3-Pyridinecarboxylicacid, 5-cyano-, ethyl ester supplier

Name
5-CYANOPYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 90417-31-5
Article Data7
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point 283.8 °C at 760 mmHg
Molecular Weight 176.17
Flash Point 125.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 5-cyanonicotinate;
PSA 62.98000
LogP 1.12998

3-Pyridinecarboxylicacid, 5-cyano-, ethyl ester Specification

The 3-Pyridinecarboxylicacid, 5-cyano-, ethyl ester, with the CAS registry number 90417-31-5, is also known as Ethyl 5-cyanonicotinate. This chemical's molecular formula is C₉H₈N₂O₂ and molecular weight is 176.17. Its systematic name is called ethyl 5-cyanopyridine-3-carboxylate.

Physical properties of 3-Pyridinecarboxylicacid, 5-cyano-, ethyl ester: (1)ACD/LogP: 1.37; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.528; (5)Molar Refractivity: 44.86 cm³; (6)Molar Volume: 145.5 cm³; (7)Surface Tension: 52.8 dyne/cm; (8)Density: 1.21 g/cm³; (9)Flash Point: 125.4 °C; (10)Enthalpy of Vaporization: 52.27 kJ/mol; (11)Boiling Point: 283.8 °C at 760 mmHg; (12)Vapour Pressure: 0.0031 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(C(=O)OCC)cnc1
(2)InChI: InChI=1/C9H8N2O2/c1-2-13-9(12)8-3-7(4-10)5-11-6-8/h3,5-6H,2H2,1H3
(3)InChIKey: PQINZTXTQYRDBV-UHFFFAOYAX

Product Name

5-CYANOPYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER

3-Pyridinecarboxylicacid, 5-cyano-, ethyl ester Specification

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