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136387

Sigma-Aldrich

4-(Fluorosulfonyl)benzoyl chloride

technical grade, 90%

Synonym(s):

p-(Fluorosulfonyl)benzoyl chloride

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About This Item

Linear Formula:
FSO2C6H4COCl
CAS Number:
402-55-1
Molecular Weight:
222.62
EC Number:
206-949-9
MDL number:
MFCD00007419
UNSPSC Code:
12352100
PubChem Substance ID:
24848279
NACRES:
NA.22

grade

technical grade

Quality Level

100

Assay

90%

reaction suitability

reaction type: click chemistry

bp

96-97 °C/0.7 mmHg (lit.)

mp

46-48 °C (lit.)

SMILES string

FS(=O)(=O)c1ccc(cc1)C(Cl)=O

InChI

1S/C7H4ClFO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H

InChI key

JMTAYFNTRRLWQG-UHFFFAOYSA-N

Application

4-(Fluorosulfonyl)benzoyl chloride was used as reagent in the synthesis of irreversible adenosine A1 antagonist 8-cyclopentyl-3-N-[3-((3-(4-fluorosulphonyl)benzoyl)-oxy)-propyl]-1-N-propyl-xanthine.

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302,H314,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Benzoyl chloride ReagentPlus®, ≥99%

Sigma-Aldrich

B12695

Benzoyl chloride

J E van Muijlwijk-Koezen et al.
Bioorganic & medicinal chemistry letters, 11(6), 815-818 (2001-03-30)
A new preparative synthetic route for the irreversible adenosine A1 antagonist 8-cyclopentyl-3-N-[3-((3-(4-fluorosulphonyl)benzoyl)-oxy)-propyl]-1-N-propyl-xanthine (FSCPX, 1) is described. The availability of ample amounts of the irreversible antagonist FSCPX allowed us to use FSCPX as a research tool for adenosine A1 receptors in

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