2-(Phenylthio)-5-(trifluoromethyl)benzonitrile | CAS No. 52548-95-5

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

Basic Information

CAS Number

52548-95-5

Molecular Formula

C14H8F3NS

Molecular Weight

279.28 g/mol

AD

Basic Physical Properties

Boiling Point

354°C at 760 mmHg

Density

1.35

Flash Point

167.9°C

Refractive Index

1.585

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(F)(F)F)C#N

InChI

InChI=1S/C14H8F3NS/c15-14(16,17)11-6-7-13(10(8-11)9-18)19-12-4-2-1-3-5-12/h1-8H

InChIKey

GLHKBIKSXBHAAO-UHFFFAOYSA-N

LogP

4.72828

Complexity

340

Safety Information

View Safety Information

Hazard Statement

Hazard Class

Class TOXIC Class TOXIC

Synonyms & References

English

  • 2-cyano-4-(trifluoromethyl)diphenylsulfide
  • 2-Cyano-4-(trifluoroMethyl)diphenylsulphide
  • 2-Cyano-4-(trifluoromethyl)phenyl phenyl sulfide
  • 2-(PHENYLTHIO)-5-(TRIFLUOROMETHYL)BENZONITRILE
  • 2-phenylsulfanyl-5-(trifluoromethyl)benzonitrile
  • AKOS005083014
  • 2-Phenylsulfanyl-5-trifluoromethyl-benzonitrile
  • 2-(phenylthio)-5-(trifluoromethyl)benzonitrile
  • MFCD00069139
  • DB-020971
  • 1L-584S
  • 2-Cyano-4-(trifluoromethyl)diphenylsulfide
  • 2-(phenylthio)-5-trifluoromethyl-benzonitrile
  • 2-(phenylsulfanyl)-5-(trifluoromethyl)benzonitrile
  • 2-phenylsulfanyl-5-(trifluoromethyl)benzenecarbonitrile
  • SCHEMBL11707664
  • DTXSID80363408
  • 2-Cyano-4-(trifluoromethyl)diphenylsulphide
  • 52548-95-5
  • CS-0327071
  • A829140

MDL Number

MFCD00069139

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 2-(Phenylthio)-5-(trifluoromethyl)benzonitrile (CAS: 52548-95-5)?

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.

How is 2-(Phenylthio)-5-(trifluoromethyl)benzonitrile (CAS: 52548-95-5) typically synthesized?

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.

What industries use 2-(Phenylthio)-5-(trifluoromethyl)benzonitrile (CAS: 52548-95-5)?

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.

What precautions should be taken when handling 2-(Phenylthio)-5-(trifluoromethyl)benzonitrile (CAS: 52548-95-5)?

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.

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