Methyl perfluorohexanoate

Base Information

• Chemical Name: Methyl perfluorohexanoate
• CAS No.: 424-18-0
• Molecular Formula: C7H3 F11 O2
• Molecular Weight: 328.082
• Hs Code.: 29159000
• European Community (EC) Number: 677-545-1
• DSSTox Substance ID: DTXSID20335700
• Nikkaji Number: J454.502H
• Wikidata: Q72494514
• Mol file: 424-18-0.mol

Synonyms:ammonium perfluorohexanoate;ammonium undecafluorohexanoate;APFHxA;Hexanoic acid, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-, ammonium salt;hexanoic acid, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-, methyl ester;methyl perfluorohexanoate;methyl undecafluorohexanoate;perfluorohexanoate;perfluorohexanoic acid;PFHxA perfluorohexanoic acid;sodium perfluorohexanoate;undecafluorohexanoatato

Chemical Property of Methyl perfluorohexanoate

Chemical Property:

• Vapor Pressure: 24.3mmHg at 25°C
• Refractive Index: 1.3039
• Boiling Point: 109.9°Cat760mmHg
• Flash Point: 20.8°C
• PSA: 26.30000
• Density: 1.579g/cm³
• LogP: 3.26290
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 5
• Exact Mass: 327.99573912
• Heavy Atom Count: 20
• Complexity: 383

Purity/Quality:

98%,99%, ^*data from raw suppliers

MethylPerfluorohexanoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F

MSDS Files:

Useful:

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

Technology Process of Methyl perfluorohexanoate

There total 1 articles about Methyl perfluorohexanoate 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:

methanol (67-56-1) + perfluorohexanoyl fluoride (355-38-4) → perfluorohexanoic acid methyl ester (424-18-0)

Guidance literature:

Reference yield: 86.0%

perfluorohexanoic acid methyl ester (424-18-0) → perfluorohexanol (423-46-1)

Guidance literature:

With carbonylchlorohydrido[bis(2-diphenylphosphinoethyl)amino]ruthenium(II); hydrogen; sodium methylate; In methanol; at 60 ℃; for 23h; under 7500.75 Torr; Temperature; Autoclave;

DOI:10.1039/c3ra43410a

Reference yield: 80.0%

perfluorohexanoic acid methyl ester (424-18-0) + acetone (67-64-1) → methyl-1 F-pentyl-3 propanedione-1,3 (75824-01-0)

Guidance literature:

With sodium hydride; In diethyl ether;

upstream raw materials:

methanol

perfluorohexanoyl fluoride

Downstream raw materials:

F-pentyl-1 phenyl-3 propanedione-1,3

2-(2,2,3,3,4,4,5,5,6,6,6-Undecafluoro-hexanoyl)-cyclohexanone

methyl-1 F-pentyl-3 propanedione-1,3

1,3-Dimethyl-5-undecafluoropentyl-1H-pyrazole