TERT-BUTYLDIMETHYLSILYL CYANIDE

The CAS register number of Silanecarbonitrile,(1,1-dimethylethyl)dimethyl- is 56522-24-8. It also can be called as tert-butylcyanodimethylsilane and the systematic name about this chemical is tert-butyl(dimethyl)silanecarbonitrile. The molecular formula about this chemical is C₇H₁₅NSi and the molecular weight is 141.29.

Physical properties about Silanecarbonitrile,(1,1-dimethylethyl)dimethyl- are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 29.34; (5)ACD/BCF (pH 7.4): 29.34; (6)ACD/KOC (pH 5.5): 390.84; (7)ACD/KOC (pH 7.4): 390.84; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 23.79Ų; (11)Index of Refraction: 1.411; (12)Molar Refractivity: 43.07 cm³; (13)Molar Volume: 173.2 cm³; (14)Polarizability: 17.07x10^-24cm³; (15)Surface Tension: 21.5 dyne/cm; (16)Flash Point: 54.5 °C; (17)Enthalpy of Vaporization: 40.29 kJ/mol; (18)Boiling Point: 166.4 °C at 760 mmHg; (19)Vapour Pressure: 1.78 mmHg at 25°C.

Preparation: this chemical can be prepared by tert-butyl-chloro-dimethyl-silane and lithium cyanide at heating. This reaction will need solvent toluene, hexane. The yield is about 69%.

Uses of Silanecarbonitrile,(1,1-dimethylethyl)dimethyl-: it can be used to produce t-Butyldimethysilyl-(2-methyl-cyclohexen-(1)-yl)-aether with 1,2-epoxy-1-methyl-cyclohexane at heating. This reaction will need reagent zinc iodide and solvent CH₂Cl₂ with reaction time of 48 hour(s). The yield is about 63%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. When you are using it, 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 whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: N#C[Si](C(C)(C)C)(C)C
(2)InChI: InChI=1/C7H15NSi/c1-7(2,3)9(4,5)6-8/h1-5H3
(3)InChIKey: CWAKIXKDPQTVTA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H15NSi/c1-7(2,3)9(4,5)6-8/h1-5H3
(5)Std. InChIKey: CWAKIXKDPQTVTA-UHFFFAOYSA-N