1,4-Butanedione,1,4-diphenyl- (495-71-6)

The 1,2-Dibenzoylethane is an organic compound with the formula C₁₆H₁₄O₂. The IUPAC name of this chemical is 1,4-diphenylbutane-1,4-dione. With the CAS registry number 495-71-6, it is also named as 1,4-Butanedione, 1,4-diphenyl-. The product's category is Miscellaneous. Besides, it should be stored in a cool, dry place. When you are using it, do not breathe dust and avoid contact with skin and eyes.

Physical properties about 1,2-Dibenzoylethane are: (1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): 3.27; (3)ACD/LogD (pH 7.4): 3.27; (4)ACD/BCF (pH 5.5): 181.36; (5)ACD/BCF (pH 7.4): 181.36; (6)ACD/KOC (pH 5.5): 1439.71; (7)ACD/KOC (pH 7.4): 1439.71; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 34.14Ų; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 70.51 cm³; (13)Molar Volume: 213.3 cm³; (14)Polarizability: 27.95×10^-24cm³; (15)Surface Tension: 45 dyne/cm; (16)Density: 1.116 g/cm³; (17)Flash Point: 152.5 °C; (18)Enthalpy of Vaporization: 65.91 kJ/mol; (19)Boiling Point: 407.2 °C at 760 mmHg; (20)Vapour Pressure: 7.67E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,4-diphenyl-but-2c-ene-1,4-dione. This reaction will need reagent Na2S2O4 and alcohol .

Uses of 1,2-Dibenzoylethane: it can be used to produce 1,2,5-triphenyl-pyrrole. It will need reagent acetic acid.

You can still convert the following datas into molecular structure:
(1)(1)SMILES: O=C(c1ccccc1)CCC(=O)c2ccccc2
(2)InChI: InChI=1/C16H14O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
(3)InChIKey: OSWWFLDIIGGSJV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C16H14O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
(5)Std. InChIKey: OSWWFLDIIGGSJV-UHFFFAOYSA-N