(4-Chlorophenyl)methanesulfonyl chloride

Base Information

• Chemical Name: (4-Chlorophenyl)methanesulfonyl chloride
• CAS No.: 6966-45-6
• Molecular Formula: C7H6Cl2O2S
• Molecular Weight: 225.095
• Hs Code.: 2904909090
• European Community (EC) Number: 625-385-8
• NSC Number: 18788
• DSSTox Substance ID: DTXSID70989792
• Nikkaji Number: J1.952.148F
• Wikidata: Q82979048
• Mol file: 6966-45-6.mol

Synonyms:(4-Chlorophenyl)methanesulfonyl chloride;6966-45-6;4-Chlorobenzylsulfonyl chloride;(4-Chloro-phenyl)-methanesulfonyl chloride;MFCD01631927;4-chloro-alpha-toluenesulfonyl chloride;(4-Chlorophenyl)methanesulfonylchloride;[(4-chlorophenyl)methyl]sulfonyl chloride;((4-Chlorophenyl)methyl)sulfonyl chloride;NSC18788;SCHEMBL925715;DTXSID70989792;p-Chloro-A-toluenesulfonyl chloride;AR2921;GEO-00764;NSC-18788;STK352056;4-chlorophenyl-methylsulfonyl chloride;4-chloro-phenylmethanesulfonyl chloride;4-Chlorobenzenemethanesulfonyl chloride;4-Chlorobenzylsulfonyl chloride, 97%;4-chlorophenyl methanesulfonyl chloride;AKOS000130499;AB09400;Benzenemethanesulfonylchloride,4-chloro-;(4-chlorophenyl)methanesulphonyl chloride;(4-chloro-phenyl)methanesulfonyl chloride;(4-Chlorophenyl)-methanesulfonyl chloride;(4-chlorophenyl)methane-sulfonyl chloride;AS-45480;4-Chlorobenzenemethanesulfonic acid chloride;CS-0071314;FT-0604759;EN300-200067;A836593;F2189-0211

Chemical Property of (4-Chlorophenyl)methanesulfonyl chloride

Chemical Property:

• Vapor Pressure: 2.36E-20mmHg at 25°C
• Melting Point: 93-97 °C
• Refractive Index: 1.577
• Boiling Point: 321.2 °C at 760 mmHg
• Flash Point: 148 °C
• PSA: 42.52000
• Density: 1.499 g/cm³
• LogP: 3.48940
• Sensitive.: Moisture Sensitive
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.9465560
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

(4-Chlorophenyl)methanesulfonylChloride ^*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: C1=CC(=CC=C1CS(=O)(=O)Cl)Cl

Technology Process of (4-Chlorophenyl)methanesulfonyl chloride

There total 13 articles about (4-Chlorophenyl)methanesulfonyl 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: 98.7%

S-(4-chlorobenzyl)methylthiocarbamate (92988-97-1) → 4-chlorobenzylsulfonyl chloride (6966-45-6)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 10 ℃;

DOI:10.1055/s-2006-950353

Reference yield: 91.0%

S-(4-chlorobenzyl)isothiourea hydrochloride (544-47-8) → 4-chlorobenzylsulfonyl chloride (6966-45-6)

Guidance literature:

With tert-butylhypochlorite; In water; acetonitrile; at 0 - 20 ℃;

DOI:10.1055/s-0034-1381024

Reference yield: 77.0%

4-chlorobenzyl bromide (622-95-7) → 4-chlorobenzylsulfonyl chloride (6966-45-6)

Guidance literature:

4-chlorobenzyl bromide; With sodium hydroxide; sodium sulfite; In water; for 4h; Reflux;

With thionyl chloride; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1021/acs.joc.7b01340

upstream raw materials:

bis(4-chlorobenzyl)disulfide

S-(4-chlorobenzyl)isothiourea hydrochloride

S-(4-chlorobenzyl)methylthiocarbamate

S-(4-chlorobenzyl) ethanethioate

Downstream raw materials:

4-chlorostyryltrimethylsilane

C-(4-Chloro-phenyl)-N-(3-phenyl-propyl)-methanesulfonamide

N-tert-Butyl-C-(4-chloro-phenyl)-methanesulfonamide

4-chlorophenyl(phenyl)methane