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Triethylsilyl trifluoromethanesulfonate

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Name

Triethylsilyl trifluoromethanesulfonate

EINECS 279-124-4
CAS No. 79271-56-0 Density 1.182 g/cm3
PSA 51.75000 LogP 3.93860
Solubility Miscible with dichloromethane, hydrocarbons, dialkyl ethers and halogenated solvents. Immiscible with water. Melting Point N/A
Formula C7H15F3O3SSi Boiling Point 207.3 °C at 760 mmHg
Molecular Weight 264.341 Flash Point 79.2 °C
Transport Information UN 3265 8/PG 2 Appearance clear colorless to light brown fuming liquid
Safety 26-36/37/39-45 Risk Codes 14-34
Molecular Structure Molecular Structure of 79271-56-0 (Triethylsilyl trifluoromethanesulfonate) Hazard Symbols CorrosiveC
Synonyms

Methanesulfonicacid, trifluoro-, triethylsilyl ester (9CI);Triethylsilyl triflate;Triethylsilyltrifluoromethanesulfonate;Trifluoromethanesulfonic acid triethylsilyl ester;1,1,1-triethylsilyl trifluoromethanesulfonate;Methanesulfonic acid, 1,1,1-trifluoro-, triethylsilyl ester;

Article Data 5

Triethylsilyl trifluoromethanesulfonate Specification

The Methanesulfonic acid,1,1,1-trifluoro-, triethylsilyl ester, with the CAS registry number 79271-56-0 and EINECS registry number 279-124-4, has the systematic name of triethylsilyl trifluoromethanesulfonate. The molecular formula of this chemical is C7H15F3O3SSi. It is a kind of clear colorless to light brown fuming liquid, and should be protected from oxidizer, alkali and moisture.

The physical properties of Methanesulfonic acid,1,1,1-trifluoro-, triethylsilyl ester are as following: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 810.32; (6)ACD/BCF (pH 7.4): 810.32; (7)ACD/KOC (pH 5.5): 4203.55; (8)ACD/KOC (pH 7.4): 4203.55; (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: 1.399; (14)Molar Refractivity: 54.13 cm3; (15)Molar Volume: 223.6 cm3; (16)Polarizability: 21.45×10-24cm3; (17)Surface Tension: 24.2 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 79.2 °C; (20)Enthalpy of Vaporization: 42.54 kJ/mol; (21)Boiling Point: 207.3 °C at 760 mmHg; (22)Vapour Pressure: 0.327 mmHg at 25°C.

Uses of Methanesulfonic acid,1,1,1-trifluoro-, triethylsilyl ester: It can react with 1-diazo-3,3-dimethyl-butan-2-one to produce 1-Diazo-3,3-dimethyl-1-(triethylsilyl)-2-butanone. This reaction will need reagent ethyldiisopropylamine, and the solvent diethyl ether. The reaction time is 4 hours with ambient temperature, and the yield is about 87%.    

Methanesulfonic acid,1,1,1-trifluoro-, triethylsilyl ester can react with 1-diazo-3,3-dimethyl-butan-2-one to produce 1-Diazo-3,3-dimethyl-1-(triethylsilyl)-2-butanone

You should be cautious while dealing with this chemical. It reacts violently with water, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Take off immediately all contaminated clothing; 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](CC)(CC)CC)C(F)(F)F
(2)InChI: InChI=1/C7H15F3O3SSi/c1-4-15(5-2,6-3)13-14(11,12)7(8,9)10/h4-6H2,1-3H3
(3)InChIKey: STMPXDBGVJZCEX-UHFFFAOYAA

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