Azidotrimethylsilane

The IUPAC name of Trimethylsilyl azide is azido(trimethyl)silane. With the CAS registry number 4648-54-8, it is also named as Azidotrimethylsilane. The product's categories are Si (Classes of Silicon Compounds); Silicon Compounds (for Synthesis); Si-N Compounds; Synthetic Organic Chemistry; Trimethylsilylazide, etc., and the other registry number is 150059-64-6. Besides, it is clear colorless to slightly yellow liquid, which should be stored in dark, sealed, ventilated and dry place. In addition, its molecular formula is C₃H₉N₃Si and molecular weight is 115.21.

The other characteristics of this product can be summarized as: (1)EINECS: 225-078-5; (2)ACD/LogP: 0.65; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.65; (5)ACD/LogD (pH 7.4): 0.65; (6)ACD/BCF (pH 5.5): 1.82; (7)ACD/BCF (pH 7.4): 1.82; (8)ACD/KOC (pH 5.5): 53.49; (9)ACD/KOC (pH 7.4): 53.49; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 12.36 Å²; (14)Density: 0.876 g/mL at 20 °C; (15)Boiling point: 95-96 °C; (16)Refractive index: 1.4142-1.4162; (17)Flash point: 6 °C; (18)Melting Point: -95 °C.

Preparation and Uses of Trimethylsilyl azide: this chemical can be prepared by the reaction of Trimethylsilyl chloride and Sodium azide:
TMSCl + NaN₃ → TMSN₃ + NaCl (TMS = (CH₃)₃Si)
Additionally, it is used as a safer replacement for hydrazoic acid in many reactions. It also can be used in the Oseltamivir total synthesis.

When you are using this chemical, please be cautious about it as the following: it is highly flammable, so please keep away from sources of ignition. Moreover, it would liberate toxic gas in contact with water. Please keep container dry. It is also toxic by inhalation, in contact with skin and if swallowed. You should wear suitable protective clothing, gloves and eye/face protection. Furthermore, it is toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. Please do not empty into drains, and used appropriate container to avoid environmental contamination. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: [N-]=[N+]=N/[Si](C)(C)C
(2)InChI: InChI=1/C3H9N3Si/c1-7(2,3)6-5-4/h1-3H3
(3)InChIKey: SEDZOYHHAIAQIW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C3H9N3Si/c1-7(2,3)6-5-4/h1-3H3
(5)Std. InChIKey: SEDZOYHHAIAQIW-UHFFFAOYSA-N