4-Fluorobenzenesulfonamide

The CAS register number of Benzenesulfonamide,4-fluoro- is 402-46-0. It also can be called as p-Fluorobenzenesulphonamide and the IUPAC name about this chemical is 4-fluorobenzenesulfonamide. The molecular formula about this chemical is C₆H₆FNO₂S and the molecular weight is 175.18. It belongs to the following product categories which include Sulfonamide; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het; Organic Building Blocks; Sulfonamides/Sulfinamides; Sulfur Compounds and so on.

Physical properties about Benzenesulfonamide,4-fluoro- are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): 0.64; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5): 1.8; (5)ACD/BCF (pH 7.4): 1.8; (6)ACD/KOC (pH 5.5): 53.08; (7)ACD/KOC (pH 7.4): 52.95; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.76Ų; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 39.3 cm³; (14)Molar Volume: 122.5 cm³; (15)Polarizability: 15.58x10^-24cm³; (16)Surface Tension: 46.6 dyne/cm; (17)Flash Point: 140 °C; (18)Enthalpy of Vaporization: 54.85 kJ/mol; (19)Boiling Point: 307.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000705 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-fluoro-benzenesulfonyl chloride. This reaction will need reagent (NH₄)₂CO₃.

Uses of Benzenesulfonamide,4-fluoro-: it can be used to produce bis-(4-fluoro-benzenesulfonyl)-amine with 4-fluoro-benzenesulfonyl chloride at temperature of 55 - 60 ℃. This reaction will need reagent OH^-. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(F)cc1)N
(2)InChI: InChI=1/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
(3)InChIKey: LFLSATHZMYYIAQ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
(5)Std. InChIKey: LFLSATHZMYYIAQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	562mg/kg (562mg/kg)		Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965.