Chloromethanesulfonyl chloride

Base Information

• Chemical Name: Chloromethanesulfonyl chloride
• CAS No.: 3518-65-8
• Molecular Formula: CH2Cl2O2S
• Molecular Weight: 148.998
• Hs Code.: 2904909090
• European Community (EC) Number: 222-526-1
• UNII: 7WRW5VDZ79
• DSSTox Substance ID: DTXSID30188668
• Nikkaji Number: J41.683E
• Wikidata: Q72452952
• Mol file: 3518-65-8.mol

Synonyms:Chloromethanesulfonyl chloride;3518-65-8;Methanesulfonyl chloride, chloro-;Chloromethylsulfonyl Chloride;Chloromethanesulphonyl chloride;Chlormethansulfochlorid;(Chloromethyl)sulfonyl chloride;Chlormethansulfonylchlorid;Chlormethansulfochlorid [Czech];Chlormethansulfonylchlorid [Czech];Chlorid kyseliny chlormethansulfonove;EINECS 222-526-1;BRN 1811761;7WRW5VDZ79;chloromethylsulphonyl chloride;Chlorid kyseliny chlormethansulfonove [Czech];MFCD00014727;Chloromesyl chloride;CH2Cl2O2S;chloromethylchlorosulfone;Methanesulfonyl chloride,;chlormethylsulfonyl chloride;UNII-7WRW5VDZ79;chloromethylsulfuryl chloride;chloro-methanesulfonyl chloride;chloromethyl sulphonyl chloride;SCHEMBL124081;C-H2-Cl2-O2-S;chloranylmethanesulfonyl chloride;chloro-methane sulfonyl chloride;DTXSID30188668;BBL102399;STL556201;AKOS005254517;AT12630;FS-5461;LS-90361;FT-0623682;EN300-71999;A822631;J-019980;Chloromethanesulfonyl chloride, technical, >=90% (AT)

Chemical Property of Chloromethanesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.524mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 197.8 °C at 760 mmHg
• Flash Point: 73.4 °C
• PSA: 42.52000
• Density: 1.677 g/cm³
• LogP: 1.83210
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform, Methanol
• Water Solubility.: It is soluble in dichloromethane, pyridine, and most organic solvents. It is insoluble in water.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.9152559
• Heavy Atom Count: 6
• Complexity: 108

Purity/Quality:

97% ^*data from raw suppliers

Chloromethanesulfonyl chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(S(=O)(=O)Cl)Cl
• Uses: Chloromethanesulfonyl Chloride is a very useful intermediate for organic synthesis. It enhances citric acid production by Aspergillus niger NCIM-1696 and increases the yield of citric acid. It also functions as a useful intermediate for pharmaceutical synthesis.

Technology Process of Chloromethanesulfonyl chloride

There total 15 articles about Chloromethanesulfonyl 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: 84.0%

→ monochloromethanesulfonyl chloride (3518-65-8)

Guidance literature:

Reference yield: 73.9%

bis(benzylthio)methane (4431-79-2) → monochloromethanesulfonyl chloride (3518-65-8) + Benzyl acetate (140-11-4) + benzyl chloride (100-44-7)

Guidance literature:

With water; chlorine; acetic acid; In water; at 20 - 30 ℃; for 2h;

Reference yield: 62.0%

[1,3,5]trithiane (291-21-4) → monochloromethanesulfonyl chloride (3518-65-8)

Guidance literature:

With potassium chlorate; In hydrogenchloride; for 5h; Ambient temperature;

DOI:10.1071/C97159

upstream raw materials:

formaldehyd

chloromethanesulfenyl chloride

methane

[1,3,5]trithiane

Downstream raw materials:

chloro-methanesulfonic acid p-toluidide

chloro-methanesulfonic acid-(2-methoxy-phenyl ester)

chloro-methanesulfonic acid-(N'-phenyl-hydrazide)

chloro-methanesulfonic acid-(3,4-dichloro-anilide)

Refernces

• 1、 Zhang, Zai-Wei,Wang, Shi-Meng,Fang, Wan-Yin,Lekkala, Ravindar,Qin, Hua-Li. "Protocol for Stereoselective Construction of Highly Functionalized Dienyl Sulfonyl Fluoride Warheads". . p. 13721 - 13734. Retrieved 2020/12/15.
• 2、 Fares, Fares A.,Ridley, Damon D.,Yin, Ping. "Sulfonamide analogues of creatinine. The synthesis of 3-amino-4,5-dihydro-l,2,4-thiadiazole 1,1-dioxides from base-induced cyclization reactions". . p. 1027 - 1029. Retrieved 2007/10/03.