Home >> Chemicals Listing >> hot product list by 4  

4-(2-Oxo-1(2H)-pyridinyl)benzonitrile (444002-96-4)

Identification
Name:4-(2-Oxo-1(2H)-pyridinyl)benzonitrile
Synonyms:1-(4-Cyanophenyl)-1H-pyridin-2-one;
CAS:444002-96-4
Molecular Formula: C12H8N2O
Molecular Weight: 196.20
InChI: InChI=1/C12H8N2O/c13-9-10-4-6-11(7-5-10)14-8-2-1-3-12(14)15/h1-8H
Molecular Structure: (C12H8N2O) 1-(4-Cyanophenyl)-1H-pyridin-2-one;
Properties
Flash Point: 424.443 °C at 760 mmHg
Boiling Point: 424.443 °C at 760 mmHg
Density:1.27
Refractive index:1.653
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

Flash Point: 424.443 °C at 760 mmHg
Safety Data
 

Other Product