Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Oxo-3-(2-pyridinyl)propanenitrile |
EINECS | N/A |
CAS No. | 54123-21-6 | Density | 1.178 g/cm3 |
PSA | 53.75000 | LogP | 1.17798 |
Solubility | N/A | Melting Point |
97-99°C |
Formula | C8H6N2O | Boiling Point | 1.178 g/cm3 |
Molecular Weight | 146.148 | Flash Point | 142.919 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Pyridinepropionitrile,b-oxo- (7CI);3-Oxo-3-(2-pyridinyl)propanenitrile;3-Oxo-3-(pyridin-2-yl)propionitrile; |
Article Data | 13 |
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