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CAS No.: | 87674-09-7 |
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Name: | 3-FLUORO-2-TRIMETHYLSILANYL-PYRIDINE |
Molecular Structure: | |
Formula: | C8H12FNSi |
Molecular Weight: | 169.274 |
Synonyms: | 3-FLUORO-2-TRIMETHYLSILANYL-PYRIDINE;3-Fluoro-2-(trimethylsilyl)pyridine |
Density: | 0.98 g/cm3 |
Boiling Point: | 169.8 °C at 760 mmHg |
Flash Point: | 56.5 °C |
Hazard Symbols: | Xn,Xi |
PSA: | 12.89000 |
LogP: | 1.76590 |
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This chemical is called 3-Fluoro-2-(trimethylsilyl)pyridine, and it can also be named as 3-Fluoro-2-trimethylsilanyl-pyridine. With the molecular formula of C8H12FNSi, its molecular weight is 169.27. The CAS registry number of this chemical is 87674-09-7. Additionally, its product category is Pyridine.
Other characteristics of the 3-Fluoro-2-(trimethylsilyl)pyridine can be summarised as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 171.36; (6)ACD/BCF (pH 7.4): 179.71; (7)ACD/KOC (pH 5.5): 1363.59; (8)ACD/KOC (pH 7.4): 1430.05; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 47.3 cm3; (15)Molar Volume: 172.6 cm3; (16)Polarizability: 18.75×10-24cm3; (17)Surface Tension: 25.1 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 56.5 °C; (20)Enthalpy of Vaporization: 38.95 kJ/mol; (21)Boiling Point: 169.8 °C at 760 mmHg; (22)Vapour Pressure: 2.01 mmHg at 25°C.
Production method of this chemical: The 3-Fluoro-2-(trimethylsilyl)pyridine could be obtained by the reactants of 3-fluoro-pyridine and chloro-trimethyl-silane. This reaction needs the reagents of n-BuLi, TMEDA, and the solvent of diethyl ether. The yield is 68 %. In addition, this reaction should be taken for 0.5 hours at the temperature of -40 °C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cccnc1[Si](C)(C)C
2.InChI: InChI=1/C8H12FNSi/c1-11(2,3)8-7(9)5-4-6-10-8/h4-6H,1-3H3
3.InChIKey: PLAVGOMINOBWRI-UHFFFAOYAR