4-Fluorobenzenesulfonamide

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Names

[ CAS No. ]:
402-46-0

[ Name ]:
4-Fluorobenzenesulfonamide

[Synonym ]:
4-FLOUROBENZENESULFONAMIDE
4-fluorobenzesulfonamide
p-fluorophenylsulfonamide
p-fluorobenzenesulfonamide
4-fluorophenylsulfonamide
4-FLUOROBENZENESULFONAMIDE
p-Fluorobenzenesulphonamide
4-fluorobenzenesulphonamide
EINECS 206-946-2
4-(fluoro)benzenesulfonamide
MFCD00025384
4-fluorobenzensulfonamide
Benzenesulfonamide,p-fluoro
4-fluorobenzene-1-sulfonamide

Chemical & Physical Properties

[ Density]:
1.428g/cm3

[ Boiling Point ]:
307.9ºC at 760mmHg

[ Melting Point ]:
124-127 °C(lit.)

[ Molecular Formula ]:
C₆H₆FNO₂S

[ Molecular Weight ]:
175.18100

[ Flash Point ]:
140ºC

[ Exact Mass ]:
175.01000

[ PSA ]:
68.54000

[ LogP ]:
2.25420

[ Vapour Pressure ]:
0.000705mmHg at 25°C

[ Index of Refraction ]:
1.554

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DB2630000

CHEMICAL NAME :: Benzenesulfonamide, p-fluoro-

CAS REGISTRY NUMBER :: 402-46-0

BEILSTEIN REFERENCE NO. :: 2832246

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H6-F-N-O2-S

MOLECULAR WEIGHT :: 175.19

WISWESSER LINE NOTATION :: ZSWR DF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 562 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,548,1965

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P301 + P312 + P330-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R23/24/25;R36/37/38

[ Safety Phrases ]:
S26-S36-S45

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
DB2630000

[ HS Code ]:
2935009090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

chloro(4-fluorophenyl)sulfone
N-(TERT-BUTYL)-4-FLUOROBENZENESULFONAMIDE
Fluorobenzene
N-diazo-4-fluorobenzenesulfonamide
Allyltributyltin
Allyl(triphenyl)stannane
4-fluorobenzenesulfonyl fluoride
4-chlorobenzenesulfonyl fluoride

DownStream

4-fluoro-N-(triphenyl-λ5-phosphanylidene)benzenesulfonamide
4-fluoro-N-phenylbenzenesulfonamide
4-fluorobenzenesulfonyl isocyanate
4-Fluorothiophenol
4-fluoro-N-(trichloro-λ5-phosphanylidene)benzenesulfonamide
1,2,3,4-tetrahydroquinoline-6-sulfonamide
5-(4-ethoxyphenyl)-8,8-dimethyl-2-propylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
N-Benzyl-4-fluorobenzenesulfonamide
methyl 2-(4-sulfamoylphenoxy)acetate
tert-butyl N-(4-fluorophenyl)sulfonylcarbamate

Customs

[ HS Code ]: 2935009090

[ Summary ]:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

Articles

Superacid synthesis of halogen containing N-substituted-4-aminobenzene sulfonamides: new selective tumor-associated carbonic anhydrase inhibitors.

Bioorg. Med. Chem. 21(6) , 1555-63, (2013)

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 (h...

NMR studies of carbonic anhydrase-4-fluorobenzenesulfonamide complexes.

Biochemistry 27(12) , 4310-6, (1988)

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 experiment...

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.

J. Mol. Struct. 919(1) , 26-33, (2009)