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CAS No.: | 98-62-4 |
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Name: | Sulfanilyl fluoride |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H6FNO2S |
Molecular Weight: | 175.184 |
Synonyms: | Sulfanilylfluoride (6CI,7CI,8CI);(p-Fluorosulfonyl)aniline;4-(Fluorosulfonyl)aniline;4-Aminobenzenesulfonyl fluoride;NSC 95411;p-Aminobenzenesulfonyl fluoride;p-Sulfanilyl fluoride; |
EINECS: | 202-687-4 |
Density: | 1.43 g/cm3 |
Melting Point: | 68-69° |
Boiling Point: | 284.2 °C at 760 mmHg |
Flash Point: | 125.7 °C |
Appearance: | white or yellow-white solid. |
Hazard Symbols: | C |
PSA: | 68.54000 |
LogP: | 2.58900 |
The Sulfanilyl fluoride, with CAS registry number 98-62-4, has the systematic name of 4-aminobenzenesulfonyl fluoride. And its IUPAC name is the same one. This chemical is a kind of off-white to brown crystalline powder. And the chemical formula of this chemical is C6H6FNO2S. What's more, its EINECS is 202-687-4.
Physical properties of Sulfanilyl fluoride: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.71; (6)ACD/BCF (pH 7.4): 5.71; (7)ACD/KOC (pH 5.5): 121.07; (8)ACD/KOC (pH 7.4): 121.08; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 39.3 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 15.58×10-24cm3; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 125.7 °C; (20)Enthalpy of Vaporization: 52.32 kJ/mol; (21)Boiling Point: 284.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00302 mmHg at 25°C.
Uses of Sulfanilyl fluoride: it can be used to produce sulfanilic acid phenoxathiin-2-ylamide. This reaction will need reagent NEt3 and solvent acetonitrile. The reaction time is 6 hour(s) with reaction temperature of 60 ℃. The yield is about 50%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(F)(=O)c1ccc(N)cc1
(2)InChI: InChI=1/C6H6FNO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H,8H2
(3)InChIKey: BPUKPIBWYZWYQV-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H6FNO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H,8H2
(5)Std. InChIKey: BPUKPIBWYZWYQV-UHFFFAOYSA-N