Bisphenoxyethanolfluorene CAS NO.117344-32-8

1.Introduction of 117344-32-8

Bisphenoxyethanolfluorene has the systematic name of 2,2'-[9H-fluorene-9,9-diylbis(4,1-phenyleneoxy)]diethanol, and its CAS number is 117344-32-8. It has wide applications as fluorenes, fluorenes & fluorenones, fluorenes, functional materials, reagent for high-performance polymer research, fluorene series, alcohols, C9 to C30, oxygen compounds.

2.Properties of 117344-32-8

ACD/LogP: 4.141
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 4.14
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 5.5): 826.87
ACD/BCF (pH 7.4): 826.87
ACD/KOC (pH 5.5): 4264.82
ACD/KOC (pH 7.4): 4264.82
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
Polar Surface Area: 58.92  2
Index of Refraction: 1.651
Molar Refractivity: 128.282 cm3
Molar Volume: 351.162 cm3
Polarizability: 50.855 10-24cm3
Surface Tension: 56.859001159668 dyne/cm
Density: 1.249 g/cm3
Flash Point: 323.145 °C
Enthalpy of Vaporization: 95.354 kJ/mol
Boiling Point: 610.709 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 117344-32-8

(1)InChI: InChI=1S/C29H26O4/c30-17-19-32-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)33-20-18-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,30-31H,17-20H2
(2)InChIKey: NQXNYVAALXGLQT-UHFFFAOYSA-N
(3)Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)OCCO

4.Safety Information of 117344-32-8

Hazard Codes: Xi
Risk Statements: 37
Safety Statements: 26-36
WGK Germany: 3