CAS No.3459-88-9,1,4-Diphenoxybutane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3459-88-9
Name:	1,4-Diphenoxybutane
Article Data:	11

Formula:	C₁₆H₁₈O₂
Molecular Weight:	242.318
Synonyms:	1,4-Diphenoxybutane;
Density:	1.047 g/cm³
Melting Point:	97-100°C
Boiling Point:	378.1 °C at 760 mmHg
Flash Point:	149.9 °C
Appearance:	Off-white Crystals
PSA:	18.46000
LogP:	3.92460

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Specification

The Benzene,1,1'-[1,4-butanediylbis(oxy)]bis- (9Cl), with the CAS registry number 3459-88-9, is also known as 1,4-Diphenoxybutane. This chemical's molecular formula is C₁₆H₁₈O₂ and molecular weight is 242.32. What's more, its IUPAC name is 4-phenoxybutoxybenzene.

Physical properties of Benzene,1,1'-[1,4-butanediylbis(oxy)]bis- (9Cl) are: (1)ACD/LogP: 4.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.7; (4)ACD/LogD (pH 7.4): 4.7; (5)ACD/BCF (pH 5.5): 2186.47; (6)ACD/BCF (pH 7.4): 2186.47; (7)ACD/KOC (pH 5.5): 8554.3; (8)ACD/KOC (pH 7.4): 8554.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 73.07 cm³; (15)Molar Volume: 231.3 cm³; (16)Polarizability: 28.97×10^-24cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.047 g/cm³; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 60.14 kJ/mol; (21)Boiling Point: 378.1 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by phenol and 1,4-dibromo-butane at the temperature of 85°C. This reaction will need reagents Aliquat 336, KOH with the reaction time of 2 hours. The yield is about 95%.

Benzene,1,1'-[1,4-butanediylbis(oxy)]bis- (9Cl) can be prepared by phenol and 1,4-dibromo-butane at the temperature of 85°C

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)CCCCOc2ccccc2
(2)Std. InChI: InChI=1S/C16H18O2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
(3)Std. InChIKey: PMVVWYMWJBCMMI-UHFFFAOYSA-N