(2-Chlorophenyl)methanesulfonyl chloride

Base Information

• Chemical Name: (2-Chlorophenyl)methanesulfonyl chloride
• CAS No.: 77421-13-7
• Molecular Formula: C7H6Cl2O2S
• Molecular Weight: 225.095
• European Community (EC) Number: 626-724-2
• DSSTox Substance ID: DTXSID00374036
• Nikkaji Number: J3.200.323K
• Wikidata: Q82162491
• Mol file: 77421-13-7.mol

Synonyms:(2-Chlorophenyl)methanesulfonyl chloride;77421-13-7;(2-Chloro-phenyl)-methanesulfonyl chloride;2-Chlorobenzylsulfonyl chloride;MFCD04116369;(2-chlorophenyl)-METHANESULFONYL CHLORIDE;SCHEMBL5963;DTXSID00374036;CHPZYFXSICSCNY-UHFFFAOYSA-N;BBL017942;GEO-00767;STK502407;2-Chlorobenzylsulfonyl chloride, 97%;AKOS000130183;(2-Chlorophenyl)methanesulfonylchloride;FS-5548;(2-chloro-phenyl)methanesulfonyl chloride;(2-chlorophenyl)methane-sulfonyl chloride;[(2-chlorophenyl)methyl]sulfonyl chloride;[(2-chlorophenyl)-methyl]sulfonyl chloride;(2-Chlorophenyl)methanesulfonic acid chloride;BB 0254200;FT-0604620;EN300-65586;(2-CHLORO-PHENYL)-METHANESULFONYLCHLORIDE;A839090;F3308-2772;(2-chlorophenyl)methanesulfonyl chloride;2-Chlorobenzylsulfonyl Chloride

Chemical Property of (2-Chlorophenyl)methanesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.000569mmHg at 25°C
• Melting Point: 60 °C
• Refractive Index: 1.578
• Boiling Point: 321.2 °C at 760 mmHg
• Flash Point: 148 °C
• PSA: 42.52000
• Density: 1.499 g/cm³
• LogP: 3.48940
• Storage Temp.: 2-8°C
• 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: 232

Purity/Quality:

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

(2-Chlorophenyl)methanesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C,Xn
• Hazard Codes: Xi,C,Xn
• Statements: 34-29-14-41-37/38-22
• Safety Statements: 26-36/37/39-39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Chlorophenyl)methanesulfonyl chloride

There total 9 articles about (2-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: 93.0%

2-chlorophenylmethyl carbamimidothioate hydrochloride (3778-85-6) → (2-chlorobenzyl)sulfonyl chloride (77421-13-7)

Guidance literature:

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

DOI:10.1055/s-0034-1381024

Reference yield: 36.0%

Sodium 2-chlorobenzylsulphonate (41345-36-2) → (2-chlorobenzyl)sulfonyl chloride (77421-13-7)

Guidance literature:

With trichlorophosphate; at 105 ℃; for 6h;

DOI:10.1016/j.bmc.2008.02.020

Reference yield:

1-bromomethyl-2-chlorobenzene (611-17-6) → (2-chlorobenzyl)sulfonyl chloride (77421-13-7)

Guidance literature:

With sodium sulfite; In water; at 80 ℃; for 4h;

DOI:10.1021/acscatal.7b01669

upstream raw materials:

2-chlorophenylmethyl carbamimidothioate hydrochloride

Sodium 2-chlorobenzylsulphonate

1-chloro-2-(chloromethyl)benzene

1-bromomethyl-2-chlorobenzene

Downstream raw materials:

(2-Chloro-phenyl)-methanesulfonic acid 2,4-dinitro-phenyl ester

(E)-2,2'-dichlorostilbene

(Z)-1,2-bis(2-chlorophenyl)ethene

(2S,3S)-2,3-Bis-(2-chloro-phenyl)-thiirane 1,1-dioxide

Refernces

• 1、 Bera, Milan,Agasti, Soumitra,Chowdhury, Rajdip,Mondal, Rahul,Pal, Debasis,Maiti, Debabrata. "Rhodium-Catalyzed meta-C?H Functionalization of Arenes". supporting information. p. 5272 - 5276. Retrieved 2017/04/27.
• 2、 Gualandi, Andrea,Mazzarella, Daniele,Ortega-Martínez, Aitor,Mengozzi, Luca,Calcinelli, Fabio,Matteucci, Elia,Monti, Filippo,Armaroli, Nicola,Sambri, Letizia,Cozzi, Pier Giorgio. "Photocatalytic Radical Alkylation of Electrophilic Olefins by Benzylic and Alkylic Zinc-Sulfinates". . p. 5357 - 5362. Retrieved 2017/08/17.