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145545-43-3

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Basic Information
CAS No.: 145545-43-3
Name: TERT-BUTYLDIPHENYLSILYL CYANIDE
Article Data: 1
Molecular Structure:
Molecular Structure of 145545-43-3 (TERT-BUTYLDIPHENYLSILYL CYANIDE)
Formula: C17H19NSi
Molecular Weight: 265.43
Synonyms: tert-Butyldiphenylsilylnitrile;
Density: 1.01 g/cm3
Boiling Point: 355.6 °C at 760 mmHg
Flash Point: 168.9 °C
Hazard Symbols: ToxicT
Risk Codes: 23/24/25
Safety: 36/37/39-45
PSA: 23.79000
LogP: 3.11248
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Specification

The tert-Butyl(diphenyl)silanecarbonitrile, with the CAS registry number 145545-43-3, is also known as tert-Butyl-cyano-diphenylsilane. This chemical's molecular formula is C17H19NSi and molecular weight is 265.425. Its systematic name is called tert-butyl(diphenyl)silanecarbonitrile.

Physical properties of tert-Butyl(diphenyl)silanecarbonitrile: (1)ACD/LogP: 5.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.74; (4)ACD/LogD (pH 7.4): 5.74; (5)ACD/BCF (pH 5.5): 13515.26; (6)ACD/BCF (pH 7.4): 13515.26; (7)ACD/KOC (pH 5.5): 31508.82; (8)ACD/KOC (pH 7.4): 31508.82; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 83.31 cm3; (13)Molar Volume: 262 cm3; (14)Surface Tension: 36.3 dyne/cm; (15)Density: 1.01 g/cm3; (16)Flash Point: 168.9 °C; (17)Enthalpy of Vaporization: 60.08 kJ/mol; (18)Boiling Point: 355.6 °C at 760 mmHg; (19)Vapour Pressure: 3.09E-05 mmHg at 25°C.

Uses of tert-Butyl(diphenyl)silanecarbonitrile: it can be used to produce 1-(tert-butyl-diphenyl-silanyloxy)-cyclooctanecarbonitrile at temperature of 25 °C. This reaction will need solvent CH2Cl2 with reaction time of 16 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low level can cause damage to health. It is toxic by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: N#C[Si](c1ccccc1)(c2ccccc2)C(C)(C)C
(2)InChI: InChI=1/C17H19NSi/c1-17(2,3)19(14-18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3
(3)InChIKey: ZJHNDMZEXWDAHA-UHFFFAOYAC