2-(4-chlorophenyl)ethanesulfonyl Chloride

Base Information

• Chemical Name: 2-(4-chlorophenyl)ethanesulfonyl Chloride
• CAS No.: 76653-13-9
• Molecular Formula: C₈H₈Cl₂O₂S
• Molecular Weight: 239.122
• European Community (EC) Number: 822-934-5
• DSSTox Substance ID: DTXSID00374031
• Wikidata: Q82162483
• Mol file: 76653-13-9.mol

Synonyms:2-(4-chlorophenyl)ethanesulfonyl Chloride;76653-13-9;2-(4-Chloro-phenyl)-ethanesulfonyl chloride;2-(4-CHLOROPHENYL)ETHANE-1-SULFONYL CHLORIDE;SCHEMBL105528;DTXSID00374031;RDLOYHZHKDCZHO-UHFFFAOYSA-N;MFCD04117453;AKOS006223421;AB20714;2-(4-chlorophenyl)ethanesulfonylChloride;2-(4-chlorophenyl)-ethanesulfonyl chloride;2-(4-chlorophenyl)-ethanesulphonyl chloride;CS-0215525;EN300-256923

Chemical Property of 2-(4-chlorophenyl)ethanesulfonyl Chloride

Chemical Property:

• Boiling Point: 327.7±25.0 °C(Predicted)
• Density: 1.435±0.06 g/cm3(Predicted)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 237.9622061
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Chlorophenyl)ethanesulfonyl chloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCS(=O)(=O)Cl)Cl

Technology Process of 2-(4-chlorophenyl)ethanesulfonyl Chloride

There total 3 articles about 2-(4-chlorophenyl)ethanesulfonyl 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: 82.0%

sodium 4-chloro-β-phenethylsulfonate (76653-12-8) → 4-chloro-β-phenethylsulfonyl chloride (76653-13-9)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In benzene; for 4h; Heating;

DOI:10.1021/ja00396a039

Reference yield: 55.0%

1-(2-bromoethyl)-4-chlorobenzene (6529-53-9) → 4-chloro-β-phenethylsulfonyl chloride (76653-13-9)

Guidance literature:

1-(2-bromoethyl)-4-chlorobenzene; With potassium thioacetate; In acetonitrile; at 0 - 20 ℃; for 1h;

With hydrogenchloride; sodium chlorite; In water; acetonitrile; for 0.666667h;

DOI:10.1016/j.bmc.2017.05.040

Reference yield:

C10H11ClOS → 4-chloro-β-phenethylsulfonyl chloride (76653-13-9)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 0 ℃;

DOI:10.1002/chem.201602138

upstream raw materials:

sodium 4-chloro-β-phenethylsulfonate

1-(2-bromoethyl)-4-chlorobenzene

Downstream raw materials:

4-chloro-β-phenethylsulfonyl azide

2-[2-(4-Chlorophenyl)ethylsulfonylamino]benzenesulfonamide

2-[2-(4-chloro-phenyl)-ethanesulfonylamino]-5-methoxy-benzenesulfonamide

2-[2-(4-chloro-phenyl)-ethanesulfonylamino]-5-methylbenzenesulfonamide