Methanone,phenyl-2-pyridinyl-, oxime (1826-28-4)

The Phenyl 2-pyridyl ketoxime with the CAS number 1826-28-4 is also called Methanone,phenyl-2-pyridinyl-, oxime. The systematic name is (Z)-N-hydroxy-1-phenyl-1-(pyridin-2-yl)methanimine. Its molecular formula is C₁₂H₁₀N₂O. The EINECS registry number is 217-374-8. This chemical belongs to the following product categories: (1)Heterocyclic Compounds; (2)Analytical Chemistry; (3)Bipyridyls, etc. (Chelating Reagents); (4)Chelating Reagents; (5)C9 to C46; (6)Heterocyclic Building Blocks; (7)Pyridines.

The properties of the Phenyl 2-pyridyl ketoxime are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 202; (8)ACD/KOC (pH 7.4): 202; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.48 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 59.709 cm³; (15)Molar Volume: 175.445 cm³; (16)Polarizability: 23.671×10^-24cm³; (17)Surface Tension: 44.548 dyne/cm; (18)Enthalpy of Vaporization: 64.456 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

Uses: This chemical can react with iodomethane to prepare phenyl-pyridin-2-yl-methanone O-methyl-oxime. This reaction needs reagent NaOH, polymer-QX, catalyst CH₂PBu₃Cl and solvent benzene at temperature of 80 °C. The reaction time is 2.0 hours. The yield is 59%. The type of this reaction is Methylation.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C(/c1ccccn1)c2ccccc2
(2)InChI: InChI=1/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H/b14-12-
(3)InChIKey: RSJDEVMJZLLAHS-OWBHPGMIBS