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542733

Sigma-Aldrich

4-Fluorobenzenesulfonamide

98%

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About This Item

Linear Formula:
FC6H4SO2NH2
CAS Number:
402-46-0
Molecular Weight:
175.18
EC Number:
206-946-2
MDL number:
MFCD00025384
UNSPSC Code:
12352100
PubChem Substance ID:
24878629
NACRES:
NA.22

assay

98%

mp

124-127 °C (lit.)

SMILES string

NS(=O)(=O)c1ccc(F)cc1

InChI

1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChI key

LFLSATHZMYYIAQ-UHFFFAOYSA-N

General description

4-Fluorobenzenesulfonamide is a para-halogen benzenesulfonamide. Ab initio Hartree-Fock (HF) and density functional theory (DFT) have been used to investigate the structural features of 4-fluorobenzenesulfonamide.

Application

4-Fluorobenzenesulfonamide may be used to synthesize 4-fluorophenylsulfonyldithiocarbimate potassium dihydrate and amino-substituted sulfanilamide derivatives.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

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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L B Dugad et al.
Biochemistry, 27(12), 4310-4316 (1988-06-14)
Binding of 4-fluorobenzenesulfonamide to human carbonic anhydrases I and II has been studied by proton, fluorine, and nitrogen-15 nuclear magnetic resonance spectroscopy. All three types of experiments provide evidence that the stoichiometry of the interaction of this inhibitor with both
Guillaume Compain et al.
Bioorganic & medicinal chemistry, 21(6), 1555-1563 (2012-06-19)
A series of new, halogen containing N-substituted 4-aminobenzenesulfonamides were synthesized by using superacid HF/SbF5 chemistry and investigated as inhibitors of several human carbonic anhydrase (hCA, EC 4.2.1.1) isoforms, that is, the cytosolic hCA I and II and, the tumor-associated transmembrane
Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-XC6H4SO2NH2 (X= Cl, Br or F).
Karabacak M, et al.
Journal of Molecular Structure, 919(1), 26-33 (2009)
Bis (4-fluorophenylsulfonyldithiocarbimato) zincate (ii) salts: new antifungals for the control of botrytis blight.
Oliveira AA, et al.
Quimica nova, 38(6), 757-761 (2015)

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