Pentafluoroethyl ethyl ketone

Base Information

• Chemical Name: Pentafluoroethyl ethyl ketone
• CAS No.: 378-72-3
• Molecular Formula: C5H5 F5 O
• Molecular Weight: 176.086
• Hs Code.: 2914700090
• European Community (EC) Number: 812-804-6
• NSC Number: 42604
• DSSTox Substance ID: DTXSID30958843
• Nikkaji Number: J1.698.483C
• Wikidata: Q82939379
• Mol file: 378-72-3.mol

Synonyms:Pentafluoroethyl ethyl ketone;378-72-3;1,1,1,2,2-pentafluoropentan-3-one;Ethyl pentafluoroethyl ketone;PENTAFLUOROETHYLETHYLKETONE;Ethyl pentafluoroethyl ethyl ketone;NSC42604;1,1,1,2,2-Pentafluoro-3-oxopentane;HFK-465mc;SCHEMBL811057;DTXSID30958843;BBL101653;MFCD00053172;NSC-42604;STL555449;AKOS006227574;MS-20245;FT-0676868;A823912

Chemical Property of Pentafluoroethyl ethyl ketone

Chemical Property:

• Vapor Pressure: 160mmHg at 25°C
• Refractive Index: 1.3905
• Boiling Point: 65°Cat760mmHg
• Flash Point: 11.7°C
• PSA: 17.07000
• Density: 1.299g/cm³
• LogP: 2.16310
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 176.02605559
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

98%min ^*data from raw suppliers

PentafluoroethylEthylKetone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentafluoroethyl ethyl ketone

There total 3 articles about Pentafluoroethyl ethyl ketone 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:

ethane (74-84-0) + 2,2,3,3,3-pentafluoropropanoic anhydride (356-42-3) → 1,1,1,2,2-pentafluoropentan-3-one (378-72-3) + ethyl Pentafluoropropionate (426-65-3) + C6H5F5O3 + 2,2,3,3,3-pentafluoro-propionic acid 1-(2,2,3,3,3-pentafluoro-propionyloxy)-ethyl ester

Guidance literature:

With tetraethyllead(IV); at 80 - 90 ℃; for 17h; under 51714.8 Torr; Further byproducts given;

DOI:10.1021/ja964068j

Reference yield:

ethylmagnesium iodide (10467-10-4) + pentafluoropropionitrile (422-04-8) → 1,1,1,2,2-pentafluoropentan-3-one (378-72-3)

Guidance literature:

With diethyl ether; anschliessend Behandeln mit 20prozent ig. wss.Schwefelsaeure;

DOI:10.1021/ja01609a035

Reference yield:

pentafluoropropionic acid (422-64-0) + ethylmagnesium bromide (925-90-6) → 1,1,1,2,2-pentafluoropentan-3-one (378-72-3)

Guidance literature:

With dibutyl ether;

DOI:10.1021/ja01591a065

upstream raw materials:

ethylmagnesium iodide

pentafluoropropionitrile

pentafluoropropionic acid

ethylmagnesium bromide

Refernces