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96164-66-8

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Basic Information
CAS No.: 96164-66-8
Name: HEXYLTRIFLUOROSILANE
Molecular Structure:
Molecular Structure of 96164-66-8 (HEXYLTRIFLUOROSILANE)
Formula: C6H13F3Si
Molecular Weight: 170.25
Synonyms: Hexyltrifluorosilane;Trifluoro(hexyl)silane;
Density: 0.948 g/cm3
Melting Point: <0 °C
Boiling Point: 121.522 °C at 760 mmHg
Flash Point: 27.296 °C
Risk Codes: 11-34
Safety: 16-26-36/37/39
PSA: 0.00000
LogP: 3.41410
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Specification

The Silane, trifluorohexyl- is an organic compound with the formula C6H13F3Si. The systematic name of this chemical is trifluoro(hexyl)silane. With the CAS registry number 96164-66-8, it is also named as Trifluor(hexyl)silan.

Physical properties about Silane, trifluorohexyl- are: (1)ACD/LogP: 4.32; (2)ACD/LogD (pH 5.5): 6; (3)ACD/LogD (pH 7.4): 6; (4)ACD/BCF (pH 5.5): 23751; (5)ACD/BCF (pH 7.4): 23751; (6)ACD/KOC (pH 5.5): 47173; (7)ACD/KOC (pH 7.4): 47173; (8)#Freely Rotating Bonds: 5; (9)Index of Refraction: 1.354; (10)Molar Refractivity: 39.055 cm3; (11)Molar Volume: 179.656 cm3; (12)Polarizability: 15.482×10-24cm3; (13)Surface Tension: 15.864 dyne/cm; (14)Density: 0.948 g/cm3; (15)Flash Point: 27.296 °C; (16)Enthalpy of Vaporization: 34.471 kJ/mol; (17)Boiling Point: 121.522 °C at 760 mmHg; (18)Vapour Pressure: 17.451 mmHg at 25°C.

Uses of Silane, trifluorohexyl-: it can be used to produce 4-hexyl-benzaldehyde at temperature of 100 °C. This reaction is a kind of Alkylation. It will need reagent TBAF, catalyst Pd(PPh3)4 and solvent tetrahydrofuran with reaction time of 24 hours. The yield is about 61%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable. Please keep away from sources of ignition - No smoking. Besides, this chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: F[Si](F)(F)CCCCCC
(2)InChI: InChI=1/C6H13F3Si/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3
(3)InChIKey: BMUUWIABEKSTNE-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H13F3Si/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3
(5)Std. InChIKey: BMUUWIABEKSTNE-UHFFFAOYSA-N