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3-Oxo-3-(2-pyridinyl)propanenitrile

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Name

3-Oxo-3-(2-pyridinyl)propanenitrile

EINECS
CAS No. 54123-21-6 Density 1.178 g/cm3
Solubility Melting Point 97-99°C
Formula C8H6N2O Boiling Point 1.178 g/cm3
Molecular Weight 146.15 Flash Point 142.919 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 54123-21-6 (2-Pyridinepropanenitrile,b-oxo-) Hazard Symbols IrritantXi
Synonyms

2-Pyridinepropionitrile,b-oxo- (7CI);3-Oxo-3-(2-pyridinyl)propanenitrile;3-Oxo-3-(pyridin-2-yl)propionitrile;

 

3-Oxo-3-(2-pyridinyl)propanenitrile Specification

The 3-Oxo-3-(2-pyridinyl)propanenitrilec ,its cas register number is 54123-21-6.It also can be called as 2-Pyridinepropanenitrile,b-oxo- and the Systematic name about this chemical is 3-Oxo-3-(pyridin-2-yl)propanenitrile .HazardClass about this chemical is Irritant.

Following are the chemical properties about 3-Oxo-3-(2-pyridinyl)propanenitrilec :(1)#H bond acceptors: 3 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 53.75Å2 ; (5)Index of Refraction: 1.54 ; (6)Molar Refractivity: 38.918 cm3 ; (7)Molar Volume: 124.077 cm3 ; (8)Polarizability: 15.428x10-24cm3 ; (9)Surface Tension: 52.938 dyne/cm; (10)Enthalpy of Vaporization: 55.372 kJ/mol ; (11)Vapour Pressure: 0.001 mmHg at 25°C

This chemical can be described computed from structure:
(1)SMILES: O=C(c1ncccc1)CC#N
(2)InChI: InChI=1/C8H6N2O/c9-5-4-8(11)7-3-1-2-6-10-7/h1-3,6H,4H2
(3)InChIKey: POACVIKYJGGGPA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H6N2O/c9-5-4-8(11)7-3-1-2-6-10-7/h1-3,6H,4H2
(5)Std. InChIKey: POACVIKYJGGGPA-UHFFFAOYSA-N

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