(TRIMETHYLSILYL)ACETONITRILE

The Acetonitrile,2-(trimethylsilyl)-, with the CAS registry number 18293-53-3, is also known as (Cyanomethyl)trimethylsilane. Its EINECS registry number is 242-169-5. This chemical's molecular formula is C₅H₁₁NSi and molecular weight is 113.23. Its IUPAC name is called 2-trimethylsilylacetonitrile.

Physical properties of Acetonitrile,2-(trimethylsilyl)-: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 1.1; (3)ACD/LogD (pH 7.4): 1.1; (4)ACD/BCF (pH 5.5): 4.05; (5)ACD/BCF (pH 7.4): 4.05; (6)ACD/KOC (pH 5.5): 94.77; (7)ACD/KOC (pH 7.4): 94.77; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.398; (12)Molar Refractivity: 33.84 cm³; (13)Molar Volume: 140.1 cm³; (14)Surface Tension: 20.5 dyne/cm; (15)Density: 0.807 g/cm³; (16)Flash Point: 50 °C; (17)Enthalpy of Vaporization: 39.88 kJ/mol; (18)Boiling Point: 162.2 °C at 760 mmHg; (19)Vapour Pressure: 2.19 mmHg at 25°C.

Preparation: this chemical can be prepared by bromoacetonitrile and chloro-trimethyl-silane. This reaction will need reagent hexabutyltin, PdCl₂₂ and solvent 1,2,3,4-tetrahydro-naphthalene. The reaction time is 20 hours with reaction temperature of 80 °C. The yield is about 61%.

Uses of Acetonitrile,2-(trimethylsilyl)-: it can be used to produce 3-Trimethylsilyloxy-3-phenyl-propionitril by heating. This reaction will need reagent NaOH.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. 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)Canonical SMILES: C[Si](C)(C)CC#N
(2)InChI: InChI=1S/C5H11NSi/c1-7(2,3)5-4-6/h5H2,1-3H3
(3)InChIKey: WJKMUGYQMMXILX-UHFFFAOYSA-N