Methyl 4-chlorobenzenesulfonate

Base Information

• Chemical Name: Methyl 4-chlorobenzenesulfonate
• CAS No.: 15481-45-5
• Molecular Formula: C7H7 Cl O3 S
• Molecular Weight: 206.65
• DSSTox Substance ID: DTXSID70165731
• Nikkaji Number: J259.300I
• Wikidata: Q72489138
• Mol file: 15481-45-5.mol

Synonyms:methyl 4-chlorobenzenesulfonate;15481-45-5;4-Chlorobenzene-sulfonmethyl-ester;Methyl p-chlorobenzenesulfonate;Benzenesulfonic acid, p-chloro-, methyl ester;methyl 4-chlorobenzene-1-sulfonate;Methyl4-chlorobenzenesulfonate;SCHEMBL197599;DTXSID70165731;AMY24807;MFCD16620612;AKOS015890612;4-Chlorobenzenesulfonic acid methyl ester;AS-78285;FT-0655775;D93386;EN300-7863813;1-(2,5-DIMETHOXY-4-METHYLTHIOPHENYL)-2-AMINOPROPANEHYDROCHLORIDE

Chemical Property of Methyl 4-chlorobenzenesulfonate

Chemical Property:

• Vapor Pressure: 0.00227mmHg at 25°C
• Boiling Point: 298.3°C at 760 mmHg
• Flash Point: 134.2°C
• PSA: 51.75000
• Density: 1.382g/cm³
• LogP: 2.75590
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.9804429
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-chlorobenzenesulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COS(=O)(=O)C1=CC=C(C=C1)Cl

Technology Process of Methyl 4-chlorobenzenesulfonate

There total 13 articles about Methyl 4-chlorobenzenesulfonate 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: 41.0%

methanol (67-56-1) + p-chlorobenzenediazonium tetrafluoroborate (673-41-6) → methyl p-chlorobenzenesulphonate (15481-45-5)

Guidance literature:

With 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; trifluoroacetic acid; copper(ll) bromide; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.8b00447

Reference yield:

Methyl methanesulfonate (66-27-3) + chlorobenzene (108-90-7) → methanesulfonic acid (75-75-2,98527-29-8) + methyl bisulfate (75-93-4) + methyl p-chlorobenzenesulphonate (15481-45-5) + 4-chlorophenyl methyl sulfone (98-57-7)

Guidance literature:

With sulfur trioxide; Product distribution; other time;

Reference yield:

methanol (67-56-1) + 4-chlorobenzenesulfonyl chloride (98-60-2) → 4-chloro-benzenesulfonic acid (98-66-8) + methyl p-chlorobenzenesulphonate (15481-45-5)

Guidance literature:

With water; at 25 ℃; Reagent/catalyst; Kinetics;

DOI:10.1002/poc.1522

upstream raw materials:

methyl chlorosulfate

chlorobenzene

methanol

perchloric acid methyl ester

Downstream raw materials:

4-Chlorophenyl phenyl sulfone

4,4'-dichlorodiphenyl sulphone

Dimethyl ether

4-chloro-benzenesulfonic acid

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