CAS No.39065-43-5,2-CYANO-3-PHENYLPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39065-43-5
Name:	2-CYANO-3-PHENYLPYRIDINE
Article Data:	3

Formula:	C₁₂H₈N₂
Molecular Weight:	180.21
Synonyms:	3-phenylpyridine-2-carbonitrile;3-Phenylpyridine-2-carbonitrile;2-pyridinecarbonitrile, 3-phenyl-;
Density:	1.17 g/cm³
Melting Point:	125-126℃
Boiling Point:	378.8 °C at 760 mmHg
Flash Point:	128.7 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	36.68000
LogP:	2.62028

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Specification

The 2-Pyridinecarbonitrile,3-phenyl-, with the CAS registry number 39065-43-5, has the systematic name of 3-phenylpyridine-2-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₁₂H₈N₂.

The physical properties of 2-Pyridinecarbonitrile,3-phenyl- are as following: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.03; (6)ACD/BCF (pH 7.4): 31.03; (7)ACD/KOC (pH 5.5): 406.81; (8)ACD/KOC (pH 7.4): 406.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 53.82 cm³; (15)Molar Volume: 153.2 cm³; (16)Polarizability: 21.33×10^-24cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 128.7 °C; (20)Enthalpy of Vaporization: 62.67 kJ/mol; (21)Boiling Point: 378.8 °C at 760 mmHg; (22)Vapour Pressure: 6.13E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ncccc2c1ccccc1
(2)InChI: InChI=1/C12H8N2/c13-9-12-11(7-4-8-14-12)10-5-2-1-3-6-10/h1-8H
(3)InChIKey: ZSNUPFREOOEHDI-UHFFFAOYAC