Perfluorohexanoyl fluoride

Base Information

• Chemical Name: Perfluorohexanoyl fluoride
• CAS No.: 355-38-4
• Molecular Formula: C6F12O
• Molecular Weight: 316.046
• Hs Code.: 2915900090
• European Community (EC) Number: 206-582-4
• DSSTox Substance ID: DTXSID0059877
• Nikkaji Number: J193.842H
• Wikidata: Q72500544
• Mol file: 355-38-4.mol

Synonyms:Perfluorohexanoyl fluoride;Undecafluorohexanoyl fluoride;355-38-4;PERFLUOROHEXANOYL FLUORIDE 98;2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoyl fluoride;Hexanoyl fluoride, undecafluoro-;EINECS 206-582-4;Hexanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-;Perfluorohexanoylfluoride;SCHEMBL428315;C6F12O;DTXSID0059877;MFCD08458179;AKOS016015481;AS-81691;U0075;E78938

Chemical Property of Perfluorohexanoyl fluoride

Chemical Property:

• Vapor Pressure: 96.4mmHg at 25°C
• Refractive Index: 1.264
• Boiling Point: 77.5 °C at 760 mmHg
• Flash Point: 18 °C
• PSA: 17.07000
• Density: 1.66 g/cm³
• LogP: 3.58600
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 315.9757526
• Heavy Atom Count: 19
• Complexity: 365

Purity/Quality:

98% ^*data from raw suppliers

Undecafluorohexanoyl Fluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F

Technology Process of Perfluorohexanoyl fluoride

There total 17 articles about Perfluorohexanoyl fluoride 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: 73.0%

2,2,3,3,4,4,5,5,6,6,6-Undecafluoro-hexanoic acid 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-1-trifluoromethyl-decyl ester (210972-72-8) → perfluorohexanoyl fluoride (355-38-4)

Guidance literature:

at 182 - 224 ℃;

DOI:10.1021/ja980727b

Reference yield: 26.2%

7-oxabicyclo(2.2.1)heptane (279-49-2) → perfluoropentane (678-26-2) + perfluorohexanoyl fluoride (355-38-4) + perfluoro(2-ethyltetrahydrofuran) (356-48-9)

Guidance literature:

With fluorine; at -120 - 20 ℃; for 336h; Yields of byproduct given;

DOI:10.1021/jo00236a016

Reference yield:

cyclohexanol (108-93-0) → perfluoropentane (678-26-2) + perfluorohexanoyl fluoride (355-38-4) + perfluorocyclohexane (355-68-0)

Guidance literature:

With fluorine; Yields of byproduct given; -120 deg C to r.t.;

upstream raw materials:

dihexyl ether

hexanoic acid

7-oxabicyclo(2.2.1)heptane

perfluoro-2-octene

Downstream raw materials:

perfluorohexanoic acid methyl ester

Perfluorhexanamid

Refernces

• 1、 -. "FLUORINE-CONTAINING ETHER COMPOUND". Page/Page column 11-12. . Retrieved 2008/06/13.
• 2、 Murata,Kawa,Lagow. "The thermal decomposition of perfluoroesters [9]". . p. 7117 - 7118. Retrieved 2007/10/03.