Methyl chlorosulphate

Base Information

• Chemical Name: Methyl chlorosulphate
• CAS No.: 812-01-1
• Molecular Formula: CH3ClO3S
• Molecular Weight: 130.552
• European Community (EC) Number: 212-380-7
• UNII: RT4YXU2TZ7
• DSSTox Substance ID: DTXSID10230937
• Nikkaji Number: J193.191A
• Wikidata: Q9189980
• Mol file: 812-01-1.mol

Synonyms:812-01-1;Methyl chlorosulfonate;Methyl chlorosulphate;chlorosulfonyloxymethane;Methylchlorosulfonate;Chlorosulfuric acid methyl ester;methyl chlorosulfate;Chlorosulfuric acid, methyl ester;methyl chloranesulfonate;RT4YXU2TZ7;EINECS 212-380-7;CH3ClO3S;UNII-RT4YXU2TZ7;2,4-LUPETIDINEHCL;C-H3-Cl-O3-S;SCHEMBL114312;DTXSID10230937;Chlorosulphuric acid, methyl ester;MFCD09751158;AKOS006326477;BS-42530;methyl chlorosulphate;Methyl chlorosulphonate;FT-0660561;A24528;EN300-171945;I11450;Q9189980

Chemical Property of Methyl chlorosulphate

Chemical Property:

• Vapor Pressure: 10.9mmHg at 25°C
• Melting Point: -70°C
• Refractive Index: 1.439
• Boiling Point: 132.3 °C at 760 mmHg
• Flash Point: 33.8 °C
• PSA: 51.75000
• Density: 1.557 g/cm³
• LogP: 1.19720
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.9491428
• Heavy Atom Count: 6
• Complexity: 107

Purity/Quality:

99%, ^*data from raw suppliers

ChlorosulfuricAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COS(=O)(=O)Cl

Technology Process of Methyl chlorosulphate

There total 17 articles about Methyl chlorosulphate 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: 50.0%

methanol (67-56-1) → methyl chlorosulfate (812-01-1)

Guidance literature:

With sulfuryl dichloride; at 0 - 18 ℃; for 20h; Inert atmosphere;

DOI:10.1002/chem.202100527

Reference yield:

dimethylsulfite (616-42-2) + chlorine (7782-50-5) → methylene chloride (74-87-3) + methyl chlorosulfate (812-01-1) + dimethyl sulfate (77-78-1)

Guidance literature:

DOI:10.1002/1098-2736(200012)37:10<1154::AID-TEA7>3.0.CO;2-6

Reference yield:

methyl bisulfate (75-93-4) + trichloromethyl chloroformate (503-38-8) → phosgene (75-44-5) + methyl chlorosulfate (812-01-1)

Guidance literature:

upstream raw materials:

methanol

methyl hypochlorite

dimethylsulfite

methyl bisulfate

Downstream raw materials:

dimethyl sulfate

methylene chloride

methylamine

methyl p-chlorobenzenesulphonate

Refernces

• 1、 Silva, Saúl,Maycock, Christopher D.. "Efficient α-chlorination of carbonyl containing compounds under basic conditions using methyl chlorosulfate". supporting information. p. 1233 - 1238. Retrieved 2018/02/27.
• 2、 Wang, Lisheng,You, Yejun,Wang, Songqing,Liu, Xu,Liu, Buming,Wang, Jinni,Lin, Xiao,Chen, Mingsheng,Liang, Gang,Yang, Hua. "Synthesis, characterization and in vitro anti-tumor activities of matrine derivatives". supporting information; experimental part. p. 4100 - 4102. Retrieved 2012/07/14.