Bis(perfluoroisopropyl)ketone

Base Information

• Chemical Name: Bis(perfluoroisopropyl)ketone
• CAS No.: 813-44-5
• Molecular Formula: C7F14 O
• Molecular Weight: 366.054
• Hs Code.: 2914700090
• European Community (EC) Number: 212-384-9
• UN Number: 2810
• DSSTox Substance ID: DTXSID4074855
• Nikkaji Number: J26.178E
• Wikidata: Q81985408
• Mol file: 813-44-5.mol

Synonyms:Bis(perfluoroisopropyl)ketone;813-44-5;Bis(heptafluoroisopropyl)ketone;1,1,1,2,4,5,5,5-Octafluoro-2,4-bis(trifluoromethyl)pentan-3-one;Bis(perfluorisopropyl) ketone;EINECS 212-384-9;3-Pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-;perfluoroisopropyl ketone;bis(perfluoroisopropyl) ketone;SCHEMBL982803;Bis(perfluoroisopropyl)methanone;DTXSID4074855;(CF3)2CFC(O)CF(CF3)2;MFCD00042087;AKOS007930708;tert-Butyl 2-oxo-1-pyrrolidinecarboxylat;FT-0623068;A26567;1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-3-pentanone

Chemical Property of Bis(perfluoroisopropyl)ketone

Chemical Property:

• Vapor Pressure: 117mmHg at 25°C
• Boiling Point: 72 °C
• Flash Point: 72-73°C
• PSA: 17.07000
• Density: 1.661
• LogP: 4.22130
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 2
• Exact Mass: 365.9725589
• Heavy Atom Count: 22
• Complexity: 364
• Transport DOT Label: Poison

Purity/Quality:

98%min ^*data from raw suppliers

Bis(heptafluoroisopropyl)ketone 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bis(perfluoroisopropyl)ketone

There total 5 articles about Bis(perfluoroisopropyl)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: 97.2%

Carbonyl fluoride (353-50-4) + perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one (813-44-5)

Guidance literature:

With nickel(II) fluoride; 18-crown-6 ether; In acetonitrile; at 90 ℃; for 10h; Autoclave;

Reference yield: 96.1%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + perfluoroisobutyryl fluoride (677-84-9) → 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one (813-44-5)

Guidance literature:

With iron(III) trifluoride; 18-crown-6 ether; In acetonitrile; at 90 ℃; for 10h; Autoclave; Large scale;

Reference yield: 77.0%

Carbonyl fluoride (353-50-4) + perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → perfluoroisobutyryl fluoride (677-84-9) + 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one (813-44-5)

Guidance literature:

at 190 ℃; for 14h;

upstream raw materials:

oxalyl dichloride

perfluoropropylene

Carbonyl fluoride

perfluoroisobutyryl fluoride

Downstream raw materials:

1,1,1,2,3,3,3-Heptafluoropropane

Perfluor-2,3-dimethyl-2-butanol

(CF₃)2CFCF(OC₂H₅)CF(CF₃)2

C₈H₁₀F₇NO

Refernces

• 1、 -. "Lithium sulfur battery". . . Retrieved 2012/09/05.