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CAS No.: | 27049-45-2 |
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Name: | 2-Phenyl-1-pyridin-2-yl-ethanone |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C13H11NO |
Molecular Weight: | 197.236 |
Synonyms: | Benzyl-2-pyridyl ketone;2-Phenyl-1-(pyridin-2-yl)ethanone;2-Phenylacetylpyridine;Ethanone, 2-phenyl-1-(2-pyridinyl)-; |
Density: | 1.127 g/cm3 |
Boiling Point: | 330.4 °C at 760 mmHg |
Flash Point: | 161.7 °C |
PSA: | 29.96000 |
LogP: | 2.50700 |
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The 2-Phenyl-1-pyridin-2-yl-ethanone, with the CAS registry number 27049-45-2, is also known as Benzyl-2-pyridyl ketone. This chemical's molecular formula is C13H11NO and molecular weight is 197.23. What's more, its systematic name is 2-Phenyl-1-(pyridin-2-yl)ethanone.
Physical properties of 2-Phenyl-1-pyridin-2-yl-ethanone are: (1)ACD/LogP: 2.38; (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: 29.96 Å2; (7)Index of Refraction: 1.588; (8)Molar Refractivity: 58.85 cm3; (9)Molar Volume: 174.8 cm3; (10)Polarizability: 23.33×10-24 cm3; (11)Surface Tension: 47.3 dyne/cm; (12)Density: 1.127 g/cm3; (13)Flash Point: 161.7 °C; (14)Enthalpy of Vaporization: 57.3 kJ/mol; (15)Boiling Point: 330.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000166 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,3-Dihydro-1-hydroxy-3-oxo-2-phenyl-1H-4λ5-pyrrolo[1,2-a]pyridin-4-ylium-1-olate at the temperature of 20 °C. This reaction will need reagents NaOH and H2O. The yield is about 95%.
Uses of 2-Phenyl-1-pyridin-2-yl-ethanone: it can be used to produce 2-brom-2-phenyl-1-(2-pyridyl)-1-ethanon hydrobromid at the ambient temperature. It will need reagent brom and solvent acetic acid with the reaction time of 2 hours. The yield is about 72%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ncccc1)Cc2ccccc2
(2)InChI: InChI=1S/C13H11NO/c15-13(12-8-4-5-9-14-12)10-11-6-2-1-3-7-11/h1-9H,10H2
(3)InChIKey: WTYYKZLGTHPLPZ-UHFFFAOYSA-N