4-(Methylsulfonyl)benzenesulfonyl chloride

Base Information

• Chemical Name: 4-(Methylsulfonyl)benzenesulfonyl chloride
• CAS No.: 82964-91-8
• Molecular Formula: C7H7ClO4S2
• Molecular Weight: 254.715
• Hs Code.: 29049090
• European Community (EC) Number: 628-098-6
• DSSTox Substance ID: DTXSID80370617
• Wikidata: Q82157739
• Mol file: 82964-91-8.mol

Synonyms:82964-91-8;4-(Methylsulfonyl)benzenesulfonyl chloride;4-methylsulfonylbenzenesulfonyl Chloride;4-(Methylsulfonyl)benzene-1-sulfonyl chloride;4-(methylsulphonyl)benzenesulphonyl chloride;4-methanesulfonylbenzene-1-sulfonyl chloride;4-Methanesulfonyl-benzenesulfonyl chloride;4-(Methylsulfonyl)benzene-1-sulfonylchloride;XYLAZINEHYDROCHLORIDE;SCHEMBL230747;DTXSID80370617;TYJOQICPGZGYDT-UHFFFAOYSA-N;MFCD00216486;AKOS000131947;AT12040;4-(Methylsulfonyl)phenylsulfonyl chloride;4-methylsulfonylbenzene-sulfonyl chloride;4-methanesulfonyl benzenesulfonyl chloride;PS-10871;4-(methylsulfonyl)-benzenesulfonyl chloride;4-(methyl-sulphonyl)benzenesulphonyl chloride;CS-0103672;FT-0628863;EN300-27864;4-(Methanesulfonyl)benzene-1-sulfonyl chloride;4-(methylsulfonyl)-benzene-1-sulfonyl chloride;4-(Methylsulfonyl)benzenesulfonyl chloride, 97%;A840479;J-200072;Z235348117

Chemical Property of 4-(Methylsulfonyl)benzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: yellow to salmon-pink crystalline powder
• Vapor Pressure: 6.26E-07mmHg at 25°C
• Melting Point: 165-169 °C
• Refractive Index: 1.554
• Boiling Point: 421.7 °C at 760 mmHg
• Flash Point: 208.8 °C
• PSA: 85.04000
• Density: 1.517 g/cm³
• LogP: 3.17920
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 253.9474287
• Heavy Atom Count: 14
• Complexity: 378

Purity/Quality:

99% ^*data from raw suppliers

4-(Methylsulfonyl)benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 22-26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
• Uses: 4-(Methylsulfonyl)benzenesulfonyl chloride may be used in the preparation of 5′-deoxy-5′-[4-(methylsulfonyl)benzenesulfonamido]thymidine.

Technology Process of 4-(Methylsulfonyl)benzenesulfonyl chloride

There total 7 articles about 4-(Methylsulfonyl)benzenesulfonyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

4-(methylsulfanyl)benzenesulfonyl chloride (1129-25-5) → 4-methylsulfinylbenzenesulfonyl chloride (82964-91-8)

Guidance literature:

With dihydrogen peroxide; In acetic anhydride; acetic acid;

Reference yield: 80.0%

→ 4-methylsulfinylbenzenesulfonyl chloride (82964-91-8)

Guidance literature:

Reference yield: 74.0%

p-methylsulfonylphenyl benzyl sulfide → 4-methylsulfinylbenzenesulfonyl chloride (82964-91-8)

Guidance literature:

With water; chlorine; In acetic acid; for 0.75h;

DOI:10.1139/v96-181

upstream raw materials:

4-(methylsulfanyl)benzenesulfonyl chloride

4-methanesulfonylphenylamine

N-(4-methanesulfonylphenyl)acetamide

sodium 4-acetamidobenzenesulfinate

Downstream raw materials:

4-(methylsulfonyl)-benzenesulfinic acid

4-methanesulfonyl-benzenesulfonic acid

6-(4-Methanesulfonyl-benzenesulfonylamino)-2-(3-pyridin-3-yl-propyl)-hexanoic acid ethyl ester

4-Methanesulfonyl-benzenesulfonic acid 2,4,6-tribromo-phenyl ester