4-Ethylbiphenyl

The 1,1'-Biphenyl, 4-ethyl-, with the CAS registry number 5707-44-8, is also known as 1-Ethyl-4-phenylbenzene. It belongs to the product categories of Biphenyl derivatives; Biphenyls (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. This chemical's molecular formula is C₁₄H₁₄ and molecular weight is 182.26. What's more, its systematic name is 4-Ethylbiphenyl. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. When using it, you must avoid contact with eyes. It is used as intermediates of liquid crystals.

Physical properties of 1,1'-Biphenyl, 4-ethyl- are: (1)ACD/LogP: 4.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.97; (4)ACD/LogD (pH 7.4): 4.97; (5)ACD/BCF (pH 5.5): 3507.56; (6)ACD/BCF (pH 7.4): 3507.56; (7)ACD/KOC (pH 5.5): 11998.01; (8)ACD/KOC (pH 7.4): 11998.01; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 60.39 cm³; (14)Molar Volume: 187.5 cm³; (15)Polarizability: 23.94×10^-24cm³; (16)Surface Tension: 35.3 dyne/cm; (17)Density: 0.971 g/cm³; (18)Flash Point: 128.7 °C; (19)Enthalpy of Vaporization: 50.6 kJ/mol; (20)Boiling Point: 287.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00418 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-biphenyl-4-yl-ethanone at the temperature of 20 °C. This reaction will need reagents AlCl₃, tert-butylamine-borane and solvent CH₂Cl₂ with the reaction time of 1 hour. The yield is about 91%.

Uses of 1,1'-Biphenyl, 4-ethyl-: it can be used to produce N-(1-biphenyl-4-yl-ethyl)-4-nitro-benzenesulfonamide at the temperature of 25 °C. It will need reagents Rh₂(OAc)₄, 4 Angstroem molecular sieves and solvent CH₂Cl₂. The yield is about 68%.

You can still convert the following datas into molecular structure:
(1)SMILES: c2(c1ccc(cc1)CC)ccccc2
(2)Std. InChI: InChI=1S/C14H14/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-11H,2H2,1H3
(3)Std. InChIKey: SRQOBNUBCLPPPH-UHFFFAOYSA-N