2-Chloro-4-cyanobenzenesulfonyl chloride

Base Information

Chemical Name:2-Chloro-4-cyanobenzenesulfonyl chloride
CAS No.:254749-11-6
Molecular Formula:C₇H₃Cl₂NO₂S
Molecular Weight:236.078
Hs Code.:2926909090
European Community (EC) Number:626-290-4
DSSTox Substance ID:DTXSID10370903
Wikidata:Q82158079
Mol file:254749-11-6.mol

Synonyms:2-Chloro-4-cyanobenzenesulfonyl chloride;254749-11-6;2-Chloro-4-Cyanobenzene-1-Sulfonyl Chloride;Benzenesulfonyl chloride, 2-chloro-4-cyano-;2-chloro-4-cyano-benzenesulfonyl Chloride;MFCD00177089;SCHEMBL1020883;AMY3122;DTXSID10370903;GNJOWOAPHOFJBW-UHFFFAOYSA-N;BBL103857;STL557667;AKOS005254610;2-chloro-4-cyanobenzene sulfonyl chloride;2-Chloro-4-cyanobenzenesulphonyl chloride;AS-40355;2-Chloro-4-cyanobenzene-1-sulfonylchloride;2-CHLORO-4-CYANOphenylsulfonyl CHLORIDE;2-chloranyl-4-cyano-benzenesulfonyl chloride;CS-0157143;FT-0611753;2-chloro-4-cyanobenzenesulfonic acid chloride;2-Chloro-4-cyanobenzenesulfonyl chloride, 96%;2-CHLORO-4-CYANOBENZENESULFONYLCHLORIDE;EN300-129417;A817871;J-016005

Suppliers and Price of 2-Chloro-4-cyanobenzenesulfonyl chloride

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

TRC
2-Chloro-4-cyanobenzenesulfonyl chloride
500mg
$ 40.00

SynQuest Laboratories
2-Chloro-4-cyanobenzenesulfonyl chloride+ 95%
1 g
$ 28.00

Sigma-Aldrich
2-Chloro-4-cyanobenzenesulfonyl chloride 96%
5g
$ 332.00

Sigma-Aldrich
2-Chloro-4-cyanobenzenesulfonyl chloride 96%
1g
$ 75.00

Matrix Scientific
2-Chloro-4-cyanobenzenesulfonyl chloride 95+%
1g
$ 24.00

Matrix Scientific
2-Chloro-4-cyanobenzenesulfonyl chloride 95+%
5g
$ 104.00

Crysdot
2-Chloro-4-cyanobenzene-1-sulfonylchloride 98%
25g
$ 304.00

Crysdot
2-Chloro-4-cyanobenzene-1-sulfonylchloride 98%
5g
$ 76.00

Crysdot
2-Chloro-4-cyanobenzene-1-sulfonylchloride 98%
10g
$ 148.00

Apolloscientific
2-Chloro-4-cyanobenzenesulphonylchloride 95+%
1g
$ 25.00

Total 41 raw suppliers

Chemical Property of 2-Chloro-4-cyanobenzenesulfonyl chloride

Chemical Property:

Vapor Pressure:4.89E-05mmHg at 25°C
Melting Point:102-106 °C
Refractive Index:1.616
Boiling Point:348.9 °C at 760 mmHg
Flash Point:164.8 °C
PSA：66.31000
Density:1.65 g/cm³
LogP:3.21998
Storage Temp.:2-8°C
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:234.9261549
Heavy Atom Count:13
Complexity:326

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-4-cyanobenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

Pictogram(s): C,Xi
Hazard Codes:C,Xi
Statements: 34-43
Safety Statements: 26-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)Cl)S(=O)(=O)Cl
Uses 2-Chloro-4-cyanobenzenesulfonyl Chloride is used in preparation of Hydroxysulfonyloxaazaspirodecanylaminopropoxybenzenesulfonamide derivatives for use as beta-3 Adrenergic receptor modulators.

Technology Process of 2-Chloro-4-cyanobenzenesulfonyl chloride

There total 3 articles about 2-Chloro-4-cyanobenzenesulfonyl 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: 88.0%

: 21803-75-8
4-amino-3-chlorobenzonitrile

: 254749-11-6
2-chloro-4-cyanobenzene-1-sulfonyl chloride

Guidance literature:: With thionyl chloride; copper(l) chloride; sodium nitrite; In water; at -5 - 0 ℃;

Reference yield: 24.0%

: 4-(benzylthio)-3-chlorobenzonitrile

: 254749-11-6
2-chloro-4-cyanobenzene-1-sulfonyl chloride

Guidance literature:: With 1,3-dichloro-5,5-dimethylhydantoin; acetic acid; In water; acetonitrile; at 28 ℃; for 16h;

Reference yield:

: 6574-99-8
3,4-dichloro-benzonitrile

: 254749-11-6
2-chloro-4-cyanobenzene-1-sulfonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 28 - 100 °C

2: acetic acid; 1,3-dichloro-5,5-dimethylhydantoin / water; acetonitrile / 16 h / 28 °C

With 1,3-dichloro-5,5-dimethylhydantoin; potassium carbonate; acetic acid; In water; N,N-dimethyl-formamide; acetonitrile;