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Ethyl 3-hydroxyisonicotinate

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Name

Ethyl 3-hydroxyisonicotinate

EINECS N/A
CAS No. 18342-97-7 Density 1.234 g/cm3
PSA 59.42000 LogP 0.96390
Solubility N/A Melting Point 35 °C
Formula C8H9NO3 Boiling Point 321.943 °C at 760 mmHg
Molecular Weight 167.16196 Flash Point 148.506 °C
Transport Information N/A Appearance N/A
Safety 26-39-36/37 Risk Codes 41-22
Molecular Structure Molecular Structure of 18342-97-7 (3-Hydroxypyridine-4-carboxylic acid ethyl ester) Hazard Symbols Xi
Synonyms

3-Hydroxypyridine-4-carboxylic acid ethyl ester;

Article Data 16

Ethyl 3-hydroxyisonicotinate 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 %.

The Ethyl 3-hydroxyisonicotinate can be obtained by 3-Hydroxy-isonicotinic acid and Ethanol.

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

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