4'-N-HEXYLACETOPHENONE

The Ethanone,1-(4-hexylphenyl)-, with the CAS registry number 37592-72-6, has the systematic name and IUPAC name of 1-(4-hexylphenyl)ethanone. It belongs to the following product categories: Acetophenones (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. And the molecular formula of the chemical is C₁₄H₂₀O. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of Ethanone,1-(4-hexylphenyl)- are as followings: (1)ACD/LogP: 4.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.78; (4)ACD/LogD (pH 7.4): 4.78; (5)ACD/BCF (pH 5.5): 2535.96; (6)ACD/BCF (pH 7.4): 2535.96; (7)ACD/KOC (pH 5.5): 9512.2; (8)ACD/KOC (pH 7.4): 9512.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.07 Ų; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 64.36 cm³; (15)Molar Volume: 219.8 cm³; (16)Polarizability: 25.51×10^-24cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 0.929 g/cm³; (19)Flash Point: 128.2 °C; (20)Enthalpy of Vaporization: 54.94 kJ/mol; (21)Boiling Point: 308.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000668 mmHg at 25°C. 

Preparation of Ethanone,1-(4-hexylphenyl)-: This chemical can be prepared by acetyl chloride and hexylbenzene. The reaction will need reagent anhydrous AlCl₃, and the menstruum CH₂Cl₂. The reaction time is 2 hours with ambient temperature. 

Uses of Ethanone,1-(4-hexylphenyl)-: It can react with 2-amino-5-bromo-benzophenone to produce 6-bromo-2-(4-hexyl-phenyl)-4-phenyl-quinoline. This reaction will need reagent diphenylphosphate. The reaction time is 4 minutes with irradiation, and the yield is about 75%.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(cc1)CCCCCC)C
(2)InChI: InChI=1/C14H20O/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-11H,3-7H2,1-2H3
(3)InChIKey: WWBVHJKFJZBRSO-UHFFFAOYAK