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56522-24-8

Basic Information
CAS No.: 56522-24-8
Name: TERT-BUTYLDIMETHYLSILYL CYANIDE
Article Data: 8
Molecular Structure:
Molecular Structure of 56522-24-8 (TERT-BUTYLDIMETHYLSILYL CYANIDE)
Formula: C7H15NSi
Molecular Weight: 141.288
Synonyms: (1,1-Dimethylethyl)dimethylsilanecarbonitrile;tert-Butylcyanodimethylsilane;tert-Butyldimethylsilyl cyanide;tert-Butyldimethylsilylnitrile;
Density: 0.815 g/cm3
Melting Point: 76-79 °C(lit.)
Boiling Point: 166.4 °C at 760 mmHg
Flash Point: 54.5 °C
Hazard Symbols: ToxicT
Risk Codes: 23/24/25
Safety: 36/37/39-45
Transport Information: UN 2811 6.1/PG 1
PSA: 23.79000
LogP: 2.55768
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Specification

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: 23.79Å2; (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