-
Name
5-HYDROXY-NICOTINIC ACID ETHYL ESTER
- EINECS
- CAS No. 59288-38-9
- Article Data8
- CAS DataBase
- Density 1.233 g/cm3
- Solubility
- Melting Point
- Formula C8H9NO3
- Boiling Point 375.4 °C at 760 mmHg
- Molecular Weight 167.164
- Flash Point 180.8 °C
- Transport Information
- Appearance
- Safety 26-37/39
- Risk Codes 20/21/22-36/37/38
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-Hydroxynicotinicacid ethyl ester;Ethyl 5-hydroxynicotinate;
- PSA 59.42000
- LogP 0.96390
3-Pyridinecarboxylicacid, 5-hydroxy-, ethyl ester Specification
The 3-Pyridinecarboxylicacid, 5-hydroxy-, ethyl ester, with the CAS registry number of 59288-38-9, is also known as Ethyl 5-hydroxynicotinate and 5-Hydroxynicotinicacid ethyl ester. This chemical's molecular formula is C8H9NO3 and molecular weight is 167.162. What's more, its systematic name is called ethyl 5-Hydroxypyridine-3-carboxylate.
Physical properties about 3-Pyridinecarboxylicacid, 5-hydroxy-, ethyl ester are: (1)ACD/LogP: 1.76; (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: 48.42 Å2; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 42.63 cm3; (9)Molar Volume: 135.4 cm3; (10)Surface Tension: 50.4 dyne/cm; (11)Density: 1.233 g/cm3; (12)Flash Point: 180.8 °C; (13)Enthalpy of Vaporization: 64.73 kJ/mol; (14)Boiling Point: 375.4 °C at 760 mmHg; (15)Vapour Pressure: 3.61E-06 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 5-Hydroxynicotinic acid hydrazide by heating. This reaction needs reagent 50 % Hydrazine hydrate. The reaction time is 1 hour. The yield is about 72 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cncc(O)c1
(2) InChI: InChI=1/C8H9NO3/c1-2-12-8(11)6-3-7(10)5-9-4-6/h3-5,10H,2H2,1H3
(3) InChIKey: LFDNUOROKFFJLE-UHFFFAOYAU
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