4-Bromobenzylsulfonyl chloride

Basic Information

View in Editor

CAS Number

53531-69-4

Molecular Formula

C7H6BrClO2S

Molecular Weight

269.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

117 °C

Boiling Point

350.5℃ at 760 mmHg

SMILES

View in Editor

C1=CC(=CC=C1CS(=O)(=O)Cl)Br

InChI

InChI=1S/C7H6BrClO2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2

InChIKey

ZWVWFWGJZPHCHF-UHFFFAOYSA-N

LogP

2.5177000000000005

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

226

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

4-(Bromo-phenyl)-methane sulfonyl chloride
(4-Bromophenyl)methanesulfonyl chloride
FT-0640171
benzenemethanesulfonyl chloride, 4-bromo-
AKOS002674349
DTXSID20344675
J-501376
A-toluenesulfonyl chloride, 95%
4-bromobenzylsulphonyl chloride
(4-Bromophenyl)methanesulfonylchloride
EN300-93291
CS-W012393
(4-Bromophenyl)methanesulphonyl chloride
AM100916
SY046217
53531-69-4
4-Bromobenzylsulfonyl chloride, AldrichCPR
MFCD04973454
AS-7054
4-Bromobenzylsulfonyl chloride
(4-Bromo-Phenyl)-Methanesulfonyl Chloride
4-Bromo-
AB21352
A829657
(4-Bromophenyl)methanesulfonyl chloride #
SCHEMBL13196
4-BROMOBENZYLSULFONYL CHLORIDE
ZWVWFWGJZPHCHF-UHFFFAOYSA-N
PubChem2155
4-bromobenzylsulfonylchloride
KSC497S8B

MDL Number

MFCD04973454

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 4-Bromobenzylsulfonyl chloride (CAS: 53531-69-4)?

4-Bromobenzylsulfonyl chloride is a white crystalline solid with a molecular weight of approximately 273.03 g/mol. It is practically insoluble in water but soluble in organic solvents such as ethanol and acetone. This compound is highly reactive due to the presence of the sulfonyl chloride group, making it prone to nucleophilic substitution reactions.

How is 4-Bromobenzylsulfonyl chloride (CAS: 53531-69-4) typically synthesized?

4-Bromobenzylsulfonyl chloride is typically synthesized from 4-bromobenzylamine and sulfur trioxide. The reaction proceeds through the formation of an intermediate sulfinic acid, followed by the addition of chlorinating agents such as thionyl chloride to generate the sulfonyl chloride. The reaction is conducted under anhydrous conditions to prevent hydrolysis.

What industries use 4-Bromobenzylsulfonyl chloride (CAS: 53531-69-4)?

4-Bromobenzylsulfonyl chloride is used in various industries, including pharmaceuticals, where it serves as a building block for drug synthesis. It is also utilized in the production of polymers and as a reagent in sensor and semiconductor manufacturing due to its reactivity and functional groups.

What precautions should be taken when handling 4-Bromobenzylsulfonyl chloride (CAS: 53531-69-4)?

Proper handling of 4-Bromobenzylsulfonyl chloride requires personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a fume hood to minimize exposure to air and moisture. Accidental spills should be handled with caution; immediate decontamination and proper disposal according to safety data sheet (SDS) guidelines are necessary.