BETA-PHENYLPROPIOPHENONE

The CAS register number of 1-Propanone,1,3-diphenyl- is 1083-30-3. It also can be called as 1-Benzoyl-2-phenylethane and the IUPAC name about this chemical is 1,3-diphenylpropan-1-one. The molecular formula about this chemical is C₁₅H₁₄O and the molecular weight is 210.27.

Physical properties about 1-Propanone,1,3-diphenyl- are: (1)ACD/LogP: 3.83; (2)ACD/LogD (pH 5.5): 3.83; (3)ACD/LogD (pH 7.4): 3.83; (4)ACD/BCF (pH 5.5): 481.89; (5)ACD/BCF (pH 7.4): 481.89; (6)ACD/KOC (pH 5.5): 2897.72; (7)ACD/KOC (pH 7.4): 2897.72; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 65.4 cm³; (13)Molar Volume: 198.1 cm³; (14)Polarizability: 25.92x10^-24cm³; (15)Surface Tension: 41.9 dyne/cm; (16)Density: 1.061 g/cm³; (17)Flash Point: 152.9 °C; (18)Enthalpy of Vaporization: 59.75 kJ/mol; (19)Boiling Point: 352.7 °C at 760 mmHg; (20)Vapour Pressure: 3.78E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by a-Phenylsulfonyl-a-benzoyl-b-phenylaethan. This reaction will need reagent of TiCl₄-Zn and solvent of tetrahydrofuran. The reaction time is 2 hours with ambient temperature. The yield is about 92%.

Uses of 1-Propanone,1,3-diphenyl-: it can be used to produce 2-bromo-1,3-diphenyl-propan-1-one. This reaction will need reagents of acetic acid, bromine. The reaction temperature is 50 °C.

When you are using this chemical, please be cautious about it as the following:
If you want to use this chemical, avoid contact with skin and eyes and do not breathe dust. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with strong oxidizing agents.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)CCc2ccccc2
(2)InChI: InChI=1/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
(3)InChIKey: QGGZBXOADPVUPN-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
(5)Std. InChIKey: QGGZBXOADPVUPN-UHFFFAOYSA-N