3-Hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-

Base Information

• Chemical Name: 3-Hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-
• CAS No.: 813-45-6
• Molecular Formula: C7F14O
• Molecular Weight: 366.054
• European Community (EC) Number: 858-074-2
• DSSTox Substance ID: DTXSID00880147
• Nikkaji Number: J953.677I
• Wikidata: Q83128763

Synonyms:813-45-6;1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-3-hexanone;3-Hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-;SCHEMBL942872;Perfluoro-2-methylhexan-3-one;DTXSID00880147;1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hexan-3-one;1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-trifluoromethylhexan-3-one

Chemical Property of 3-Hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 3
• Exact Mass: 365.9725589
• Heavy Atom Count: 22
• Complexity: 422

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-

There total 2 articles about 3-Hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)- 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: 99.9%

→ 2H-undecafluoro-2-trifluoromethyl-hexan-3-one (813-45-6)

Guidance literature:

Reference yield:

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + perfluorobutyryl fluoride (335-42-2) → 2H-undecafluoro-2-trifluoromethyl-hexan-3-one (813-45-6)

Guidance literature:

With potassium hydrogen bifluoride; In acetonitrile;

DOI:10.1021/ja00881a018

Reference yield: 6.1%

diethyl sulfate (64-67-5) + 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one (813-44-5) + 2H-undecafluoro-2-trifluoromethyl-hexan-3-one (813-45-6) → (CF3)2CFCF(OC2H5)CF(CF3)2 (1032934-86-3)

Guidance literature:

With potassium fluoride; Adogen 464; In 1,2-dimethoxyethane; at 52 ℃; for 89h;

upstream raw materials:

perfluoropropylene

perfluorobutyryl fluoride

Downstream raw materials:

(CF₃)2CFCF(OC₂H₅)CF(CF₃)2

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