1-ETHOXYNAPHTHALENE

The Naphthalene, 1-ethoxy-, with the CAS registry number of 5328-01-8, is also known as Ethyl 1-naphthyl ether. Its EINECS registry number is 226-213-0. This chemical's molecular formula is C₁₂H₁₂O and molecular weight is 172.223080. What's more, its IUPAC name is 1-Ethoxynaphthalene. In addition, it must be stored in airtight containers and placed in a dry, cool place. During using it, you should avoid contacting with skin and eyes.

Physical properties about the Naphthalene, 1-ethoxy- are: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 537.94; (6)ACD/BCF (pH 7.4): 537.94; (7)ACD/KOC (pH 5.5): 3135.17; (8)ACD/KOC (pH 7.4): 3135.17; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 55.4 cm³; (15)Molar Volume: 164 cm³; (16)Surface Tension: 38 dyne/cm; (17)Density: 1.049 g/cm³; (18)Flash Point: 109.4 °C; (19)Enthalpy of Vaporization: 49.84 kJ/mol; (20)Boiling Point: 280.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00641 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Iodoethane with Naphthalen-1-ol. The reaction needs reagent KOH and solvent CHCl₃. The reaction time is 6 h. The yield is about 92.7 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 4,4'-Diethoxy-[1,1']binaphthyl. This reaction needs reagent TiCl₄. Meanwhile, it needs solvent Nitromethane. The reaction time is 1 h with reaction temperature of 20 °C. The yield is about 85 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c2cccc1ccccc12)CC
(2) InChI: InChI=1/C12H12O/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
(3) InChIKey: APWZAIZNWQFZBK-UHFFFAOYAG