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| CAS No.: | 37669-78-6 |
|---|---|
| Name: | Ethyl 2,4-dimethylpyridine-3-carboxylate |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C10H13NO2 |
| Molecular Weight: | 179.219 |
| Synonyms: | Ethyl 2,4-dimethylnicotinate;2,4-Dimethylpyridine-3-carboxylic acid ethyl ester;Ethyl-2,4-dimethylpyridine-3-carboxylate; |
| Density: | 1.056 g/cm3 |
| Boiling Point: | 237.5 °C at 760 mmHg |
| Flash Point: | 97.4 °C |
| Solubility: | Slightly soluble in water. |
| Safety: | 24/25 |
| PSA: | 39.19000 |
| LogP: | 1.87510 |
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Specification
The Ethyl 2,4-dimethylpyridine-3-carboxylate, with the CAS registry number 37669-78-6, is also called 3-pyridinecarboxylic acid, 2,4-dimethyl-, ethyl ester. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C10H13NO2. What's more, it should avoid contact with skin and eyes.
The characteristics of Ethyl 2,4-dimethylpyridine-3-carboxylate are as followings: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.506; (8)Molar Refractivity: 50.4 cm3; (9)Molar Volume: 169.6 cm3; (10)Polarizability: 19.98×10-24cm3; (11)Surface Tension: 38 dyne/cm; (12)Density: 1.056 g/cm3; (13)Flash Point: 97.4 °C; (14)Enthalpy of Vaporization: 47.43 kJ/mol; (15)Boiling Point: 237.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0447 mmHg at 25°C.
Uses of Ethyl 2,4-dimethylpyridine-3-carboxylate: It can be used to produce 2,4-dimethyl-nicotinic acid. And the yield is about 77%.
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Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)c1c(ccnc1C)C
(2)InChI: InChI=1/C10H13NO2/c1-4-13-10(12)9-7(2)5-6-11-8(9)3/h5-6H,4H2,1-3H3
(3)InChIKey: DIZHKKYVLBSXAW-UHFFFAOYAA