1-(TRIMETHYLSILYL)-1H-BENZOTRIAZOLE

The 1H-Benzotriazole, 1-(trimethylsilyl)-, with the CAS registry number of 43183-36-4, is also known as 1-Trimethylsilylbenzotriazole. It belongs to the product categories of Si (Classes of Silicon Compounds); Si-N Compounds; Trimethylsilylazide, etc.; Others; Protecting and Derivatizing Reagents; Protection and Derivatization. This chemical's molecular formula is C₉H₁₃N₃Si and molecular weight is 191.31. What's more, its systematic name is called 1-(Trimethylsilyl)-1H-benzotriazole. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about 1H-Benzotriazole, 1-(trimethylsilyl)- are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.47; (6)ACD/BCF (pH 7.4): 55.47; (7)ACD/KOC (pH 5.5): 616.6; (8)ACD/KOC (pH 7.4): 616.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.71 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 57.57 cm³; (15)Molar Volume: 177.1 cm³; (16)Surface Tension: 30.7 dyne/cm; (17)Density: 1.07 g/cm³; (18)Flash Point: 105.6 °C; (19)Enthalpy of Vaporization: 48.83 kJ/mol; (20)Boiling Point: 251 °C at 760 mmHg; (21)Vapour Pressure: 0.0209 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 1H-Benzotriazole with 1, 1, 1, 3, 3, 3-Hexamethyl-disilazane by heating few hours. The reaction needs reagent H₂SO₄. The yield is about 92.7 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Benzyl-1H-benzotriazole. The reaction time is 10 hours with reaction temperature of 120 °C. The yield is about 95 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. 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 in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nn(c2ccccc12)[Si](C)(C)C
(2) InChI: InChI=1/C9H13N3Si/c1-13(2,3)12-9-7-5-4-6-8(9)10-11-12/h4-7H,1-3H3
(3) InChIKey: VHOLOZYRMQVHBK-UHFFFAOYAL