4,4'-DI-N-BUTOXYBIPHENYL

The 1,1'-Biphenyl,4,4'-dibutoxy-, with the CAS registry number 39800-63-0, is also known as 4,4'-Dibutoxy-1,1'-biphenyl. It belongs to the product categories of Biphenyl & Diphenyl ether; Biphenyls (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. This chemical's molecular formula is C₂₀H₂₆O₂ and molecular weight is 298.42. What's more, its systematic name is 4,4'-dibutoxybiphenyl.

Physical properties of 1,1'-Biphenyl,4,4'-dibutoxy- are: (1)ACD/LogP: 6.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.79; (4)ACD/BCF (pH 5.5): 85869.3; (5)ACD/KOC (pH 5.5): 118364.3; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 9; (9)Polar Surface Area: 18.46 Å²; (10)Index of Refraction: 1.521; (11)Molar Refractivity: 91.99 cm³; (12)Molar Volume: 301.7 cm³; (13)Polarizability: 36.47×10^-24cm³; (14)Surface Tension: 34.7 dyne/cm; (15)Density: 0.988 g/cm³; (16)Flash Point: 152.4 °C; (17)Enthalpy of Vaporization: 64.94 kJ/mol; (18)Boiling Point: 421.5 °C at 760 mmHg; (19)Vapour Pressure: 6.35E-07 mmHg at 25°C.

Preparation of 1,1'-Biphenyl,4,4'-dibutoxy-: this chemical can be prepared by 1-bromo-butane, bromoethane, biphenyl-4,4'-diol. This reaction will need reagents NaOH, tertbutylammonium bromideand solvents H₂O, chlorobenzene with the reaction time of 30 min. The yield is about 48%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)c2ccc(OCCCC)cc2)CCCC
(2)InChI: InChI=1S/C20H26O2/c1-3-5-15-21-19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
(3)InChIKey: IBCVAKLNEYUUBM-UHFFFAOYSA-N