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

Description

4-Methylsulfuryl chlorobenzene, also known as 4-chlorophenyl methyl sulfone, is an organic compound with the chemical formula C7H7ClO2S. It is a derivative of chlorobenzene, featuring a methylsulfonyl group attached to the benzene ring. 4-Methylsulfuryl chlorobenzene is known for its unique chemical properties and potential applications in various industries.

Uses

Used in Chemical Synthesis:
4-Methylsulfuryl chlorobenzene is used as a key intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. Its reactivity and functional groups make it a versatile building block for creating a wide range of products.
Used in Analytical Chemistry:
In the field of analytical chemistry, 4-methylsulfuryl chlorobenzene serves as a standard reference material for the quantification of 4-chlorophenyl methyl sulfide by high-performance liquid chromatography (HPLC) in rat liver microsomes. This application is crucial for accurately determining the concentration of target compounds in biological samples, which can be used to assess their toxicity and metabolic pathways.
Used in the Preparation of 4-(Methylsulfonyl)aniline:
4-Methylsulfuryl chlorobenzene is utilized in the preparation of 4-(methylsulfonyl)aniline by reacting with ammonia. This reaction is an important step in the synthesis of various aniline derivatives, which have applications in the production of dyes, pigments, and pharmaceuticals.

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

• 123-09-1 4-chlorophenyl methyl sulfide 
• 124-63-0 methanesulfonyl chloride 
• 108-90-7 chlorobenzene 
• 14752-66-0 sodium p-chlorobenzenesulphinate 
• 79-11-8 chloroacetic acid 
• 74-88-4 methyl iodide 
• 7143-01-3 Methanesulfonic anhydride 
• 77-78-1 dimethyl sulfate 
• 637-87-6 1-Chloro-4-iodobenzene 
• 20277-69-4 sodium methansulfinate 
• 106-39-8 bromochlorobenzene 
• 67-68-5 dimethyl sulfoxide 
• 7722-84-1 dihydrogen peroxide 
• 110-05-4 di-tert-butyl peroxide 

Downstream Products

• 33599-22-3 (4-methanesulfonylphenyl)-N,N-dimethyl-amine 
• 19760-89-5 p-Propoxy-phenylmethylsulfon 
• 19760-88-4 4-Ethoxyphenyl methyl sulphone 
• 19760-87-3 p-Amyloxy-phenylmethylsulfon 
• 83642-20-0 4-(4-(methylsulfonyl)phenoxy)-1,2-dichlorobenzene 
• 313553-46-7 4'-(methylsulfonyl)-[1,1'-biphenyl]-4-carboxylic acid methyl ester 
• 792-74-5 4,4'-biphenyldicarboxylic acid dimethyl ester 
• 6462-34-6 4-(methylsulfonyl)-1,1′-biphenyl 
• 16222-83-6 2-(2-bromo-phenylsulfanyl)-5-methanesulfonyl-aniline 
• 23503-68-6 2-(methylsulfonyl)-10H-phenothiazine 
• 68502-20-5 N¹-Ethyl-4-methanesulfonyl-benzene-1,2-diamine 
• 30388-44-4 methyl 4-methyl-amino-3-nitrophenyl sulfone 
• 100716-73-2 4-chlorophenyl 2-phenylethyl sulphone 
• 877-66-7 4-(methylsulfonyl)phenylhydrazine 

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

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.

Assembly of polyoxometalate-thiacalix[4]arene-based inorganic-organic hybrids as efficient catalytic oxidation desulfurization catalysts

Self-assembly of polyoxometalates, Ni(ii)/Ag(i) cations and tetra-[5-(mercapto)-1-methyltetrazole]-thiacalix[4]arene (L) yielded three inorganic-organic hybrids, namely, [Ni3L2(CH3OH)6(H2O)4][PMo12O40]2·3CH3OH·2H2O (1), [Ni3L2(CH3OH)6(H2O)4][PW12O40]2·3CH3OH·2H2O (2) and [Ag3L(PMo12O40)] (3). In hybrids (1) and (2), Ni(ii) cations are linked by L ligands to produce layered frameworks, and H bonds among the [PMo12O40]3?/[PW12O40]3?anions and L ligands lengthen the structures to form 3D supramolecular architectures. Hybrid (3) exhibits a 3D architecture, of which Ag(i) cations not only coordinated with the N and O atoms of L ligands and [PMo12O40]3?anions simultaneously, but also connected each other by Ag-Ag interactions. It is worth mentioning that1and3as recyclable catalysts show excellent heterogeneous catalytic activity in oxidation desulfurization reactions.