4-(2-Pyridyl)benzonitrile supplier

Name
4-(2-PYRIDYL)BENZONITRILE
EINECS 250-921-9
CAS No. 32111-34-5
Article Data61
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 91-92 °C
Formula C₁₂H₈N₂
Boiling Point 346.5 °C at 760 mmHg
Molecular Weight 180.209
Flash Point 121 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile,p-2-pyridyl- (4CI);4-(2-Pyridinyl)benzonitrile;
PSA 36.68000
LogP 2.62028

4-(2-Pyridyl)benzonitrile Specification

The 4-(2-Pyridyl)benzonitrile with the cas number 32111-34-5 is also called Benzonitrile,4-(2-pyridinyl)-. The IUPAC name is 4-pyridin-2-ylbenzonitrile. Its EINECS registry number is 250-921-9. The molecular formula is C₁₂H₈N₂. The product category is pharmacetical.

The properties of the chemical are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.49; (6)ACD/BCF (pH 7.4): 17.82; (7)ACD/KOC (pH 5.5): 268.41; (8)ACD/KOC (pH 7.4): 273.51; (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)Enthalpy of Vaporization: 59.07 kJ/mol; (19)Vapour Pressure: 5.74×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc(c1ncccc1)cc2
(2)InChI: InChI=1/C12H8N2/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h1-8H
(3)InChIKey: CCMRFUCSFRRPNT-UHFFFAOYAL

Product Name

4-(2-PYRIDYL)BENZONITRILE

4-(2-Pyridyl)benzonitrile Specification

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