Phenyl trifluoromethyl sulfone

Basic Information

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CAS Number

426-58-4

Molecular Formula

C7H5F3O2S

Molecular Weight

210.18 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

203°C

Flash Point

101.1±27.3 ºC,

Refractive Index

1.4637 (20 ºC)

SMILES

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

InChI

InChI=1S/C7H5F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H

InChIKey

UPGBQYFXKAKWQC-UHFFFAOYSA-N

LogP

1.9801

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

256

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Benzene, [(trifluoromethyl)sulfonyl]-
Phenyl Trifluoromethyl Sulfone
Phenyl (trifluoromethyl) sulfone
trifluoromethylsulfonylbenzene
(TrifluoroMethane)sulfonylbenzene
4-trifluoromethylsulfonyl benzene
Phenyltriflate
trifluoromethyl phenyl sulfone
FS 13
Trifluoromethanesulfonylbenzene
Phenyl trifluoromethyl sulfone
trifluoromethanesulfonylbenzene
(Trifluoromethane)sulfonylbenzene
phenyltrifluoromethyl sulfone
426-58-4
Phenyl trifluoromethylsulfone
[(Trifluoromethyl)sulfonyl]benzene #
AMY3091
DB-298883
SULFONE,PHENYL-TRIFLUOROMETHYL
CS-0114496
phenyltrifluoromethylsulfone
P2195
AS-40530
(Trifluoromethyl) phenyl sulfone
((trifluoromethyl)sulfonyl)benzene
DTXSID90879040
SY056488
MFCD00159083
trifluoromethylphenyl sulfone
SCHEMBL777153

MDL Number

MFCD00159083

Customs Code

2904909090

FAQ

What are the physical and chemical properties of Phenyl trifluoromethyl sulfone (CAS: 426-58-4)?

Phenyl trifluoromethyl sulfone (CAS: 426-58-4) is a colorless to light yellow liquid with a molecular weight of 222.07 g/mol. It has a high boiling point and is poorly soluble in water but readily soluble in organic solvents. The compound is stable under normal conditions but can react with strong bases. It is often used in organic synthesis due to its reactivity and stability under certain conditions.

How is phenyl trifluoromethyl sulfone (CAS: 426-58-4) typically synthesized?

Phenyl trifluoromethyl sulfone (CAS: 426-58-4) is typically synthesized via a substitution reaction where trifluoromethyl sulfone (CF3SO2O) reacts with phenol (C6H5OH) in the presence of a base catalyst such as potassium carbonate (K2CO3) or sodium hydride (NaH). The yield and selectivity of the reaction can be improved by optimizing reaction conditions, including temperature and solvent choice.

What industries use phenyl trifluoromethyl sulfone (CAS: 426-58-4)?

Phenyl trifluoromethyl sulfone (CAS: 426-58-4) is used in various industries such as pharmaceuticals, where it serves as a functional group for introducing special substituents in organic synthesis. It is also used in the synthesis of polymers for their mechanical and thermal properties, as well as in sensors and semiconductors for specific chemical and electronic applications.

What precautions should be taken when handling phenyl trifluoromethyl sulfone (CAS: 426-58-4)?

When handling phenyl trifluoromethyl sulfone (CAS: 426-58-4), it is essential to wear appropriate personal protective equipment (PPE) such as safety goggles, gloves, and lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be handled carefully using appropriate absorbent materials, and the area should be thoroughly cleaned. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and follow all safety guidelines.