4-TERT-BUTYLBENZOPHENONE

The Methanone,[4-(1,1-dimethylethyl)phenyl]phenyl-, with the CAS registry number of 22679-54-5, is also known as 4-tert-Butylbenzophenone 97%. It belongs to the product category of Aromatic Benzophenones & Derivatives (substituted). Its EINECS registry number is 245-154-1. This chemical's molecular formula is C₁₇H₁₈O and molecular weight is 238.32. What's more, its IUPAC name is (4-tert-Butylphenyl)-phenylmethanone. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Methanone,[4-(1,1-dimethylethyl)phenyl]phenyl- are: (1)ACD/LogP: 4.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.87; (4)ACD/LogD (pH 7.4): 4.87; (5)ACD/BCF (pH 5.5): 2950.7; (6)ACD/BCF (pH 7.4): 2950.7; (7)ACD/KOC (pH 5.5): 10601.51; (8)ACD/KOC (pH 7.4): 10601.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 74.43 cm³; (15)Molar Volume: 234.2 cm³; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 1.017 g/cm³; (18)Flash Point: 147.6 °C; (19)Enthalpy of Vaporization: 59.2 kJ/mol; (20)Boiling Point: 347.7 °C at 760 mmHg; (21)Vapour Pressure: 5.3E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Phenyllithium with 4-tert-Butyl-benzoic acid. The reaction needs solvents Diethyl ether and Cyclohexane. The reaction time is 6 h with reaction temperature of -78 °C. The yield is about 85 %.



Uses: it is used to produce other chemicals. For example, it is used to produce 4-tert-Butyl-benzhydrol. This reaction needs reagents Zn and OH-. The yield is about 70 %.



When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(cc1)C(C)(C)C)c2ccccc2
(2) InChI: InChI=1/C17H18O/c1-17(2,3)15-11-9-14(10-12-15)16(18)13-7-5-4-6-8-13/h4-12H,1-3H3
(3) InChIKey: DFYJCXSOGSYMAJ-UHFFFAOYAA