2,2,2-Triphenylacetophenone

The CAS register number of 2,2,2-Triphenylacetophenone is 466-37-5. It also can be called as Phenyl triphenylmethyl ketone and the IUPAC name about this chemical is 1,2,2,2-tetraphenylethanone. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about 2,2,2-Triphenylacetophenone are: (1)ACD/LogP: 6.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.25; (4)ACD/LogD (pH 7.4): 6.25; (5)ACD/BCF (pH 5.5): 33275.59; (6)ACD/BCF (pH 7.4): 33275.59; (7)ACD/KOC (pH 5.5): 60051.18; (8)ACD/KOC (pH 7.4): 60051.18; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 17.07Ų; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 109.13 cm³; (14)Molar Volume: 308.7 cm³; (15)Polarizability: 43.26x10^-24cm³; (16)Surface Tension: 46.2 dyne/cm; (17)Enthalpy of Vaporization: 76.66 kJ/mol; (18)Boiling Point: 498.4 °C at 760 mmHg; (19)Vapour Pressure: 4.55E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by benzophenone. This reaction will need reagent Me₂SiCl₂, Zn-Cu and solvent diethyl ether. The reaction time is 12 hour(s) with ambient temperature. The yield is about 70%.

Uses of 2,2,2-Triphenylacetophenone: it can be used to produce benzopinacolone-2'-sulfonamide at temperature of 130 ℃. This reaction will need reagent chlorosulfonyl isocyanate and solvent nitrobenzene with reaction time of 2 hours. The yield is about 52%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C26H20O/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
(3)InChIKey: CFBBKHROQRFCNZ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C26H20O/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
(5)Std. InChIKey: CFBBKHROQRFCNZ-UHFFFAOYSA-N