3-Pyridinecarboxylicacid, 5-chloro-1,6-dihydro-4-hydroxy-6-oxo-, ethyl ester supplier

Name
5-Chloro-4,6-dihydroxynicotinic acid ethyl ester
EINECS
CAS No. 846541-71-7
Article Data2
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point
Formula C₈H₈ClNO₄
Boiling Point 323.5 °C at 760 mmHg
Molecular Weight 217.609
Flash Point 149.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinicacid, 5-chloro-4,6-dihydroxy-, ethyl ester (5CI);5-Chloro-4,6-dihydroxynicotinicacid ethyl ester;Ethyl 5-chloro-6-hydroxy-4-oxo-1,4-dihydropyridine-3-carboxylate;5-Chloro-4,6-dihydroxypyridine-3-carboxylic acid ethyl ester;Ethyl 5-chloro-4,6-dihydroxypyridine-3-carboxylate;
PSA 79.65000
LogP 1.32290

3-Pyridinecarboxylicacid, 5-chloro-1,6-dihydro-4-hydroxy-6-oxo-, ethyl ester Specification

The 3-Pyridinecarboxylicacid, 5-chloro-1,6-dihydro-4-hydroxy-6-oxo-, ethyl ester, with the CAS registry number 846541-71-7, is also known as 5-Chloro-4,6-dihydroxypyridine-3-carboxylic acid ethyl ester. It belongs to the product category of Pyridines. This chemical's molecular formula is C₈H₈ClNO₄ and molecular weight is 217.61. What's more, its systematic name is ethyl 5-chloro-6-hydroxy-4-oxo-1,4-dihydropyridine-3-carboxylate.

Physical properties of 3-Pyridinecarboxylicacid, 5-chloro-1,6-dihydro-4-hydroxy-6-oxo-, ethyl ester are: (1)ACD/LogP: -0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 55.84 Å²; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 48.16 cm³; (13)Molar Volume: 146 cm³; (14)Polarizability: 19.09×10^-24cm³; (15)Surface Tension: 56.1 dyne/cm; (16)Density: 1.49 g/cm³; (17)Flash Point: 149.4 °C; (18)Enthalpy of Vaporization: 65.53 kJ/mol; (19)Boiling Point: 323.5 °C at 760 mmHg; (20)Vapour Pressure: 2.05E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C(=C/NC(/O)=C1/Cl)C(=O)OCC
(2)InChI: InChI=1S/C8H8ClNO4/c1-2-14-8(13)4-3-10-7(12)5(9)6(4)11/h3H,2H2,1H3,(H2,10,11,12)
(3)InChIKey: SEFFUTOCCLZPNV-UHFFFAOYSA-N

Product Name

5-Chloro-4,6-dihydroxynicotinic acid ethyl ester

3-Pyridinecarboxylicacid, 5-chloro-1,6-dihydro-4-hydroxy-6-oxo-, ethyl ester Specification

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