4,4,5,5,6,6,6-Heptafluorohexan-2-one

Base Information

• Chemical Name: 4,4,5,5,6,6,6-Heptafluorohexan-2-one
• CAS No.: 136909-72-3
• Molecular Formula: C6H5F7O
• Molecular Weight: 226.09
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80382139
• Wikidata: Q81985898
• Mol file: 136909-72-3.mol

Synonyms:4,4,5,5,6,6,6-heptafluorohexan-2-one;136909-72-3;4,4,5,5,6,6,6-heptafluoro-2-hexanone;3-(Perfluoropropyl)-2-propanone;2-Hexanone, 4,4,5,5,6,6,6-heptafluoro-;SCHEMBL497556;DTXSID80382139;HXAYZDVVQAKLDA-UHFFFAOYSA-N;MFCD00153185;AKOS007930576;EN300-1602952;4,4,5,5,6,6,6-heptakis(fluoranyl)hexan-2-one;A807161

Chemical Property of 4,4,5,5,6,6,6-Heptafluorohexan-2-one

Chemical Property:

• Refractive Index: 1.304
• Boiling Point: 92.8°Cat760mmHg
• Flash Point: 25.5°C
• PSA: 17.07000
• Density: 1.387g/cm³
• LogP: 2.79840
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 226.02286191
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

4,4,5,5,6,6,6-HEPTAFLUOROHEXAN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4,5,5,6,6,6-Heptafluorohexan-2-one

There total 3 articles about 4,4,5,5,6,6,6-Heptafluorohexan-2-one 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: 37.3%

Isopropenyl acetate (108-22-5) + heptafluorobutyric Acid (375-22-4) → Heptafluoropropylacetone (136909-72-3) + (Z)-4,5,5,6,6,6-Hexafluoro-hex-3-en-2-one (136933-36-3)

Guidance literature:

With potassium hydroxide; In acetone; Mechanism; electrolysis; other perfluorocarboxylic acids;

DOI:10.1007/BF00961239

Reference yield: 2.9%

Isopropenyl acetate (108-22-5) + heptafluorobutyric Acid (375-22-4) → Heptafluoropropylacetone (136909-72-3) + Acetic acid 3,3,4,4,5,5,5-heptafluoro-1-methyl-pentyl ester (136909-75-6) + Acetic acid 3,3,4,4,5,5,5-heptafluoro-1-methylene-pentyl ester (136909-80-3) + (Z)-4,5,5,6,6,6-Hexafluoro-hex-3-en-2-one (136933-36-3)

Guidance literature:

With potassium hydroxide; In acetone; electrolysis;

DOI:10.1007/BF00961239

Reference yield:

Isopropenyl acetate (108-22-5) + heptafluorobutyric Acid (375-22-4) → Heptafluoropropylacetone (136909-72-3) + Acetic acid 3,3,4,4,5,5,5-heptafluoro-1-methyl-pentyl ester (136909-75-6) + Acetic acid 3,3,4,4,5,5,5-heptafluoro-1-methylene-pentyl ester (136909-80-3)

Guidance literature:

Yield given; electrolysis, platinum or glasscarbon electrodes;

DOI:10.1016/S0022-1139(00)83812-9

upstream raw materials:

Isopropenyl acetate

heptafluorobutyric Acid