Benzenesulfonic acid, o-chloro-phenyl ester

Base Information

Chemical Name:Benzenesulfonic acid, o-chloro-phenyl ester
CAS No.:13659-19-3
Molecular Formula:C12H9 Cl O3 S
Molecular Weight:268.721
Hs Code.:2909499000
DSSTox Substance ID:DTXSID40159844
Wikidata:Q83028220
Mol file:13659-19-3.mol

Synonyms:Benzenesulfonic acid, o-chloro-phenyl ester;phenyl 2-chlorobenzenesulfonate;13659-19-3;SCHEMBL196710;DTXSID40159844;AKOS008678028

Suppliers and Price of Benzenesulfonic acid, o-chloro-phenyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Benzenesulfonic acid, o-chloro-phenyl ester

Chemical Property:

Vapor Pressure:1.74E-06mmHg at 25°C
Melting Point:41-43 °C
Boiling Point:407.7°Cat760mmHg
Flash Point:200.4°C
PSA：51.75000
Density:1.377g/cm³
LogP:4.18850
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:267.9960930
Heavy Atom Count:17
Complexity:330

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2Cl

Technology Process of Benzenesulfonic acid, o-chloro-phenyl ester

There total 3 articles about Benzenesulfonic acid, o-chloro-phenyl ester 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: 85.0%

: 126644-70-0
1-<(tert-butyldimethylsilyl)oxy>-2-chlorobenzene

: 133745-75-2
N-fluorobis(benzenesulfon)imide

: 13659-19-3
(2-chlorophenyl) benzenesulfonate

Guidance literature:: N-fluorobis(benzenesulfon)imide; With potassium fluoride; In N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

1-<(tert-butyldimethylsilyl)oxy>-2-chlorobenzene; In N,N-dimethyl-formamide; at 20 ℃; for 2.5h;
DOI:10.1016/j.tetlet.2020.151660

Reference yield:

: 95-57-8
2-monochlorophenol

: 13659-19-3
(2-chlorophenyl) benzenesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 1H-imidazole / N,N-dimethyl-formamide / 20 °C

2.1: potassium fluoride / N,N-dimethyl-formamide / 0.08 h / 20 °C

2.2: 2.5 h / 20 °C

With 1H-imidazole; potassium fluoride; In N,N-dimethyl-formamide;
DOI:10.1016/j.tetlet.2020.151660