4-[(Trifluoromethyl)sulfanyl]benzoyl chloride

Basic Information

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CAS Number

330-14-3

Molecular Formula

C8H4ClF3OS

Molecular Weight

240.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

229-230 °C

Refractive Index

n20/D 1.5220(lit.)

SMILES

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C1=CC(=CC=C1C(=O)Cl)SC(F)(F)F

InChI

InChI=1S/C8H4ClF3OS/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H

InChIKey

BCMFTOCCLOAGBP-UHFFFAOYSA-N

LogP

3.677500000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

211

Safety Information

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Hazard Statement

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

MFCD01631632
4-trifluoromethylsulfanyl-benzoyl chloride
4-(Trifluoromethylthio)benzoylchloride
T2745
4-[(Trifluoromethyl)sulphanyl]benzoyl chloride
DTXSID10380688
AKOS015853063
AM62334
C8H4ClF3OS
CS-W012803
4-((Trifluoromethyl)thio)benzoylchloride
J-018975
4-(trifluoro-methylthio)benzoyl chloride
PS-10734
4-(Trifluoromethylthio)benzoyl chloride, 97%
SCHEMBL282471
4-((Trifluoromethyl)thio)benzoyl chloride
4-(trifluoromethylsulfanyl)benzoyl chloride
4-[(Trifluoromethyl)thio]benzoyl chloride
330-14-3
4-trifluomethylthio benzoyl chloride
4-(trifluoromethylthio)-benzoylchloride
A821564
4-(Trifluoromethylthio)benzoyl chloride
FT-0616952
Benzoyl chloride, 4-[(trifluoromethyl)thio]-
4-trifluomethylthio-benzoyl chloride
4-Trifluormethylmercapto-benzoylchlorid
Benzoylchloride, p-[(trifluoromethyl)thio]- (6CI,8CI)
4-Trifluoromethylsulfanylbenzoyl chloride
p-[(Trifluoromethyl)thio]benzoyl chloride

MDL Number

MFCD00191452

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 4-[(Trifluoromethyl)sulfanyl]benzoyl chloride (CAS: 330-14-3)?

4-[(Trifluoromethyl)sulfanyl]benzoyl chloride (CAS: 330-14-3) is a solid at room temperature with a crystalline form. Its molecular weight is approximately 326.02 g/mol. It is practically insoluble in water but soluble in organic solvents like dichloromethane and acetonitrile. This compound is highly reactive and can undergo nucleophilic substitution reactions, making it a useful reagent in organic synthesis.

How is 4-[(Trifluoromethyl)sulfanyl]benzoyl chloride (CAS: 330-14-3) typically synthesized?

4-[(Trifluoromethyl)sulfanyl]benzoyl chloride (CAS: 330-14-3) can be synthesized through a multi-step process. Typically, trifluoromethyl sulfide is reacted with benzoyl chloride in the presence of a suitable catalyst, such as a Lewis acid, at a controlled temperature. The reaction yields a high yield of the target compound with excellent selectivity, making it a practical method for industrial synthesis.

What industries use 4-[(Trifluoromethyl)sulfanyl]benzoyl chloride (CAS: 330-14-3)?

4-[(Trifluoromethyl)sulfanyl]benzoyl chloride (CAS: 330-14-3) is primarily used in the pharmaceuticals and polymer industries. It serves as a key intermediate in the synthesis of various drug candidates and polymers with specific chemical properties. Additionally, it may have applications in the sensor and semiconductor industries due to its unique chemical reactivity and stability.

What precautions should be taken when handling 4-[(Trifluoromethyl)sulfanyl]benzoyl chloride (CAS: 330-14-3)?

When handling 4-[(Trifluoromethyl)sulfanyl]benzoyl chloride (CAS: 330-14-3), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure to the air. In case of a spill, immediate cleaning with water and appropriate absorbent materials should be performed. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.