19040-62-1

Basic information

• Product Name: 2,5-DIMETHYLBENZENESULFONYL CHLORIDE
• Synonyms: 2,5-dimethyl-benzenesulfonylchlorid;xylenesulfonylchloride;ART-CHEM-BB B019389;BENZENESULFONYL CHLORIDE, 2,5-DIMETHYL-;BUTTPARK 99\57-67;AKOS B019389;2,5-DIMETHYLBENZENESULFONYL CHLORIDE;2,5-DIMETHYLBENZENESULPHONYL CHLORIDE
• CAS NO: 19040-62-1
• Molecular Formula: C₈H₉ClO₂S
• Molecular Weight: 204.67
• Mol File: 19040-62-1.mol
• Article Data: 6

Chemical Properties

• Melting Point: 156-158℃
• Boiling Point: 77 °C
• Flash Point: 21°C
• Appearance: Pale yellow/Liquid/Solid
• Density: 1.290
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: 2,5-DIMETHYLBENZENESULFONYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYLBENZENESULFONYL CHLORIDE(19040-62-1)
• EPA Substance Registry System: 2,5-DIMETHYLBENZENESULFONYL CHLORIDE(19040-62-1)

Safety Data

• Hazard Codes: C,Xi
• Statements: 10-34
• Safety Statements: 16-26-36/37/39-27
• RIDADR: 2920
• RTECS: DB8927600
• TSCA: Yes
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 19040-62-1(Hazardous Substances Data)

Usage

General Description

2,5-Dimethylbenzenesulfonyl chloride is a chemical compound with the molecular formula C8H9ClO2S. It is a sulfonating agent commonly used in organic and pharmaceutical synthesis. 2,5-DIMETHYLBENZENESULFONYL CHLORIDE is a derivative of benzene, with two methyl groups and a sulfonyl chloride functional group attached to the ring. It is a colorless to pale yellow liquid with a strong, pungent odor. 2,5-Dimethylbenzenesulfonyl chloride is used as a reagent in the production of pharmaceuticals, dyes, and polymers, and it is also used as an intermediate in the synthesis of other organic compounds. It is important to handle this chemical with caution, as it is corrosive and can cause severe skin and eye irritation upon contact.

Upstream product

• 106-42-3 para-xylene 
• 609-54-1 2,5-dimethylbenzenesulfonic acid 

Downstream Products

• 1009077-34-2 isopropyl N-(2,5-xylylsulfonyl)propionimidate 
• 1009077-35-3 isopropyl N-(2,5-xylylsulfonyl)butyrimidate 
• 1009077-70-6 methyl N-(2,5-xylylsulfonyl)propionimidate 
• 92291-81-1 <2,5-Dichlorphenyl>-<2,5-dimethylphenyl>-sulfid 
• 93-77-6 (4-chloro-2,5-dimethyl-phenylsulfanyl)-acetic acid 
• 15310-87-9 (2,5-dimethyl-phenylsulfanyl)-acetic acid 
• 3808-86-4 1,2-bis(2,5-dimethylphenyl)disulfane 

Relevant articles and documents

Synthesis, biological evaluation, and enzyme assay of some 5-N-substituted-2-N-(arylsulphonyl)-L(+)glutamines as potential anticancer agents

Thirty 5-N-substituted-2-N-(arylsulphonyl)-L(+)glutamines were synthesized and evaluated biologically for their anticancer activities. The best active compound of this series showed 92.92% inhibition of tumor weight against Ehrlich Ascites Carcinoma cells. The most active compound was proved to be a competitive inhibitor of glutaminase in the enzyme assay. The best active compound may be a starting point to generate 'lead' for further exploration.

Possible anticancer agents: synthesis, pharmacological activity, and molecular modeling studies on some 5-N -Substituted-2-N-(substituted benzenesulphonyl)-L(+)Glutamines

On the basis of our earlier work, fortyone 5-N-substituted-2N-(substituted benzenesulphonyl)-L(+)glutamines were synthesized and screened for cancer cell inhibitory activity. The best active compounds showed 91% tumor cell inhibition, whereas other three compounds showed more than 80% inhibition. Two-dimensional quantitative structure–activity relationship modeling and three-dimensional quantitative structure–activity relationship k-nearest neighbor molecular field analysis studies were done to get an insight into structural requirements toward further improved anticancer activity. Considering the fact that these compounds are competitive inhibitors of glutaminase, a molecular docking study followed by molecular dynamic simulation analysis were performed. The work may help to develop new anticancer agents.

A new, mild preparation of sulfonyl chlorides

A new method was developed for the preparation of sulfonyl chlorides from sulfonic acids under neutral conditions using 2,4,6-trichloro-1,3,5-triazine as chlorinating agent.