TRIMETHYLSILYL NONAFLUOROBUTANESULFONATE

The Trimethylsilylperfluoro-1-butanesulfonate, with the CAS registry number 68734-62-3, is also known as Trimethylsilyl nonafluorobutanesulfonate. This chemical's molecular formula is C₇H₉F₉O₃SSi and molecular weight is 372.28. What's more, its systematic name is Trimethylsilyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Physical properties of Trimethylsilylperfluoro-1-butanesulfonate are: (1)ACD/LogP: 6.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.59; (4)ACD/LogD (pH 7.4): 6.59; (5)ACD/BCF (pH 5.5): 59817.44; (6)ACD/BCF (pH 7.4): 59817.44; (7)ACD/KOC (pH 5.5): 91376.5; (8)ACD/KOC (pH 7.4): 91376.5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.347; (14)Molar Refractivity: 54.87 cm³; (15)Molar Volume: 256.4 cm³; (16)Polarizability: 21.75×10^-24 cm³; (17)Surface Tension: 19.4 dyne/cm; (18)Density: 1.451 g/cm³; (19)Flash Point: 73.9 °C; (20)Enthalpy of Vaporization: 41.7 kJ/mol; (21)Boiling Point: 198.6 °C at 760 mmHg; (22)Vapour Pressure: 0.504 mmHg at 25 °C.

Preparation: this chemical can be prepared by nonafluoro-butane-1-sulfonic acid and chloro-trimethyl-silane at 50-70 °C. It will take 12 hours to reach  yield of about 96%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and may cause burns. It is also irritating to the respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O[Si](C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C7H9F9O3SSi/c1-21(2,3)19-20(17,18)7(15,16)5(10,11)4(8,9)6(12,13)14/h1-3H3
(3)InChIKey: XMIPIKYUVSCYKT-UHFFFAOYAR