Name: DIBENZYL KETOXIME
SKU: 1788-31-4

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Basic Information

Molecular Structure:
CAS No.:	1788-31-4
Name:	DIBENZYL KETOXIME
Article Data:	21

Formula:	C₁₅H₁₅NO
Molecular Weight:	225.29
Synonyms:	1,3-Diphenyl-2-propanoneoxime;1,3-Diphenylacetone oxime;Dibenzyl ketone oxime;Dibenzyl ketoxime;NSC4083;NSC 59140;N-Hydroxy-1,3-diphenylpropan-2-imine;1,3-Diphenylpropan-2-one oxime;
EINECS:	217-251-9
Density:	1.02 g/cm³
Melting Point:	122-124 °C
Boiling Point:	407.8 °C at 760 mmHg
Flash Point:	262.8 °C
Solubility:	Insoluble in water.
Appearance:	White or pale yellow crystalline powder
Safety:	22-24/25
PSA:	32.59000
LogP:	3.30200

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Specification

The 2-Propanone,1,3-diphenyl-, oxime, with the CAS registry number 1788-31-4, is also known as Dibenzyl ketoxime. Its EINECS number is 217-251-9. This chemical's molecular formula is C₁₅H₁₅NO and molecular weight is 225.29. What's more, its systematic name is N-Hydroxy-1,3-diphenylpropan-2-imine. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidizers. When using it, you can't breathe dust and you should avoid contact with skin and eyes.

Physical properties of 2-Propanone,1,3-diphenyl-, oxime are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 335.14; (6)ACD/BCF (pH 7.4): 335.14; (7)ACD/KOC (pH 5.5): 2234.42; (8)ACD/KOC (pH 7.4): 2234.37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.59 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 70.48 cm³; (15)Molar Volume: 219 cm³; (16)Polarizability: 27.94×10^-24cm³; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.02 g/cm³; (19)Flash Point: 262.8 °C; (20)Enthalpy of Vaporization: 69.57 kJ/mol; (21)Boiling Point: 407.8 °C at 760 mmHg; (22)Vapour Pressure: 2.2E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-diphenyl-propan-2-one at the temperature of 135 °C. This reaction will need reagents acetone oxime, 92 percent AcOH with the reaction time of 1.5 hours. The yield is about 100%.

2-Propanone,1,3-diphenyl-, oxime can be prepared by 1,3-diphenyl-propan-2-one at the temperature of 135 °C

Uses of 2-Propanone,1,3-diphenyl-, oxime: it can be used to produce 1-benzyl-2-phenyl-ethylamine at the ambient temperature. It will need reagents TiCl₄, NaBH₄ and solvent 1,2-dimethoxy-ethane with the reaction time of 14 hours. The yield is about 94%.

2-Propanone,1,3-diphenyl-, oxime can be used to produce 1-benzyl-2-phenyl-ethylamine at the ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CC(=NO)CC2=CC=CC=C2
(2)InChI: InChI=1S/C15H15NO/c17-16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,17H,11-12H2
(3)InChIKey: SXEBLVKLMOIGER-UHFFFAOYSA-N