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Phenyl 2-pyridyl ketoxime

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Name

Phenyl 2-pyridyl ketoxime

EINECS 217-374-8
CAS No. 1826-28-4 Density 1.13 g/cm3
PSA 45.48000 LogP 2.30820
Solubility insoluble Melting Point 154-156 °C(lit.)
Formula C12H10N2O Boiling Point 364.703 °C at 760 mmHg
Molecular Weight 198.224 Flash Point 174.366 °C
Transport Information N/A Appearance Slightly pinl crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1826-28-4 (Phenyl 2-pyridyl ketoxime) Hazard Symbols IrritantXi
Synonyms

Ketone,phenyl 2-pyridyl, oxime (6CI,7CI,8CI);2-Benzoylpyridine ketoxime;2-Benzoylpyridine oxime;NSC 53389;Phenyl 2-pyridyl ketone oxime;Phenyl2-pyridyl ketoxime;Phenyl(2-pyridinyl)methanone oxime;

Article Data 10

Phenyl 2-pyridyl ketoxime Specification

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

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