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| CAS No.: | 20815-29-6 |
|---|---|
| Name: | 3-METHYL-4-ETHYL PYRIDINE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C8H11N |
| Molecular Weight: | 121.182 |
| Synonyms: | 3-Picoline,4-ethyl- (7CI,8CI);3-Methyl-4-ethylpyridine;4-Ethyl-3-methylpyridine;4-Ethyl-3-picoline; |
| EINECS: | 244-057-1 |
| Density: | 0.919 g/cm3 |
| Boiling Point: | 194.7 °C at 760 mmHg |
| Flash Point: | 69.5 °C |
| PSA: | 12.89000 |
| LogP: | 1.95240 |
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- Total:4 Page 1 of 1 1
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Specification
The Pyridine, 4-ethyl-3-methyl-, with the CAS registry number 20815-29-6, is also known as 3-Picoline, 4-ethyl-. Its EINECS registry number is 244-057-1. This chemical's molecular formula is C8H11N and molecular weight is 121.18. What's more, its IUPAC name is 4-Ethyl-3-methylpyridine.
Physical properties about Pyridine, 4-ethyl-3-methyl- are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 3.53; (6)ACD/BCF (pH 7.4): 24.54; (7)ACD/KOC (pH 5.5): 48.3; (8)ACD/KOC (pH 7.4): 336.15; (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: 1.499; (14)Molar Refractivity: 38.71 cm3; (15)Molar Volume: 131.7 cm3; (16)Polarizability: 15.34×10-24 cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.919 g/cm3; (19)Flash Point: 69.5 °C; (20)Enthalpy of Vaporization: 41.33 kJ/mol; (21)Boiling Point: 194.7 °C at 760 mmHg; (22)Vapour Pressure: 0.608 mmHg at 25 °C.
Preparation of Pyridine, 4-ethyl-3-methyl-: this chemical is prepared by 1-(2, 5-Dimethyl-pyrrol-1-yl)-4-ethyl-3-methyl-1, 4-dihydro-pyridine. The reaction needs reagent Azo-bis-isobutyronitrile and solvent Tetrahydrofuran. The reaction time is 24 hours. The yield is about 77 %.
Uses of Pyridine, 4-ethyl-3-methyl-: it is used to produce other chemicals. For example, it is used to produce 2, 5-Dibromo-4-ethyl-3-methyl-pyridine. This reaction needs reagents 65 % Oleum and Br2. The reaction temperature is 70-80 °C. The yield is about 60 %.
You can still convert the following datas into molecular structure:
(1) SMILES: n1ccc(c(c1)C)CC
(2) InChI: InChI=1/C8H11N/c1-3-8-4-5-9-6-7(8)2/h4-6H,3H2,1-2H3
(3) InChIKey: NJQZTGGQYUUYKS-UHFFFAOYAX