4-[(Trifluoromethyl)sulfanyl]benzonitrile

Basic Information

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CAS Number

332-26-3

Molecular Formula

C8H4F3NS

Molecular Weight

203.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

39-43 °C

Boiling Point

209.6°C at 760 mmHg

Density

1.454

Flash Point

83.3°C

Refractive Index

1.535

SMILES

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C1=CC(=CC=C1C#N)SC(F)(F)F

InChI

InChI=1S/C8H4F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H

InChIKey

ONQNILXHGUBPPM-UHFFFAOYSA-N

LogP

3.17018

Complexity

209

Safety Information

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Hazard Statement

Sensitiveness

Stench

Synonyms & References

English

AKOS005255076
EN300-7399044
4-[(trifluoromethyl)sulphanyl]benzenecarbonitrile
4-((trifluoromethyl)thio)benzonitrile
4-[(Trifluoromethyl)thio]benzonitrile
SCHEMBL516309
332-26-3
CS-0313211
4-TRIFLUOROMETHYLSULFANYL-BENZONITRILE
MFCD00039475
4-(trifluoromethylsulfanyl)benzonitrile
4-(Trifluoromethylthio)benzonitrile
AS-5319
4-(Trifluoromethylthio)benzonitrile, 98%
A821677
J-019097
4-[(trifluoromethyl)sulfanyl]benzonitrile
DTXSID30381399
FT-0616951
4-(trifluoromethylthio)benzonitrile
4-Trifluormethylmercapto-benzonitril
4-trifluoromethylsulfanyl-benzonitrile
p-cyanophenyl trifluoromethyl sulfide
Benzonitrile,p-[(trifluoromethyl)thio]- (8CI)

MDL Number

MFCD00039475

FAQ

What are the physical and chemical properties of 4-[(Trifluoromethyl)sulfanyl]benzonitrile (CAS: 332-26-3)?

4-[(Trifluoromethyl)sulfanyl]benzonitrile is a colorless to pale yellow liquid. The molecular weight is approximately 260.07 g/mol. It has a low solubility in water but is soluble in common organic solvents. This compound is mildly reactive, particularly towards nucleophiles. It crystallizes in the monoclinic system. It is stable under normal conditions but may decompose at high temperatures or upon exposure to strong oxidizing agents.

How is 4-[(Trifluoromethyl)sulfanyl]benzonitrile (CAS: 332-26-3) typically synthesized?

4-[(Trifluoromethyl)sulfanyl]benzonitrile is typically synthesized via the reaction of 4-(trifluoromethylthio)benzoyl chloride with potassium cyanide. This reaction requires aprotic solvents like dichloromethane or tetrahydrofuran. The process is carried out at room temperature, and the yield is usually around 70-80%. The intermediate benzoyl chloride can be prepared from 4-(trifluoromethylthio)benzoic acid through a suitable protecting group strategy.

What industries use 4-[(Trifluoromethyl)sulfanyl]benzonitrile (CAS: 332-26-3)?

4-[(Trifluoromethyl)sulfanyl]benzonitrile (CAS: 332-26-3) finds applications in the pharmaceutical industry for the synthesis of certain drug molecules. It is also used in the semiconductor industry as a precursor in chemical vapor deposition processes. Additionally, it has potential applications in the production of polymers and sensors due to its unique chemical properties.

What precautions should be taken when handling 4-[(Trifluoromethyl)sulfanyl]benzonitrile (CAS: 332-26-3)?

When handling 4-[(Trifluoromethyl)sulfanyl]benzonitrile (CAS: 332-26-3), it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place, away from direct sunlight and sources of heat. It should be handled in a well-ventilated area or a fume hood to minimize inhalation risk. In case of spillage, immediately clean up the area using appropriate safety equipment and consult the Material Safety Data Sheet (MSDS) for further instructions. This chemical is not classified as hazardous but requires careful handling due to its reactivity and potential for skin and eye irritation.