Basic information
- Name:
Benzonitrile,2-(2-oxo-2-phenylethyl)-
- CAS No.:
10517-64-3
- Molecular Structure:
- Formula:
- C15H11NO
- Molecular Weight:
- 221.25
- Synonyms:
- o-Tolunitrile,a-benzoyl- (6CI,7CI,8CI);2-(Benzoylmethyl)benzonitrile;NSC 100685;
- Density:
- 1.16 g/cm3
- Boiling Point:
- 381.3 °C at 760 mmHg
- Flash Point:
- 184.4 °C
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
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
