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1,2-Ethanedione,1,2-diphenyl-, 1-oxime

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Name

1,2-Ethanedione,1,2-diphenyl-, 1-oxime

EINECS N/A
CAS No. 14090-77-8 Density 1.12 g/cm3
PSA 49.66000 LogP 2.74780
Solubility N/A Melting Point N/A
Formula C14H11NO2 Boiling Point 381.1 °C at 760 mmHg
Molecular Weight 225.247 Flash Point 184.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14090-77-8 (B-BENZILMONOXIME) Hazard Symbols N/A
Synonyms

1,2-Diphenylethanedione monoxime;2-Hydroxyimino-2-phenylacetophenone;Benzil monoxime;NSC 658;1,2-Diphenylethane-1,2-dionemonoxime;1,2-Diphenyl-1-hydroxyiminoethan-2-one;Ethanedione, diphenyl-, monooxime(9CI);Benzil,monooxime (7CI,8CI);Benzil, oxime (6CI);

Article Data 17

1,2-Ethanedione,1,2-diphenyl-, 1-oxime Specification

The 1,2-Ethanedione,1,2-diphenyl-, 1-oxime, with the CAS registry number 14090-77-8, has the IUPAC name of 2-hydroxyimino-1,2-diphenylethanone. And the molecular formula of this chemical is C14H11NO2. What's more, it is usually used as cobalt reagent, and it is also used in organic synthesis.

The physical properties of 1,2-Ethanedione,1,2-diphenyl-, 1-oxime are as following: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 118.37; (6)ACD/BCF (pH 7.4): 117.6; (7)ACD/KOC (pH 5.5): 1060.77; (8)ACD/KOC (pH 7.4): 1053.84; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.66 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 66.72 cm3; (15)Molar Volume: 200.2 cm3; (16)Polarizability: 26.45×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 184.3 °C; (20)Enthalpy of Vaporization: 66.39 kJ/mol; (21)Boiling Point: 381.1 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-06 mmHg at 25°C.

Uses of 1,2-Ethanedione,1,2-diphenyl-, 1-oxime: It can react with 4-methyl-benzophenone-imine to produce 2-p-tolyl-2,4,5-triphenyl-2H-imidazole N-oxide. This reaction will need reagent methanesulphonic acid, and the solvent toluene. The reaction time is 20 hours with heating, and the yield is about 64%.   

1,2-Ethanedione,1,2-diphenyl-, 1-oxime can react with 4-methyl-benzophenone-imine to produce 2-p-tolyl-2,4,5-triphenyl-2H-imidazole N-oxide

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC=C(C=C1)C(=NO)C(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C14H11NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,17H
(3)InChIKey: OLBYFEGTUWWPTR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03757,
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 27, 1953.

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