5(4H)-Oxazolone,2-phenyl-4-(phenylmethylene)- supplier

Name
4-Benzylidene-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
EINECS
CAS No. 842-74-0
Article Data103
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₁NO₂
Boiling Point 386.5 °C at 760 mmHg
Molecular Weight 249.269
Flash Point 175.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Oxazolin-5-one,4-benzylidene-2-phenyl- (6CI,7CI,8CI);5(4H)-Oxazolone, 4-benzylidene-2-phenyl-(4CI);2-Phenyl-4-(phenylmethylene)-5(4H)-Oxazolone;2-Phenyl-4-benzylidene-5(4H)-oxazolone;2-Phenyl-4-benzylidene-5-oxazolone;4-Benzylidene-2-phenyl-2-oxazolin-5-one;4-Benzylidene-2-phenyl-4H-oxazol-5-one;4-Benzylidene-2-phenyl-5(4H)-oxazolone;4-Benzylidene-2-phenyl-5-oxazolone;NSC 291;NSC 3334;
PSA 38.66000
LogP 2.46670

5(4H)-Oxazolone,2-phenyl-4-(phenylmethylene)- Specification

The 5(4H)-Oxazolone,2-phenyl-4-(phenylmethylene)-, with the CAS registry number 842-74-0, is also known as 4-Benzylidene-2-phenyl-4,5-dihydro-1,3-oxazol-5-one. It belongs to the product category of Benzenes. This chemical's molecular formula is C₁₆H₁₁NO₂ and molecular weight is 249.264. What's more, both its IUPAC name and systematic name are the same which is called (4Z)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4H)-one.

Physical properties about 5(4H)-Oxazolone,2-phenyl-4-(phenylmethylene)- are: (1) ACD/LogP: 3.88; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 38.66 Å²; (7) Index of Refraction: 1.61; (8) Molar Refractivity: 73.93 cm³; (9) Molar Volume: 213.1 cm³; (10) Surface Tension: 45 dyne/cm; (11) Density: 1.16 g/cm³; (12) Flash Point: 175.6 °C; (13) Enthalpy of Vaporization: 63.54 kJ/mol; (14) Boiling Point: 386.5 °C at 760 mmHg; (15) Vapour Pressure: 3.54E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2O\C(=N/C2=C\c1ccccc1)c3ccccc3
(2) InChI: InChI=1/C16H11NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-11H/b14-11-
(3) InChIKey: VFDOKJVMHZUBTN-KAMYIIQDBT

Product Name

4-Benzylidene-2-phenyl-4,5-dihydro-1,3-oxazol-5-one

5(4H)-Oxazolone,2-phenyl-4-(phenylmethylene)- Specification

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