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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

Assay

90%

reaction suitability

reaction type: click chemistry

bp

96-97 °C/0.7 mmHg (lit.)

mp

46-48 °C (lit.)

functional group

acyl chloride

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN4914
MKBZ8238V
07721BG
06023LV

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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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