1,1'-Binaphthyl

The 1,1'-Binaphthalene, with CAS registry number 604-53-5, belongs to the following product category: Aromatic Compounds. It has the systematic name of 1,1'-binaphthalene. This chemical is a kind of brown powder. When use this chemical, avoid contact with skin and eyes. What's more, its EINECS is 210-070-6.

Physical properties of 1,1'-Binaphthalene: (1)ACD/LogP: 6.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.44; (4)ACD/LogD (pH 7.4): 6.44; (5)ACD/BCF (pH 5.5): 45938.98; (6)ACD/BCF (pH 7.4): 45938.98; (7)ACD/KOC (pH 5.5): 75643.53; (8)ACD/KOC (pH 7.4): 75643.53; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 86.52 cm³; (15)Molar Volume: 222.9 cm³; (16)Polarizability: 34.3×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 192.1 °C; (20)Enthalpy of Vaporization: 63.1 kJ/mol; (21)Boiling Point: 405 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-06 mmHg at 25°C.

Preparation of 1,1'-Binaphthalene: this chemical can be prepared by 1-bromo-naphthalene. This reaction will need reagent TBAF and solvent dimethylsulfoxide. The reaction time is 15 hours with reaction temperature of 120 °C. The yield is about 48%.

Uses of 1,1'-Binaphthalene: it can be used to produce 2,2'-binaphthylidyl-11-crown-3 at temperature of 65 °C. This reaction will need reagent cesium fluoride and solvent acetonitrile with reaction time of 48 hours. The yield is about 74%.

You can still convert the following datas into molecular structure:
(1)SMILES: c3cccc4cccc(c2c1ccccc1ccc2)c34
(2)InChI: InChI=1/C20H14/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
(3)InChIKey: ZDZHCHYQNPQSGG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C20H14/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
(5)Std. InChIKey: ZDZHCHYQNPQSGG-UHFFFAOYSA-N