4-(2-Oxo-1(2H)-pyridinyl)benzonitrile supplier

Name
1-(4-Cyanophenyl)-1H-pyridin-2-one
EINECS
CAS No. 444002-96-4
Article Data4
CAS DataBase
Density 1.277 g/cm³
Solubility
Melting Point 165-166 °C
Formula C₁₂H₈N₂O
Boiling Point 424.443 °C at 760 mmHg
Molecular Weight 196.208
Flash Point 210.496 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Cyanophenyl)-1H-pyridin-2-one;
PSA 45.79000
LogP 1.70918

4-(2-Oxo-1(2H)-pyridinyl)benzonitrile Specification

The systematic name of 4-(2-Oxo-1(2H)-pyridinyl)benzonitrile is 4-(2-Oxo-1-pyridyl)benzonitrile. With the CAS registry number 444002-96-4, it is also named as 1-(4-Cyanophenyl)-1H-pyridin-2-one. In addition, its molecular formula is C₁₂H₈N₂O and its molecular weight is 196.2.

The other characteristics of 4-(2-Oxo-1(2H)-pyridinyl)benzonitrile can be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 10.375; (4)ACD/KOC (pH 7.4): 10.375; (5)H bond acceptors: 3; (6)H bond donors: 0; (7)Freely Rotating Bonds: 1; (8)Polar Surface Area: 44.1 Å²; (9)Index of Refraction: 1.653; (10)Molar Refractivity: 56.246 cm³; (11)Molar Volume: 153.595 cm³; (12)Polarizability: 22.297×10^-24cm³; (13)Surface Tension: 60.755 dyne/cm; (14)Density: 1.277 g/cm³; (15)Flash Point: 210.496 °C; (16)Melting point: 165-166 °C; (17)Enthalpy of Vaporization: 67.893 kJ/mol; (18)Boiling Point: 424.443 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccn(c(=O)c1)c2ccc(cc2)C#N
(2)InChI:InChI=1/C12H8N2O/c13-9-10-4-6-11(7-5-10)14-8-2-1-3-12(14)15/h1-8H
(3)InChIKey:YWUBPOQDSWXEOL-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)14-8-2-1-3-12(14)15/h1-8H
(5)Std. InChIKey:YWUBPOQDSWXEOL-UHFFFAOYSA-N

Product Name

1-(4-Cyanophenyl)-1H-pyridin-2-one

4-(2-Oxo-1(2H)-pyridinyl)benzonitrile Specification

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