TRIMETHYLSILYL ISOCYANATE

The Silane, isocyanatotrimethyl-, with the CAS registry number 1118-02-1, is also known as Trimethylsilylisocyanate. It belongs to the product categories of Si (Classes of Silicon Compounds); Silicon Compounds (for Synthesis); Si-N Compounds; Synthetic Organic Chemistry; Trimethylsilylazide.. Its EINECS registry number is 214-256-8. This chemical's molecular formula is C₄H₉NOSi and molecular weight is 115.21. What's more, its IUPAC name is Isocyanato(trimethyl)silane. In addition, it must be stored in airtight containers and placed in a dry, cool place at 2-8 °C. Meanwhile, it should avoid contact with oxidant, acid, alkali, moisture, alcohol, amine.

Physical properties about Silane, isocyanatotrimethyl- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.96; (6)ACD/BCF (pH 7.4): 25.96; (7)ACD/KOC (pH 5.5): 358.08; (8)ACD/KOC (pH 7.4): 358.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Å²; (13)Index of Refraction: 1.41; (14)Molar Refractivity: 33.46 cm³; (15)Molar Volume: 135 cm³; (16)Polarizability: 13.26×10^-24 cm³; (17)Surface Tension: 20 dyne/cm; (18)Density: 0.85 g/cm³; (19)Flash Point: 5.7 °C; (20)Enthalpy of Vaporization: 31.72 kJ/mol; (21)Boiling Point: 91 °C at 760 mmHg; (22)Vapour Pressure: 62.1 mmHg at 25 °C.

Preparation of Silane, isocyanatotrimethyl-: this chemical is prepared by reaction of Sulfuric acid bis-trimethylsilanyl ester with Cyanic acid; potassium salt. The reaction needs reagent N-Methylpyrrolidon. The yield is about 91 %.

Uses of Silane, isocyanatotrimethyl-: it is used to produce other chemicals. For example, it is used to produce 4-Ethyl-benzoic acid amide. This reaction needs reagents AlCl₃ and HCl (gas). The reaction time is 1 hour with reaction temperature of 20 °C. The yield is about 82 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and respiratory system. In addition, this chemical is toxic by inhalation. Thus, the vapour of this chemical can not be breathed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, and it may catch fire on contacting with an ignition source.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C=N/[Si](C)(C)C
(2) InChI: InChI=1/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3
(3) InChIKey: NIZHERJWXFHGGU-UHFFFAOYAF