Tetrabutyl orthosilicate

The Tetrabutyl orthosilicate, with CAS registry number 4766-57-8, belongs to the following product categories: (1)Si (Classes of Silicon Compounds); (2)Si-O Compounds; (3)Tetraalkoxysilanes; (4)Crosslinkers; (5)Crosslinking Agents; (6)Orthosilicate. It has the systematic name of tetrabutyl orthosilicate. This chemical is a kind of colorless transparent liquid. The main use of this chemical is for organic reagent and pharmaceutical intermediates. What's more, its EINECS is 225-305-8.

Physical properties of Tetrabutyl orthosilicate: (1)ACD/LogP: 9.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.35; (4)ACD/LogD (pH 7.4): 9.35; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2907952.25; (8)ACD/KOC (pH 7.4): 2907952.25; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 36.92 Å ²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 91.87 cm³; (15)Molar Volume: 353.8 cm³; (16)Polarizability: 36.42×10^-24cm³; (17)Surface Tension: 26.9 dyne/cm; (18)Density: 0.905 g/cm³; (19)Flash Point: 78.9 °C; (20)Enthalpy of Vaporization: 49.28 kJ/mol; (21)Boiling Point: 275 °C at 760 mmHg; (22)Vapour Pressure: 0.00877 mmHg at 25°C.

Preparation: this chemical can be prepared by butan-1-ol. This reaction will need reagent SiCl₄.

When you are using this chemical, please be cautious about it as the following:
The Tetrabutyl orthosilicate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O(CCCC)[Si](OCCCC)(OCCCC)OCCCC
(2)InChI: InChI=1/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3
(3)InChIKey: UQMOLLPKNHFRAC-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3
(5)Std. InChIKey: UQMOLLPKNHFRAC-UHFFFAOYSA-N