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| CAS No.: | 18342-97-7 |
|---|---|
| Name: | 3-Hydroxypyridine-4-carboxylic acid ethyl ester |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C8H9NO3 |
| Molecular Weight: | 167.16196 |
| Synonyms: | 3-Hydroxypyridine-4-carboxylic acid ethyl ester; |
| Density: | 1.234 g/cm3 |
| Melting Point: | 35 °C |
| Boiling Point: | 321.943 °C at 760 mmHg |
| Flash Point: | 148.506 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 41-22 |
| Safety: | 26-39-36/37 |
| PSA: | 59.42000 |
| LogP: | 0.96390 |
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- Total:28 Page 1 of 1 1
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Specification
The Ethyl 3-hydroxyisonicotinate, with the CAS registry number 18342-97-7, is also known as 3-Hydroxypyridine-4-carboxylic acid ethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H9NO3 and molecular weight is 167.16196. What's more, its systematic name is Ethyl 3-hydroxypyridine-4-carboxylate.
Physical properties about Ethyl 3-hydroxyisonicotinate are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 59.42 Å2; (7)Index of Refraction: 1.542; (8)Molar Refractivity: 42.632 cm3; (9)Molar Volume: 135.487 cm3; (10)Polarizability: 16.901×10-24 cm3; (11)Surface Tension: 50.44 dyne/cm; (12)Density: 1.234 g/cm3; (13)Flash Point: 148.506 °C; (14)Enthalpy of Vaporization: 58.617 kJ/mol; (15)Boiling Point: 321.943 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of Ethyl 3-hydroxyisonicotinate: this chemical is prepared by reaction of 3-Hydroxy-isonicotinic acid with Ethanol by heating. The reaction needs reagent 98percent H2SO4 and solvent Benzene. The reaction time is 48 hours. The yield is about 83 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccncc1O
(2) InChI: InChI=1/C8H9NO3/c1-2-12-8(11)6-3-4-9-5-7(6)10/h3-5,10H,2H2,1H3
(3) InChIKey: XIBQCRQYVCFUFO-UHFFFAOYAD