Name: 2-TRIMETHYLSILYL-1,2,3-TRIAZOLE
SKU: 13518-80-4

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Basic Information

Molecular Structure:
CAS No.:	13518-80-4
Name:	2-TRIMETHYLSILYL-1,2,3-TRIAZOLE
Article Data:	7

Formula:	C₅H₁₁N₃Si
Molecular Weight:	141.248
Synonyms:	2-(Trimethylsilyl)-1,2,3-triazole;2-(Trimethylsilyl)-2H-1,2,3-triazole;AURORA KA-4379;N-Trimethylsilyl-1,2,3-triazole;
Density:	1 g/cm³
Melting Point:	148 °C
Boiling Point:	118.3 °C at 760 mmHg
Flash Point:	25.3 °C
Hazard Symbols:	F
Risk Codes:	10
Safety:	3/7/9-16-29-33
PSA:	30.71000
LogP:	0.96110

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Specification

The CAS register number of 2H-1,2,3-Triazole,2-(trimethylsilyl)- is 13518-80-4. It also can be called as N-Trimethylsilyl-1,2,3-triazole and the systematic name about this chemical is 2-(trimethylsilyl)-2H-1,2,3-triazole. The molecular formula about this chemical is C₅H₁₁N₃Si and the molecular weight is 141.25.

Physical properties about 2H-1,2,3-Triazole,2-(trimethylsilyl)- are: (1)ACD/LogP: 0.95; (2)ACD/LogD (pH 5.5): 0.95; (3)ACD/LogD (pH 7.4): 0.95; (4)ACD/BCF (pH 5.5): 3.08; (5)ACD/BCF (pH 7.4): 3.08; (6)ACD/KOC (pH 5.5): 77.75; (7)ACD/KOC (pH 7.4): 77.93; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.71 Å²; (11)Index of Refraction: 1.502; (12)Molar Refractivity: 41.68 cm³; (13)Molar Volume: 141 cm³; (14)Polarizability: 16.52x10^-24cm³; (15)Surface Tension: 25.7 dyne/cm; (16)Density: 1 g/cm³; (17)Flash Point: 25.3 °C; (18)Enthalpy of Vaporization: 35.65 kJ/mol; (19)Boiling Point: 118.3 °C at 760 mmHg; (20)Vapour Pressure: 16.8 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1H-[1,2,3]triazole and chloro-trimethyl-silane. This reaction will need reagent of Et₃N and solvent of benzene. The reaction time is 24 hours with ambient temperature.

2H-1,2,3-Triazole,2-(trimethylsilyl)- can be prepared by 1H-[1,2,3]triazole and chloro-trimethyl-silane.

Uses of 2H-1,2,3-Triazole,2-(trimethylsilyl)-: it can be used to produce 2-adamantan-1-yl-oxazole with adamantane-1-carbonyl chloride. This reaction will need solvent of tetrahydrothiophene 1,1-dioxide. The reaction time is 2 hours with reaction temperature of 150 °C. The yield is about 73%.

2H-1,2,3-Triazole,2-(trimethylsilyl)- can be used to produce 2-adamantan-1-yl-oxazole with adamantane-1-carbonyl chloride.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. Therefore, if you want to use this chemical, keep container tightly closed in a well-ventilated, cool place and keep away from sources of ignition. This chemical may catch fire if in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. When you are using it, do not empty into drains and take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccnn1[Si](C)(C)C
(2)InChI: InChI=1/C5H11N3Si/c1-9(2,3)8-6-4-5-7-8/h4-5H,1-3H3
(3)InChIKey: DSPOVSQQYMUIGB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H11N3Si/c1-9(2,3)8-6-4-5-7-8/h4-5H,1-3H3
(5)Std. InChIKey: DSPOVSQQYMUIGB-UHFFFAOYSA-N