Benzonitrile,2-(2-oxo-2-phenylethyl)- supplier

Name
2-(2-CYANOPHENYL)ACETOPHENONE
EINECS
CAS No. 10517-64-3
Article Data12
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point 109-111 °C(Solv: ethanol (64-17-5))
Formula C₁₅H₁₁NO
Boiling Point 381.3 °C at 760 mmHg
Molecular Weight 221.258
Flash Point 184.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Tolunitrile,a-benzoyl- (6CI,7CI,8CI);2-(Benzoylmethyl)benzonitrile;NSC 100685;
PSA 40.86000
LogP 2.98368

Benzonitrile,2-(2-oxo-2-phenylethyl)- 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

Product Name

2-(2-CYANOPHENYL)ACETOPHENONE

Benzonitrile,2-(2-oxo-2-phenylethyl)- Specification

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