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4-[(Trifluoromethyl)sulfanyl]benzonitrile(CAS: 332-26-3)

4-[(Trifluoromethyl)sulfanyl]benzonitrile
CAS Number

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Basic Information

Molecular Formula
C8H4F3NS
Molecular Weight
203.19 g/mol

Physical Properties

Melting Point
39-43 °C (lit.)
Boiling Point
209.6°C at 760 mmHg
Density
1.454
Flash Point
83.3°C

Chemical Identifiers

SMILES
C1=CC(=CC=C1C#N)SC(F)(F)F
InChIKey
ONQNILXHGUBPPM-UHFFFAOYSA-N

Database References

MDL Number
MFCD00039475

FAQ

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.
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.
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.
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.

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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