Ethyl 2-cyanopyridine-3-carboxylate supplier

Name
Ethyl 2-cyanopyridine-3-carboxylate
EINECS
CAS No. 75358-90-6
Article Data7
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point 35-40°C
Formula C₉H₈N₂O₂
Boiling Point 327.9 °C at 760 mmHg
Molecular Weight 176.17
Flash Point 152.1 °C
Transport Information
Appearance
Safety 36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl 2-cyanonicotinate;
PSA 62.98000
LogP 1.12998

Ethyl 2-cyanopyridine-3-carboxylate Specification

The Ethyl 2-cyanopyridine-3-carboxylate, with the CAS registry number 75358-90-6, is also known as Ethyl 2-cyanonicotinate. This chemical's molecular formula is C₉H₈N₂O₂ and molecular weight is 176.17. What's more, its systematic name is Ethyl 2-cyanopyridine-3-carboxylate.

Physical properties about Ethyl 2-cyanopyridine-3-carboxylate are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.21; (6)ACD/BCF (pH 7.4): 3.21; (7)ACD/KOC (pH 5.5): 80.17; (8)ACD/KOC (pH 7.4): 80.17; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 62.98 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 44.86 cm³; (15)Molar Volume: 145.5 cm³; (16)Polarizability: 17.78×10^-24 cm³; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 152.1 °C; (20)Enthalpy of Vaporization: 57.02 kJ/mol; (21)Boiling Point: 327.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000196 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ncccc1C(=O)OCC
(2) InChI: InChI=1/C9H8N2O2/c1-2-13-9(12)7-4-3-5-11-8(7)6-10/h3-5H,2H2,1H3
(3) InChIKey: KOAWFXMHARNHJY-UHFFFAOYAO

Product Name

Ethyl 2-cyanopyridine-3-carboxylate

Ethyl 2-cyanopyridine-3-carboxylate Specification

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