4-Methylbenzenesulfonyl fluoride

Basic Information

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CAS Number

455-16-3

Molecular Formula

C7H7FO2S

Molecular Weight

174.2 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

41-42 °C

Boiling Point

112 °C/16 mmHg

Water Solubility

Hydrolyzes in water.

Refractive Index

1.502

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)F

InChI

InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3

InChIKey

IZZYABADQVQHLC-UHFFFAOYSA-N

LogP

1.65322

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

209

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

p-Toluenesulfonyl fluoride, 98%
AKOS015840472
p-Methylbenzenesulfonyl fluoride
Z1255372425
4-11-00-00375 (Beilstein Handbook Reference)
NS00031544
NSC 2749
NSC2749
IZZYABADQVQHLC-UHFFFAOYSA-
J-800213
p-toluenesulfonylfluoride
BRN 2208423
Toluene-p-sulphonyl fluoride
SCHEMBL81712
455-16-3
EN300-153170
4-Methylbenzenesulfonyl fluoride
InChI=1/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
MFCD00007421
phenylmethane sulfonyl fluoride
alpha-tolylsulfonyl fluoride
p-TOLUENESULFONYL FLUORIDE
EINECS 207-238-6
FT-0619533
Benzenesulfonyl fluoride, 4-methyl-
CS-0159325
Toluene-4-sulfonyl fluoride
p-Methylphenylsulfonyl fluoride
4-Toluenesulfonyl fluoride
(4-METHYLPHENYL)SULFONYL FLUORIDE
para-toluenesulfonyl fluoride

MDL Number

MFCD00007421

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 4-Methylbenzenesulfonyl fluoride (CAS: 455-16-3)?

4-Methylbenzenesulfonyl fluoride (CAS: 455-16-3) is a white crystalline solid with a molecular weight of approximately 195.15 g/mol. It is slightly soluble in water but more soluble in organic solvents such as ethanol and acetone. This compound is highly reactive and prone to hydrolysis, decomposing to form a mixture of 4-methylbenzenesulfinic acid and 4-methylbenzene sulfonic acid under basic conditions.

How is 4-Methylbenzenesulfonyl fluoride (CAS: 455-16-3) typically synthesized?

4-Methylbenzenesulfonyl fluoride (CAS: 455-16-3) is typically synthesized by the reaction of 4-methylbenzenesulfonyl chloride with hydrogen fluoride. This process is carried out in a solvent such as methylene chloride, with a yield of around 85%. The reaction is selective and proceeds without the need for a catalyst.

What industries use 4-Methylbenzenesulfonyl fluoride (CAS: 455-16-3)?

4-Methylbenzenesulfonyl fluoride (CAS: 455-16-3) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also utilized in the polymer industry for the preparation of functionalized polymers, and in the electronics industry for the fabrication of semiconductor materials and sensors due to its reactivity and stability.

What precautions should be taken when handling 4-Methylbenzenesulfonyl fluoride (CAS: 455-16-3)?

When handling 4-Methylbenzenesulfonyl fluoride (CAS: 455-16-3), it is crucial to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or within a fume hood to minimize inhalation risk. Spills should be cleaned up carefully following standard laboratory procedures, and the material safety data sheet (MSDS) or safety data sheet (SDS) should be consulted for detailed spill handling instructions.