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2-(Phenylthio)-5-(trifluoromethyl)benzonitrile(CAS: 52548-95-5)

2-(Phenylthio)-5-(trifluoromethyl)benzonitrile
CAS Number

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Basic Information

Molecular Formula
C14H8F3NS
Molecular Weight
279.28 g/mol

Physical Properties

Boiling Point
354°C at 760 mmHg
Density
1.35
Flash Point
167.9°C

Chemical Identifiers

SMILES
C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(F)(F)F)C#N
InChIKey
GLHKBIKSXBHAAO-UHFFFAOYSA-N

Database References

MDL Number
MFCD00069139

FAQ

2-(Phenylthio)-5-(trifluoromethyl)benzonitrile is a crystalline solid with a molecular weight of approximately 319.04 g/mol. It has limited water solubility and good solubility in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong nucleophiles. It is used in the synthesis of functional materials and pharmaceuticals.
2-(Phenylthio)-5-(trifluoromethyl)benzonitrile is synthesized via a multi-step process, usually involving the nucleophilic substitution of a trifluoromethylated benzyl halide with phenyl thiol. Commonly, this is achieved using a palladium-catalyzed cross-coupling reaction. The yield and selectivity are generally high, depending on the reaction conditions.
2-(Phenylthio)-5-(trifluoromethyl)benzonitrile is used in the pharmaceutical and polymer industries for the development of specialized compounds and materials. It also finds applications in the production of sensors and semiconductors due to its specific functional groups.
When handling 2-(Phenylthio)-5-(trifluoromethyl)benzonitrile, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and ignition sources. Spills should be handled with care, and the material safety data sheet (MSDS) should be consulted for detailed instructions.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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