2-Chloro-5-(fluorosulfonyl)benzoic acid

Base Information

Chemical Name:2-Chloro-5-(fluorosulfonyl)benzoic acid
CAS No.:21346-66-7
Molecular Formula:C7H4ClFO4S
Molecular Weight:238.624
Hs Code.:2916399090
European Community (EC) Number:244-338-9
DSSTox Substance ID:DTXSID90175615
Nikkaji Number:J124.159A
Wikidata:Q83045962
Mol file:21346-66-7.mol

Synonyms:2-Chloro-5-(fluorosulfonyl)benzoic acid;21346-66-7;2-chloro-5-fluorosulfonylbenzoic acid;2-Chloro-5-(fluorosulpho)benzoic acid;2-Chloro-5-fluorosulfonyl-benzoic acid;SCHEMBL394260;DTXSID90175615;EINECS 244-338-9;2-Chloro-5-(fluorosulfonyl)benzoicacid;VS-0013;Benzoic acid, 2-chloro-5-(fluorosulfonyl)-;CS-0230004;FT-0638113;EN300-101873;F76299;A815286;Z1269225985

Suppliers and Price of 2-Chloro-5-(fluorosulfonyl)benzoic acid

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

American Custom Chemicals Corporation
2-CHLORO-5-(FLUOROSULFONYL)BENZOIC ACID 95.00%
1G
$ 203.70

American Custom Chemicals Corporation
2-CHLORO-5-(FLUOROSULFONYL)BENZOIC ACID 95.00%
2.5G
$ 1744.80

AK Scientific
2-Chloro-5-(fluorosulfonyl)benzoicacid
500mg
$ 353.00

AK Scientific
2-Chloro-5-(fluorosulfonyl)benzoicacid
250mg
$ 253.00

AHH
2-Chloro-5-(fluorosulfonyl)benzoicacid 99%
25g
$ 955.00

Total 10 raw suppliers

Chemical Property of 2-Chloro-5-(fluorosulfonyl)benzoic acid

Chemical Property:

Vapor Pressure:3.97E-06mmHg at 25°C
Melting Point:148-150oC(lit.)
Boiling Point:370°C at 760 mmHg
PKA:2.05±0.25(Predicted)
Flash Point:177.6°C
PSA：79.82000
Density:1.649g/cm³
LogP:2.77720
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:237.9502856
Heavy Atom Count:14
Complexity:323

Purity/Quality:

97% ^*data from raw suppliers

2-CHLORO-5-(FLUOROSULFONYL)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C
Statements: 34
Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=C(C=C1S(=O)(=O)F)C(=O)O)Cl

Technology Process of 2-Chloro-5-(fluorosulfonyl)benzoic acid

There total 2 articles about 2-Chloro-5-(fluorosulfonyl)benzoic acid 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: 98.0%

: 137-64-4
2-chloro-5-(chlorosulfonyl)benzoic acid

: 21346-66-7
2-chloro-5-(fluorosulfonyl)benzoic acid

Guidance literature:: With potassium hydrogen bifluoride; In 1,4-dioxane; water; at 20 ℃; for 0.5h; Inert atmosphere;
DOI:10.1021/ja311729d

Reference yield:

: 118-91-2
ortho-chlorobenzoic acid

: 21346-66-7
2-chloro-5-(fluorosulfonyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: chlorosulfonic acid / 1 h / 120 °C / Inert atmosphere

2: potassium hydrogen bifluoride / 1,4-dioxane; water / 0.5 h / 20 °C / Inert atmosphere

With chlorosulfonic acid; potassium hydrogen bifluoride; In 1,4-dioxane; water;
DOI:10.1021/ja311729d