CAS No.330562-44-2,1H,1H,11H,11H-PERFLUORO-3,6,9-TRIOXAUNDECANE-1,11-DIOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	330562-44-2
Name:	1H,1H,11H,11H-PERFLUORO-3,6,9-TRIOXAUNDECANE-1,11-DIOL

Formula:	C₈H₆F₁₂O₅
Molecular Weight:	410.113
Synonyms:	AC1MCSOK;2,2'-{Oxybis[(1,1,2,2-tetrafluoroethane-2,1-diyl)oxy]}bis(2,2-difluoroethanol);1H,1H,11H,11H-Perfluoro-3,6,9-trioxaundecane-1,11-diol;Fluorinated tetraethylene glycol;2-[2-[2-(1,1-Difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol;
Density:	1.706 g/cm³
Melting Point:	40-42 °C
Boiling Point:	343.8 °C at 760 mmHg
Flash Point:	160 °C
Hazard Symbols:	Xi
PSA:	68.15000
LogP:	2.57760

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Specification

The Ethanol,2,2'-[oxybis[(1,1,2,2-tetrafluoro-2,1-ethanediyl)oxy]]bis[2,2-difluoro-, with the CAS registry number 330562-44-2, is also known as 1H,1H,11H,11H-Perfluoro-3,6,9-trioxaundecane-1,11-diol. This chemical's molecular formula is C₈H₆F₁₂O₅ and molecular weight is 410.11. What's more, its IUPAC name is 2-[2-[2-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol.

Physical properties of Ethanol,2,2'-[oxybis[(1,1,2,2-tetrafluoro-2,1-ethanediyl)oxy]]bis[2,2-difluoro- are: (1)ACD/LogP: 8.65; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.65; (4)ACD/LogD (pH 7.4): 8.65; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1216139.38; (8)ACD/KOC (pH 7.4): 1216135.38; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 46.15 Å²; (13)Index of Refraction: 1.331; (14)Molar Refractivity: 49.17 cm³; (15)Molar Volume: 240.3 cm³; (16)Polarizability: 19.49×10^-24cm³; (17)Surface Tension: 23.2 dyne/cm; (18)Density: 1.706 g/cm³; (19)Flash Point: 160 °C; (20)Enthalpy of Vaporization: 68.07 kJ/mol; (21)Boiling Point: 343.8 °C at 760 mmHg; (22)Vapour Pressure: 4.39E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(OC(C(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
(2)InChI: InChI=1S/C8H6F12O5/c9-3(10,1-21)23-5(13,14)7(17,18)25-8(19,20)6(15,16)24-4(11,12)2-22/h21-22H,1-2H2
(3)InChIKey: BFMDZOWJRVLYPB-UHFFFAOYSA-N