-(Trifluoromethyl)benzonitrile should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed, glass or stainless steel container to maintain stability. Storage conditions should be below 25°C to prevent degradation, and it should be kept away from incompatible substances to ensure safety.

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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