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| CAS No.: | 935-28-4 |
|---|---|
| Name: | 2,6-diethylpyridine |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C9H13N |
| Molecular Weight: | 135.209 |
| Synonyms: | 2,6-Diethylpyridine; |
| Density: | 0.911 g/cm3 |
| Melting Point: | 31.33°C (estimate) |
| Boiling Point: | 176.6 °C at 760 mmHg |
| Flash Point: | 54.5 °C |
| PSA: | 12.89000 |
| LogP: | 2.20640 |
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Specification
The Pyridine, 2,6-diethyl- with the CAS registry number 935-28-4, has the systematic name and IUPAC name of 2,6-diethylpyridine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H13N.
The characteristics of Pyridine, 2,6-diethyl- are as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 5.58; (6)ACD/BCF (pH 7.4): 58.9; (7)ACD/KOC (pH 5.5): 58.63; (8)ACD/KOC (pH 7.4): 619.41; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 43.44 cm3; (15)Molar Volume: 148.2 cm3; (16)Polarizability: 17.22×10-24cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 0.911 g/cm3; (19)Flash Point: 54.5 °C; (20)Enthalpy of Vaporization: 39.6 kJ/mol; (21)Boiling Point: 176.6 °C at 760 mmHg; (22)Vapour Pressure: 1.46 mmHg at 25°C.
Preparation of Pyridine, 2,6-diethyl-: This chemical can be prepared by 2,6-dichloro-pyridine and ethylmagnesium bromide. The reaction will need reagent NiCl2, and the yield is about 50%.
Uses of Pyridine, 2,6-diethyl-: It can be used to produce 5-allyloxy-2-phenyl-[1,3]dioxane. This reaction will need reagent NaBH4, and the menstruum methanol. The reaction time is 84 hours with temperature of 20°C, and the yield is about 50%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c(cccc1CC)CC
(2)InChI: InChI=1/C9H13N/c1-3-8-6-5-7-9(4-2)10-8/h5-7H,3-4H2,1-2H3
(3)InChIKey: WHTDCOSHHMXZNE-UHFFFAOYAL