3-(Trifluoromethyl)thiophenol

Basic Information

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CAS Number

937-00-8

Molecular Formula

C7H5F3S

Molecular Weight

178.18 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

163°C

Density

1.314

Flash Point

71-72°C/20mm

Refractive Index

1.49

SMILES

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C1=CC(=CC(=C1)S)C(F)(F)F

InChI

InChI=1S/C7H5F3S/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H

InChIKey

SCURCOWZQJIUGR-UHFFFAOYSA-N

LogP

2.9941000000000004

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

132

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Stench

Synonyms & References

English

3-(trifluoromethyl)thiophenol
3-(Trifluoromethyl)benzenethiol
3-Hydroxy-alpha,alpha,alpha-trifluoro(thioanisole)
3-Mercaptobenzotrifluoride
m-Toluenethiol,a,a,a-trifluoro- (6CI,7CI,8CI)
NSC 88281
m-(Trifluoromethyl)thiophenol
m-Trifluoromethylbenzenethiol
3-(Trifluoromethyl)benzenethiol (ACI)
m-Toluenethiol, α,α,α-trifluoro- (6CI, 7CI, 8CI)
3-(Trifluoromethyl)thiophenol
J-511027
m-Trifluormethyl-thiophenol
DTXSID40239539
3-trifluoromethyl benzene thiol
3-Trifluoromethyl thiophenol
Z104498808
3-Trifluoromethylbenzenethiol
NYHAYFWCYAKMLC-UHFFFAOYSA-N
STL505966
SCHEMBL68703
T2780
NCIOpen2_001443
3-(trifluoromethyl)benzene thiol
3-(trifluoromethyl)benzenethiol
NSC88281
PS-8557
937-00-8
3-(trifluoromethyl)-benzenethiol
EN300-07355
3-trifloromethylthiophenol

MDL Number

MFCD00041142

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 3-(Trifluoromethyl)thiophenol (CAS: 937-00-8)?

3-(Trifluoromethyl)thiophenol (CAS: 937-00-8) is a colorless to yellow liquid with a molecular weight of approximately 194.07 g/mol. It has a moderate solubility in water but is highly soluble in organic solvents. It is known for its high reactivity, particularly in electrophilic substitution reactions. Its crystalline form has a melting point around 118-120°C. This compound is often used in organic synthesis due to its reactivity and stability in functional group transformations.

How is 3-(Trifluoromethyl)thiophenol (CAS: 937-00-8) typically synthesized?

3-(Trifluoromethyl)thiophenol can be synthesized through various routes, commonly involving the bromination of thiophenol followed by nucleophilic substitution with trifluoromethyl sulfide. This process requires strict control of reaction conditions to achieve high selectivity and yield. Specific catalysts such as sodium hydride or potassium tert-butoxide have been used to enhance the reaction’s efficiency and product purity.

What industries use 3-(Trifluoromethyl)thiophenol (CAS: 937-00-8)?

3-(Trifluoromethyl)thiophenol (CAS: 937-00-8) is primarily used in the pharmaceutical industry for the synthesis of drugs, as well as in polymer chemistry to improve material properties. It is also utilized in sensor technology for detecting specific gases and in semiconductor applications for etching processes. Its unique chemical structure and reactivity make it invaluable in these specialized fields.

What precautions should be taken when handling 3-(Trifluoromethyl)thiophenol (CAS: 937-00-8)?

When handling 3-(Trifluoromethyl)thiophenol (CAS: 937-00-8), it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a laboratory coat. This compound should be used in a well-ventilated fume hood to minimize exposure. Proper spill management procedures must be in place, and the safety data sheet (SDS) should be consulted for detailed emergency response guidelines. Handling should be conducted with caution due to its reactivity and potential for causing skin and eye irritation.