(Perfluoro-n-octyl)ethane

Base Information

• Chemical Name: (Perfluoro-n-octyl)ethane
• CAS No.: 77117-48-7
• Molecular Formula: C10H5 F17
• Molecular Weight: 448.123
• Hs Code.: 2903399090
• European Community (EC) Number: 288-349-7
• DSSTox Substance ID: DTXSID90880979
• Nikkaji Number: J685.813I
• Wikidata: Q72500608
• Mol file: 77117-48-7.mol

Synonyms:(Perfluoro-n-octyl)ethane;77117-48-7;EPFO;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorodecane;Ethylheptadecafluorooctane;BRN 2015966;EINECS 288-349-7;85711-89-3;DECANE, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-HEPTADECAFLUORO-;C10-H5-F17;1H,1H,1H,2H,2H-Perfluorodecane;C10H5F17;1-(Perfluorooctyl)ethane;SCHEMBL61577;DTXSID90880979;MFCD00236711;AKOS015852767;1H,1H,1H,2H,2H-Perfluoro-N-decane;LS-59333;FT-0676345;9H,9H,10H,10H,10H-heptadecafluoro-decane

Chemical Property of (Perfluoro-n-octyl)ethane

Chemical Property:

• Melting Point: -37.7 °C
• Refractive Index: 1.300
• Boiling Point: 77℃/50mm
• PSA: 0.00000
• Density: 1.654
• LogP: 6.40580
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 7
• Exact Mass: 448.0119789
• Heavy Atom Count: 27
• Complexity: 538

Purity/Quality:

99% ^*data from raw suppliers

(Perfluoro-N-octyl)ethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of (Perfluoro-n-octyl)ethane

There total 2 articles about (Perfluoro-n-octyl)ethane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

1H,1H,2H-perfluorodecene (21652-58-4) → perfluorooctyl-ethane (77117-48-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In diethyl ether; at 25 ℃; for 6h; under 750.06 Torr; ultrasound;

DOI:10.1016/j.jfluchem.2005.07.006

Reference yield:

C34H16F56P(1+)*I(1-) → perfluorooctyl-ethane (77117-48-7) + C26H12F43OP + (perfluoro-n-hexyl)ethane (80793-17-5) + 8-[Bis-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-phosphinoyl]-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-octane

Guidance literature:

With water; potassium hydroxide; In perfluoroperhydrophenanthrene; at 20 ℃; for 24h; pH=13;

DOI:10.1039/b9nj00696f

Reference yield: 84.0%

perfluorooctyl-ethane (77117-48-7) + bis(pinacol)diborane (73183-34-3) → 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) + 2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Guidance literature:

(η5-pentamethylcyclopentadienyl)(η6-hexamethylbenzene)rhodium(I); In neat (no solvent); for 24 h at 150°C; various product yields for various conditions;

DOI:10.1021/ja044933x

upstream raw materials:

1H,1H,2H-perfluorodecene

Downstream raw materials:

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

Refernces

• 1、 Ariyasingha, Nuwandi M.,Chekmenev, Eduard Y.,Chukanov, Nikita V.,Gelovani, Juri G.,Joalland, Baptiste,Koptyug, Igor V.,Kovtunov, Kirill V.,Nantogma, Shiraz,Salnikov, Oleg G.,Younes, Hassan R.. "Low-Flammable Parahydrogen-Polarized MRI Contrast Agents". . p. 2774 - 2781. Retrieved 2021/01/18.
• 2、 Puy, Michael Van Der,Poss, Andrew J.,Persichini, Phillip J.,Ellis, Lois A. S.. "Estimation of hydrocarbon solubilities in hydrofluorocarbons". . p. 215 - 224. Retrieved 2007/10/02.