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CAS No.: | 10517-64-3 |
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Name: | 2-(2-CYANOPHENYL)ACETOPHENONE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C15H11NO |
Molecular Weight: | 221.258 |
Synonyms: | o-Tolunitrile,a-benzoyl- (6CI,7CI,8CI);2-(Benzoylmethyl)benzonitrile;NSC 100685; |
Density: | 1.16 g/cm3 |
Melting Point: | 109-111 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 381.3 °C at 760 mmHg |
Flash Point: | 184.4 °C |
PSA: | 40.86000 |
LogP: | 2.98368 |
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The Benzonitrile,2-(2-oxo-2-phenylethyl)- is an organic compound with the formula C15H11NO. The systematic name of this chemical is 2-(2-oxo-2-phenylethyl)benzonitrile. With the CAS registry number 10517-64-3, it is also named as 2-(2-Cyanophenyl)acetophenone. In addition, the molecular weight is 221.25.
The other characteristics of Benzonitrile,2-(2-oxo-2-phenylethyl)- can be summarized as: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 40.86 Å2; (7)Index of Refraction: 1.604; (8)Molar Refractivity: 65.4 cm3; (9)Molar Volume: 190 cm3; (10)Polarizability: 25.92×10-24 cm3; (11)Surface Tension: 51.9 dyne/cm; (12)Density: 1.16 g/cm3; (13)Flash Point: 184.4 °C; (14)Enthalpy of Vaporization: 62.95 kJ/mol; (15)Boiling Point: 381.3 °C at 760 mmHg; (16)Vapour Pressure: 5.14E-06 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1ccccc1)Cc2ccccc2C#N
2. InChI:InChI=1/C15H11NO/c16-11-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12/h1-9H,10H2
3. InChIKey:SBWAMTWLDTZJDO-UHFFFAOYAT
4. Std. InChI:InChI=1S/C15H11NO/c16-11-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12/h1-9H,10H2
5. Std. InChIKey:SBWAMTWLDTZJDO-UHFFFAOYSA-N