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Name |
Benzonitrile,2-(2-phenylethyl)- |
EINECS | N/A |
CAS No. | 5505-00-0 | Density | 1.07 g/cm3 |
PSA | 23.79000 | LogP | 3.34348 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H13N | Boiling Point | 318.3 °C at 760 mmHg |
Molecular Weight | 207.275 | Flash Point | 146.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzonitrile,o-phenethyl- (7CI,8CI);2-(2-Phenylethyl)benzonitrile;2-Phenethylbenzonitrile;NSC 100687;o-Phenethylbenzonitrile; |
Article Data | 8 |
The Benzonitrile,2-(2-phenylethyl)- is an organic compound with the molecular formula C15H13N. Its CAS registry number is 5505-00-0. Its IUPAC name is 2-(2-Phenylethyl)benzonitrile. What's more, this chemical's molecular weight is 207.27.
Physical properties about this chemical are: (1)ACD/LogP: 4.14; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 23.79 Å2; (7)Index of Refraction: 1.591; (8)Molar Refractivity: 65.28 cm3; (9)Molar Volume: 193 cm3; (10)Polarizability: 25.88×10-24 cm3; (11)Surface Tension: 46.9 dyne/cm; (12)Density: 1.07 g/cm3; (13)Flash Point: 146.9 °C; (14)Enthalpy of Vaporization: 55.98 kJ/mol; (15)Boiling Point: 318.3 °C at 760 mmHg ; (16)Vapour Pressure: 0.000364 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccccc1CCc2ccccc2
(2) InChI: InChI=1/C15H13N/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9H,10-11H2
(3) InChIKey: OXQILFVQUJWBPI-UHFFFAOYAI