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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

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

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

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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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
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
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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