difluoromethanesulfonyl fluoride

The Difluoromethanesulfonyl fluoride, with the CAS registry number 1554-47-8, is also known as Methanesulfonyl fluoride, 1,1-difluoro-. This chemical's molecular formula is CHF₃O₂S and molecular weight is 134.08. Its systematic name is called difluoromethanesulfonyl fluoride.

Physical properties of Difluoromethanesulfonyl fluoride: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.73; (6)ACD/BCF (pH 7.4): 3.73; (7)ACD/KOC (pH 5.5): 89.3; (8)ACD/KOC (pH 7.4): 89.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.307; (13)Molar Refractivity: 15.82 cm³; (14)Molar Volume: 82.7 cm³; (15)Surface Tension: 22.8 dyne/cm; (16)Density: 1.619 g/cm³; (17)Melting Point: 50-55 °C; (18)Enthalpy of Vaporization: 27.61 kJ/mol; (19)Boiling Point: 44 °C at 760 mmHg; (20)Vapour Pressure: 382 mmHg at 25°C.

Preparation of Difluoromethanesulfonyl fluoride: this chemical can be prepared by Difluoromethanesulphonyl chloride. This reaction is a kind of Fluorination. It will need reagent KF, Ac₂O and solvent acetic acid. The reaction time is 10 hours with reaction temperature of 90 ℃. The yield is about 50%.

Uses of Difluoromethanesulfonyl fluoride: it can be used to produce difluoromethanesulfonic acid at temperature of 80 °C. This reaction will need reagent H₂O and solvent tetrahydrofuran with reaction time of 6 hours. The yield is about 99%.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)S(F)(=O)=O
(2)InChI: InChI=1/CHF3O2S/c2-1(3)7(4,5)6/h1H
(3)InChIKey: OEDFBJZWAYJCHE-UHFFFAOYAM