2-(Methylsulfonyl)benzenesulfonyl chloride

Base Information

• Chemical Name: 2-(Methylsulfonyl)benzenesulfonyl chloride
• CAS No.: 89265-35-0
• Molecular Formula: C7H7ClO4S2
• Molecular Weight: 254.715
• Hs Code.: 29049095
• European Community (EC) Number: 638-950-9
• DSSTox Substance ID: DTXSID00370614
• Wikidata: Q72490747
• Mol file: 89265-35-0.mol

Synonyms:89265-35-0;2-(methylsulfonyl)benzenesulfonyl chloride;2-methylsulfonylbenzenesulfonyl Chloride;2-(methylsulfonyl)benzene-1-sulfonyl chloride;2-methylsulphonylbenzenesulphonyl chloride;2-(methylsulphonyl)benzenesulphonyl chloride;2-methanesulfonylbenzene-1-sulfonyl chloride;MFCD00216493;2-(Methylsulfonyl)phenylsulfonyl chloride;2-(Chlorosulphonyl)phenyl methyl sulphone;Benzenesulfonyl chloride, 2-(methylsulfonyl)-;SCHEMBL489571;DTXSID00370614;XPJTUCSESGEMOI-UHFFFAOYSA-N;o-chlorosulfonylphenyl methyl sulfone;CK2487;2-methylsulfonylbenzenesulfonylchloride;AKOS000129577;2-methylsulfonyl-phenylsulfonyl chloride;2-methylsulfonylbenzenesulphonyl chloride;2-methylsulfonyl benzenesulfonyl chloride;2-methanesulfonyl-benzenesulfonyl chloride;2-methanesulfonylbenzene sulfonyl chloride;2-methanesulphonylbenzenesulphonyl chloride;2-methylsulfonyl benzene sulfonyl chloride;AS-45911;2-(methylsulfonyl)benzene-1-sulfonylchloride;FT-0654819;EN300-28573;2-(METHYLSULFONYL)BENZENESULFONYLCHLORIDE;2-methylsulfonylbenzenesulfonyl chloride, AldrichCPR;J-506477

Chemical Property of 2-(Methylsulfonyl)benzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: off-white to yellowish-brown crystalline powder
• Vapor Pressure: 1.35E-07mmHg at 25°C
• Melting Point: 133-138 °C
• Refractive Index: 1.554
• Boiling Point: 442 °C at 760 mmHg
• Flash Point: 221.1 °C
• PSA: 85.04000
• Density: 1.517 g/cm³
• LogP: 3.17920
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 253.9474287
• Heavy Atom Count: 14
• Complexity: 386

Purity/Quality:

99% ^*data from raw suppliers

2-(Methylsulfonyl)benzenesulfonyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 37/39-26-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)Cl

Technology Process of 2-(Methylsulfonyl)benzenesulfonyl chloride

There total 9 articles about 2-(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: 71.0%

benzyl o-methylsulfonylphenyl sulfide (282719-68-0) → 2-Methanesulfonyl-benzenesulfonyl chloride (89265-35-0)

Guidance literature:

With chlorine; In water; acetic acid;

DOI:10.1071/ch99139

Reference yield: 71.0%

2-(methylsulfonyl)aniline (2987-49-7) → 2-Methanesulfonyl-benzenesulfonyl chloride (89265-35-0)

Guidance literature:

With hydrogenchloride; sulfur dioxide; acetic acid; sodium nitrite; copper(l) chloride; In water;

Reference yield:

1-butylsulfanyl-2-methylsulfanyl-benzene (99862-30-3) → 2-Methanesulfonyl-benzenesulfonyl chloride (89265-35-0)

Guidance literature:

With potassium permanganate; Erwaermen des Reaktionsprodukts mit PCl₅ und POCl₃;

DOI:10.1021/ja01599a065

upstream raw materials:

1-butylsulfanyl-2-methylsulfanyl-benzene

benzyl o-methylsulfonylphenyl sulfide

2-(methylsulfonyl)aniline

o-chlorophenyl methyl sulfone

Downstream raw materials:

methylphenylsulfonate

o-mercaptophenyl methyl sulfone

2-methylsulfonyl-N-(3-phenyl-1H-indazol-5-yl)benzenesulfonamide

N-[3-(4-Methoxyphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide

Refernces

• 1、 -. "Sulfur containing compounds". Page/Page column 26. . Retrieved 2010/11/30.
• 2、 Baerlocher, Felix Jakob,Baerlocher, Mark Otto,Langler, Richard Francis,MacQuarrie, Stephanie Lee,Marchand, Maurice Emile. "New and more potent antifungal bisulfides". . p. 1 - 5. Retrieved 2007/10/03.