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Allyltriisopropylsilane

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Name

Allyltriisopropylsilane

EINECS N/A
CAS No. 24400-84-8 Density 0.767 g/cm3
PSA 0.00000 LogP 4.85120
Solubility N/A Melting Point < 0 °C
Formula C12H26Si Boiling Point 210.7 °C at 760 mmHg
Molecular Weight 198.424 Flash Point 76.1 °C
Transport Information N/A Appearance colorless transparent liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 24400-84-8 (ALLYLTRIISOPROPYLSILANE) Hazard Symbols IrritantXi
Synonyms

Silane,allyltriisopropyl- (8CI);Silane, tris(1-methylethyl)-2-propenyl- (9CI);Allyltriisopropylsilane;Triisopropyl(2-propenyl)silane;

Article Data 10

Allyltriisopropylsilane Specification

The IUPAC name of Allyltriisopropylsilane is tri(propan-2-yl)-prop-2-enylsilane. With the CAS registry number 24400-84-8, it is also named as Silane,tris(1-methylethyl)-2-propen-1-yl-. The product's categories are Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Synthetic Organic Chemistry; Organometallic Reagents; Organosilicon; Others. Besides, it is colorless transparent liquid, which should be stored in a sealed and cool place. In addition, its molecular formula is C12H26Si and molecular weight is 198.42.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.03; (4)ACD/LogD (pH 7.4): 6.03; (5)ACD/BCF (pH 5.5): 22346.17; (6)ACD/BCF (pH 7.4): 22346.17; (7)ACD/KOC (pH 5.5): 45159.08; (8)ACD/KOC (pH 7.4): 45159.08; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 65.96 cm3; (15)Molar Volume: 258.5 cm3; (16)Polarizability: 26.14×10-24cm3; (17)Surface Tension: 20.4 dyne/cm; (18)Density: 0.767 g/cm3; (19)Flash Point: 76.1 °C; (20)Melting Point: < 0 °C; (21)Enthalpy of Vaporization: 42.88 kJ/mol; (22)Boiling Point: 210.7 °C at 760 mmHg; (23)Vapour Pressure: 0.274 mmHg at 25 °C.

Preparation of Allyltriisopropylsilane: this chemical can be prepared by the reaction of allylmagnesium chloride with triisopropylsilyl trifluorometanesulfonate.



This reaction needs tetrahydrofuran at ambient temperature for 5 hours. The yield is 96 %.

Uses of Allyltriisopropylsilane: it is used as surface treatment of glass. Additionally, it can react with (R)-p-menth-4(8)-en-3-one to get 1,1,8-trimethyl-3-triisopropylsilanyl-spiro[4.5]decan-6-one.



This reaction needs TiCl4 and CH2Cl2 at temperature of -78 - -20 °C. The yield is 97 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)[Si](CC=C)(C(C)C)C(C)C
(2)InChI: InChI=1S/C12H26Si/c1-8-9-13(10(2)3,11(4)5)12(6)7/h8,10-12H,1,9H2,2-7H3
(3)InChIKey: AKQHUJRZKBYZLC-UHFFFAOYSA-N 

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