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| CAS No.: | 994-79-6 |
|---|---|
| Name: | TETRA-N-BUTYLSILANE |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C16H36Si |
| Molecular Weight: | 256.547 |
| Synonyms: | Tetrabutylsilane; |
| EINECS: | 213-621-9 |
| Density: | 0.781 g/cm3 |
| Melting Point: | -56°C |
| Boiling Point: | 296.6 °C at 760 mmHg |
| Flash Point: | 119.1 °C |
| Safety: | 23-24/25 |
| PSA: | 0.00000 |
| LogP: | 6.63560 |
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Specification
The Silane, tetrabutyl-, with the CAS registry number 994-79-6 and EINECS registry number 213-621-9, has the systematic name of tetrabutylsilane. And the molecular formula of the chemical is C16H36Si. What's more, while dealing with this chemical, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.
The characteristics of Silane, tetrabutyl- are as followings: (1)ACD/LogP: 9.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.21; (4)ACD/LogD (pH 7.4): 9.21; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2446969; (8)ACD/KOC (pH 7.4): 2446969; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 84.89 cm3; (15)Molar Volume: 328.3 cm3; (16)Polarizability: 33.65×10-24cm3; (17)Surface Tension: 24.1 dyne/cm; (18)Density: 0.781 g/cm3; (19)Flash Point: 119.1 °C; (20)Enthalpy of Vaporization: 51.5 kJ/mol; (21)Boiling Point: 296.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0025 mmHg at 25°C.
Uses of Silane, tetrabutyl-: It can react with benzene-1,2,4,5-tetracarbonitrile to produce 5-butylbenzene-1,2,4-tricarbonitrile. This reaction will need reagent acetonitrile, and the yield is about 74%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCC[Si](CCCC)(CCCC)CCCC
(2)InChI: InChI=1/C16H36Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3
(3)InChIKey: REWDXIKKFOQRID-UHFFFAOYAN