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CAS No.: | 127972-27-4 |
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Name: | 4-Ethoxy-4'-hydroxybiphenyl |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C14H14O2 |
Molecular Weight: | 214.26 |
Synonyms: | [1,1'-Biphenyl]-4-ol, 4'-ethoxy-; |
Density: | 1.106 g/cm3 |
Boiling Point: | 357.4 °C at 760 mmHg |
Flash Point: | 195.7 °C |
PSA: | 29.46000 |
LogP: | 3.45790 |
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The 4-Ethoxy-4'-hydroxybiphenyl, with the CAS registry number of 127972-27-4, is also known as [1,1'-Biphenyl]-4-ol, 4'-ethoxy-. It belongs to the product category of Biphenyl & Diphenyl ether. Its molecular formula is C14H14O2 and molecular weight is 214.26. What's more, its systematic name is 4'-Ethoxybiphenyl-4-ol.
Physical properties about the 4-Ethoxy-4'-hydroxybiphenyl are: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 292.07; (6)ACD/BCF (pH 7.4): 291.34; (7)ACD/KOC (pH 5.5): 2024.89; (8)ACD/KOC (pH 7.4): 2019.82; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 64.03 cm3; (15)Molar Volume: 193.6 cm3; (16)Surface Tension: 41.6 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 195.7 °C; (19)Enthalpy of Vaporization: 62.65 kJ/mol; (20)Boiling Point: 357.4 °C at 760 mmHg; (21)Vapour Pressure: 1.33E-05 mmHg at 25 °C.
Preparation: this chemical can be obtained by Biphenyl-4,4'-diol and Bromoethane. The reaction needs reagent KOH and solvent Dimethylsulfoxide. The reaction time is 3 h with reaction temperature of 20 °C. The yield is about 54 %.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOc1ccc(cc1)c2ccc(O)cc2
(2) InChI: InChI=1/C14H14O2/c1-2-16-14-9-5-12(6-10-14)11-3-7-13(15)8-4-11/h3-10,15H,2H2,1H3
(3) InChIKey: SAVUMZAYQJUCOL-UHFFFAOYAN