Sulfanilyl fluoride supplier

Name
Sulfanilyl fluoride
EINECS 202-687-4
CAS No. 98-62-4
Article Data11
CAS DataBase
Density 1.43 g/cm³
Solubility
Melting Point 68-69°
Formula C₆H₆FNO₂S
Boiling Point 284.2 °C at 760 mmHg
Molecular Weight 175.184
Flash Point 125.7 °C
Transport Information
Appearance white or yellow-white solid.
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms Sulfanilylfluoride (6CI,7CI,8CI);(p-Fluorosulfonyl)aniline;4-(Fluorosulfonyl)aniline;4-Aminobenzenesulfonyl fluoride;NSC 95411;p-Aminobenzenesulfonyl fluoride;p-Sulfanilyl fluoride;
PSA 68.54000
LogP 2.58900

Sulfanilyl fluoride Specification

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

Product Name

Sulfanilyl fluoride

Sulfanilyl fluoride Specification

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