CAS No.14090-77-8,B-BENZILMONOXIME Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14090-77-8
Name:	B-BENZILMONOXIME
Article Data:	17

Formula:	C₁₄H₁₁NO₂
Molecular Weight:	225.247
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);
Density:	1.12 g/cm³
Boiling Point:	381.1 °C at 760 mmHg
Flash Point:	184.3 °C
PSA:	49.66000
LogP:	2.74780

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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.