3-Chlorobenzenesulfonyl chloride

Base Information

• Chemical Name: 3-Chlorobenzenesulfonyl chloride
• CAS No.: 2888-06-4
• Molecular Formula: C6H4Cl2O2S
• Molecular Weight: 211.069
• Hs Code.: 29049090
• European Community (EC) Number: 220-753-0
• DSSTox Substance ID: DTXSID10183075
• Nikkaji Number: J306.812I
• Wikidata: Q72517146
• Mol file: 2888-06-4.mol

Synonyms:3-Chlorobenzenesulfonyl chloride;2888-06-4;3-Chlorobenzene-1-Sulfonyl Chloride;3-Chlorobenzenesulphonyl chloride;3-chlorobenzenesulfonylchloride;Benzenesulfonyl chloride, 3-chloro-;m-chlorobenzenesulfonyl chloride;3-chloro-benzenesulfonyl chloride;3-chlorophenylsulfonyl chloride;MFCD00051697;m-Chlorbenzolsulfochlorid;SCHEMBL16000;3-chlorobenzenesulfonylchoride;3-chlorobenzenesulphonylchloride;3-chloro-benzensulfonyl chloride;3-chlorobenzen sulfonyl chloride;3-chlorobenzene sulfonyl chloride;3-chlorobenzene-sulfonyl chloride;3-chloro phenyl sulfonyl chloride;DTXSID10183075;m-chlorobenzene sulphonyl chloride;3-chlorobenzene sulphonyl chloride;3-Chloro-benzenesulphonyl chloride;3-chlorobenzene-1-sulfonylchloride;EINECS 220-753-0;BBL013790;STK500488;3-chloro benzene-1-sulfonyl chloride;AKOS000200660;3-Chlorobenzenesulfonyl chloride, 97%;AM62498;CS-W015070;SB66913;M-CHLOROBENZENESULPHONYL CHLORIDE;FT-0615456;EN300-17040;J-512311;Z56862786;F2167-0083

Chemical Property of 3-Chlorobenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Vapor Pressure: 0.00273mmHg at 25°C
• Melting Point: 21 °C
• Refractive Index: n20/D 1.568(lit.)
• Boiling Point: 295.2 °C at 760 mmHg
• Flash Point: 132.3 °C
• PSA: 42.52000
• Density: 1.529 g/cm³
• LogP: 3.34830
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.9309059
• Heavy Atom Count: 11
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

3-Chlorobenzenesulfonyl Chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)S(=O)(=O)Cl

Technology Process of 3-Chlorobenzenesulfonyl chloride

There total 9 articles about 3-Chlorobenzenesulfonyl 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: 94.0%

3-chlorophenylthiol (2037-31-2) → 3-chlorophenylsulfonyl chloride (2888-06-4)

Guidance literature:

With 1,3-dichloro-5,5-dimethylhydantoin; acetic acid; In dichloromethane; water; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.11.047

Reference yield: 82.1%

3-chloro-aniline (108-42-9) → 3-chlorophenylsulfonyl chloride (2888-06-4)

Guidance literature:

3-chloro-aniline; With hydrogenchloride; sodium nitrite; In water; at -5 - 0 ℃;

With thionyl chloride; copper(l) chloride; In water; at -5 - 0 ℃;

Reference yield: 70.0%

3-chlorobenzenediazonium tetrafluoroborate (456-39-3) → 3-chlorophenylsulfonyl chloride (2888-06-4)

Guidance literature:

With thionyl chloride; tris(bipyridine)ruthenium(II) dichloride hexahydrate; In water; acetonitrile; at 20 ℃; for 20h; Sealed tube; Irradiation;

DOI:10.1002/cssc.201601293

upstream raw materials:

3-chlorobenzenediazonium

3-amino-benzenesulfonic acid, monosodium salt

3-chloro-aniline

3-chlorophenylthiol

Downstream raw materials:

3-Chloro-benzenesulfonic acid 3-p-tolylsulfanyl-propyl ester

3-(3-chloro-benzenesulfonylamino)-benzoic acid ethyl ester

C₂₃H₂₅ClN₂O₄S

3-[[(3-chlorophenyl)sulfonyl]amino]-2-(1-phenylethoxy)benzoic acid

Refernces

• 1、 Gómez-Palomino, Alejandro,Cornella, Josep. "Selective Late-Stage Sulfonyl Chloride Formation from Sulfonamides Enabled by Pyry-BF4". supporting information. p. 18235 - 18239. Retrieved 2019/11/13.
• 2、 Hebeisen, Paul,Haap, Wolfgang,Kuhn, Bernd,Mohr, Peter,Wessel, Hans Peter,Zutter, Ulrich,Kirchner, Stephan,Ruf, Armin,Benz, J?rg,Joseph, Catherine,Alvarez-Sánchez, Rubén,Gubler, Marcel,Schott, Brigitte,Benardeau, Agnes,Tozzo, Effie,Kitas, Eric. "Orally active aminopyridines as inhibitors of tetrameric fructose-1,6-bisphosphatase". scheme or table. p. 3237 - 3242. Retrieved 2011/07/07.