98-57-7

Basic information

• Product Name: 4-Methylsulfuryl chlorobenzene
• Synonyms: 1-chloro-4-(methylsulfonyl)-benzen;1-chloro-4-(methylsulfonyl)benzene;4-Methylsulfonylchlorobenzene;methyl4-chlorophenylsulfone;methylp-chlorophenylsulfone;sulfone,p-chlorophenylmethyl;TIMTEC-BB SBB006326;P-CHLOROPHENYL METHYL SULFONE
• CAS NO: 98-57-7
• Molecular Formula: C₇H₇ClO₂S
• Molecular Weight: 190.65
• EINECS: 202-682-7
• Product Categories: Sulfur Compounds (for Synthesis);Synthetic Organic Chemistry;Organic Building Blocks;Sulfones;Sulfur Compounds;Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfur Compounds
• Mol File: 98-57-7.mol
• Article Data: 178

Chemical Properties

• Melting Point: 95-98 °C(lit.)
• Boiling Point: 60 °C / 30mmHg
• Flash Point: 153.5 °C
• Appearance: Off-white/Crystalline Powder
• Density: 1.3264 (estimate)
• Vapor Pressure: 5.86E-10mmHg at 25°C
• Refractive Index: 1.611
• Storage Temp.: 2-8°C
• BRN: 638281
• CAS DataBase Reference: 4-Methylsulfuryl chlorobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methylsulfuryl chlorobenzene(98-57-7)
• EPA Substance Registry System: 4-Methylsulfuryl chlorobenzene(98-57-7)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-38
• Safety Statements: 26-28-36/37/39-24/25
• WGK Germany: 3
• RTECS: WR5730000
• TSCA: Yes
• Hazardous Substances Data: 98-57-7(Hazardous Substances Data)

Usage

Chemical Properties

off-white crystalline powder

Uses

4-Chlorophenyl methyl sulfone may be used in the preparation of 4-(methylsulfonyl)aniline by reacting with ammonia. It may also be used as a standard during the quantification of 4-chlorophenyl methyl sulphide by HPLC in rat liver microsomes.

General Description

4-Chlorophenyl methyl sulfone (CPMSO2) is a sulfone analog of 4-chlorophenyl methyl sulfide. It is used as an intermediate for preparing sulfur-containing xenobiotics.

InChI:InChI=1/C14H12Cl2O2S/c15-13-5-1-11(2-6-13)9-19(17,18)10-12-3-7-14(16)8-4-12/h1-8H,9-10H2

Upstream product

• 14752-66-0 sodium p-chlorobenzenesulphinate 
• 79-11-8 chloroacetic acid 
• 132102-76-2 diphenylmethyl <(p-chlorophenyl)sulfonyl>methyl sulfoxide 
• 77-78-1 dimethyl sulfate 
• 108-90-7 chlorobenzene 
• 7143-01-3 Methanesulfonic anhydride 
• 106-39-8 bromochlorobenzene 
• 67-68-5 dimethyl sulfoxide 
• 637-87-6 1-Chloro-4-iodobenzene 
• 123-09-1 4-chlorophenyl methyl sulfide 
• 74-88-4 methyl iodide 
• 98-64-6 4-Chlorobenzenesulfonamide 
• 16851-83-5 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole 
• 616-42-2 dimethylsulfite 

Downstream Products

• 109943-26-2 1-(4-methanesulfonyl-phenylsulfanyl)-4-methoxy-benzene 
• 109943-11-5 1-(4-methanesulfonyl-phenylsulfanyl)-3-methoxy-benzene 
• 108716-35-4 acetic acid-[3-(4-methanesulfonyl-phenylsulfanyl)-anilide] 
• 119871-25-9 N-methyl-4-(methylsulfonyl)benzenamine 
• 108715-07-7 acetic acid-[4-(4-methanesulfonyl-phenylsulfanyl)-anilide] 
• 97-07-4 1-chloro-4-methanesulfonyl-2-nitrobenzene 
• 14763-60-1 4-methanesulfonyl-phenol 
• 90084-62-1 2-chloro-5-methanesulfonyl-benzenesulfonyl chloride 
• 5470-49-5 4-methanesulfonylphenylamine 
• 500900-67-4 bis-(4-methanesulfonyl-phenyl)-sulfide 
• 521097-86-9 CH₃SO₂C₆H₄ZnCl 
• 3112-85-4 methylphenylsulfonate 
• 134368-62-0 4,4'-bis-methanesulfonyl-biphenyl 
• 313553-46-7 4'-(methylsulfonyl)-[1,1'-biphenyl]-4-carboxylic acid methyl ester 

Relevant articles and documents

Crystal and molecular structure of methyl-(4-chlorophenyl)sulfone

Sulfones are known to be biologically active compounds. X-ray diffraction is used to determine the crystal and molecular structure of methyl-(4-chlorophenyl)sulfone. The closest molecules are in pairs oriented to each other by their chlorine atoms. The cr

Primary Sulfonamide Functionalization via Sulfonyl Pyrroles: Seeing the N?Ts Bond in a Different Light

Despite common occurrence in molecules of value, methods for transforming sulfonamides are distinctly lacking. Here we introduce easy-to-access sulfonyl pyrroles as synthetic linchpins for sulfonamide functionalization. The versatility of the sulfonyl pyrrole unit is shown by generating a variety of products through chemical, electrochemical and photochemical pathways. Preliminary results on the direct functionalization of primary sulfonamides are also provided, which may lead to new modes of activation.

Polyoxometalate-Based Organic-Inorganic Hybrids as Heterogeneous Catalysts for Cycloaddition of CO2with Epoxides and Oxidative Desulfurization Reactions

Self-assembly of polyoxometalates, transition metal salts, and 2,6-bis(2′-pyridyl)-4-hydroxypyridine (LOH) obtained four organic-inorganic hybrids [Co2.5(LOH)(LO)2(H2O)2(PW12O39)]·3CH3CN·2OH (1), [Zn1.5(LOH)3]·(PMo12O40)·CH3OH·2H2O (2), [Cd1.5(LOH)3]·(PW12O40)·2CH3OH·1.5H2O (3), and [Mn(LOH)2]·(PW12O40)·2CH3CN·H3O (4). Hybrid 1 exhibits an extended chain, which could be further connected into a 3D supramolecular architecture by H-bonds. Hybrids 2-4 feature monomolecular structures, which are further bridged via H-bonds to yield charming 3D supramolecular structures. Noteworthy, 1 and 2 can be employed as recyclable and highly efficient heterogeneous catalysts. The activated 1 displays a high catalytic activity for the cycloaddition reaction of CO2 and epoxides. Hybrid 2 exhibits an excellent catalytic performance for the oxidative desulfurization reaction.