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

• 124-63-0 methanesulfonyl chloride 
• 108-90-7 chlorobenzene 
• 14752-66-0 sodium p-chlorobenzenesulphinate 
• 79-11-8 chloroacetic acid 
• 66-27-3 Methyl methanesulfonate 
• 558-25-8 methyl fluorosulfonate 
• 7143-01-3 Methanesulfonic anhydride 
• 637-87-6 1-Chloro-4-iodobenzene 
• 20277-69-4 sodium methansulfinate 
• 123-09-1 4-chlorophenyl methyl sulfide 
• 164021-74-3 (1S,2R)-(-)-2-[N-(3’,5’-di-tert-butylsalicylidene)amino]-1,2-diphenylethanol 
• 1679-18-1 4-Chlorophenylboronic acid 
• 616-38-6 carbonic acid dimethyl ester 
• 512-56-1 trimethyl phosphite 

Downstream Products

• 150221-20-8 1-(4-(methylsulfonyl)phenyl)piperidine 
• 63029-15-2 (4-(methylsulfonyl)phenyl)(phenyl)sulfane 
• 33599-22-3 (4-methanesulfonylphenyl)-N,N-dimethyl-amine 
• 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 
• 58940-96-8 Aethoxy-oxalyl-methyl-p-chlorphenyl-sulfon 

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

Method for synthesizing aryl alkyl sulfone compound by promoting oxidation of aryl alkyl thioether compound through visible light

The invention discloses a method for synthesizing an aryl alkyl sulfone compound by promoting oxidation of an aryl alkyl thioether compound through visible light. The method comprises the following steps of: performing one-pot reaction on an aryl alkyl thioether compound and sodium trifluoromethanesulfinate in a diethylene glycol dibutyl ether solution system under the conditions of oxygen-containing atmosphere and 385-390 nm purple light irradiation to generate the aryl alkyl sulfone compound. The method has the advantages of mild conditions, simple operation, environmental protection, easilyavailable raw materials, excellent compatibility of substrate functional groups, high reaction yield and the like.

Synthesis of a light-harvesting ruthenium porphyrin complex substituted with BODIPY units. Implications for visible light-promoted catalytic oxidations

A light-harvesting ruthenium porphyrin substituted covalently with four boron-dipyrrin (BODIPY) moieties has been synthesized and studied. The resulting complex showed an efficient decarbonylation reaction predominantly due to a photo-induced energy transfer process. Chemical oxidation of the ruthenium(ii) BODIPY-porphyrin afforded a high-energytrans-dioxoruthenium(vi) species that is one order of magnitude more reactive towards alkene oxidation than those analogues supported by conventional porphyrins. In the presence of visible light, the ruthenium(ii) BODIPY-porphyrin displayed remarkable catalytic activity toward sulfide oxidation and alkene epoxidation using iodobenzene diacetate [PhI(OAc)2] and 2,6-dichloropyridineN-oxide (Cl2pyNO) as terminal oxidants, respectively. The findings in this work highlight that porphyrin-BODIPY conjugated metal complexes are potentially useful for visible light-promoted catalytic oxidations.