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Triethyl(trifluoromethyl)silane

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Name

Triethyl(trifluoromethyl)silane

EINECS N/A
CAS No. 120120-26-5 Density 0.939 g/cm3
PSA 0.00000 LogP 4.01630
Solubility N/A Melting Point <0 °C
Formula C7H15F3Si Boiling Point 112.451 °C at 760 mmHg
Molecular Weight 184.277 Flash Point 21.81 °C
Transport Information UN 1993 Appearance colorless, extremely toxic gas with corruption fish smell
Safety 16-23-24/25 Risk Codes 11
Molecular Structure Molecular Structure of 120120-26-5 (TRIETHYL(TRIFLUOROMETHYL)SILANE) Hazard Symbols FlammableF
Synonyms

Triethyltrifluoromethylsilane;

Article Data 8

Triethyl(trifluoromethyl)silane Specification

The IUPAC name of Triethyl(trifluoromethyl)silane is Triethyl(trifluoromethyl)silane. With the CAS registry number 120120-26-5, it is also named as Silane,triethyl(trifluoromethyl)-. The product's category is Silane Reagents. In addition, its molecular formula is C7H15F3Si and molecular weight is 184.27.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 388.71; (6)ACD/BCF (pH 7.4): 388.71; (7)ACD/KOC (pH 5.5): 2484.611; (8)ACD/KOC (pH 7.4): 2484.611; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Index of Refraction: 1.363; (13)Molar Refractivity: 43.653 cm3; (14)Molar Volume: 196.211 cm3; (15)Polarizability: 17.305×10-24cm3; (16)Surface Tension: 16.164 dyne/cm; (17)Density: 0.939 g/cm3; (18)Flash Point: 21.81 °C; (19)Melting Point: <0 °C; (20)Enthalpy of Vaporization: 33.647 kJ/mol; (21)Boiling Point: 112.451 °C at 760 mmHg; (22)Vapour Pressure: 25.642 mmHg at 25 °C.

Preparation of Triethyl(trifluoromethyl)silane: this chemical can be prepared by Chloro-triethyl-silane and Bromo-trifluoro-methane.



This reaction needs Hexaethylphosphorous triamide and CH2Cl2 at temperature of -78 °C. The reaction time is 2 hours. The yield is 69 %.

Uses of Triethyl(trifluoromethyl)silane: it can react with 2,6-Di-tert-butyl-[1,4]benzoquinone to get 2,6-Di-tert-butyl-4-(triethylsiloxy)-4-(trifluoromethyl)-2,5-cyclohexadien-1-one.



This reaction needs Potassium fluoride and Acetonitrile at ambient temperature. The reaction time is 1 hour. The yield is 70 %.

When you are using this chemical, please be cautious about it as the following: Triethyl(trifluoromethyl)silane is highly flammable. Please keep away from sources of ignition. And you should avoid contact with skin and eyes. Moreover, please do not breathe vapour.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC[Si](CC)(CC)C(F)(F)F
(2)InChI:InChI=1/C7H15F3Si/c1-4-11(5-2,6-3)7(8,9)10/h4-6H2,1-3H3
(3)InChIKey:ZHSKFONQCREGOG-UHFFFAOYAW
(4)Std. InChI:InChI=1S/C7H15F3Si/c1-4-11(5-2,6-3)7(8,9)10/h4-6H2,1-3H3
(5)Std. InChIKey:ZHSKFONQCREGOG-UHFFFAOYSA-N

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