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| CAS No.: | 1131-61-9 |
|---|---|
| Name: | 4-Phenylpyridine-N-oxide |
| Molecular Structure: | |
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| Formula: | C11H9NO |
| Molecular Weight: | 171.199 |
| Synonyms: | 4-Phenylpyridine1-oxide;4-Phenylpyridine N-oxide;4-Phenylpyridine oxide;NSC 187559;p-Phenylpyridine N-oxide; |
| EINECS: | 214-467-5 |
| Density: | 1.06 g/cm3 |
| Melting Point: | 153-155 °C(lit.) |
| Boiling Point: | 410.9 °C at 760 mmHg |
| Flash Point: | 202.3 °C |
| Appearance: | beige to light brown crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 25.46000 |
| LogP: | 2.78210 |
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Specification
The 4-Phenylpyridine-N-oxide, with the CAS registry number 1131-61-9, is also known as . It belongs to the product categories of C9 to C46; Heterocyclic Building Blocks; Pyridines. Its EINECS registry number is 214-467-5. This chemical's molecular formula is C11H9NO and molecular weight is 171.2. Its systematic name is called 4-phenylpyridine 1-oxide. It is beige to light brown crystalline powder. When you are using this chemical, please be cautious about it, you should not breathe its dust. In addition, you must avoid contacting it with skin and eyes.
Physical properties of 4-Phenylpyridine-N-oxide: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 76.37; (8)ACD/KOC (pH 7.4): 76.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 52.94 cm3; (14)Molar Volume: 160.6 cm3; (15)Surface Tension: 42.1 dyne/cm; (16)Density: 1.06 g/cm3; (17)Flash Point: 202.3 °C; (18)Enthalpy of Vaporization: 63.76 kJ/mol; (19)Boiling Point: 410.9 °C at 760 mmHg; (20)Vapour Pressure: 1.38E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-phenyl-pyridine. This reaction will need reagent acetic acid, aqueous hydrogen peroξde.
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Uses of 4-Phenylpyridine-N-oxide: it can be used to produce 4-phenyl-pyridine at temperature of 20 °C. This reaction will need reagent indium, TiCl4 and solvent tetrahydrofuran with reaction time of 5 min. The yield is about 90%.
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You can still convert the following datas into molecular structure:
(1)SMILES: [O-][n+]2ccc(c1ccccc1)cc2
(2)InChI: InChI=1/C11H9NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
(3)InChIKey: VZOPVKZLLGMDDG-UHFFFAOYAI