1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione

Base Information

• Chemical Name: 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione
• CAS No.: 2145-68-8
• Molecular Formula: C9H11 F5 O2
• Molecular Weight: 246.177
• Hs Code.: 2914700090
• European Community (EC) Number: 218-411-0
• DSSTox Substance ID: DTXSID30175730
• Nikkaji Number: J298.731G
• Wikidata: Q81985477
• Mol file: 2145-68-8.mol

Synonyms:2145-68-8;1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione;1,1,1,2,2-pentafluoro-6,6-dimethyl-3,5-heptanedione;6,6-Dimethyl-1,1,1,2,2-pentafluoroheptane-3,5-dione;1,1,1,2,2-Pentafluoro-6,6-dimethyl-3,5-heptane-dione;4H,4H-Perfluoro-6,6-dimethylheptane-3,5-dione;EINECS 218-411-0;SCHEMBL1120004;3,5-Heptanedione,1,1,1,2,2-pentafluoro-6,6-dimethyl-;DTXSID30175730;BBL101702;MFCD00045109;STL555498;AKOS007930502;FS-4272;FT-0634064;1,1,1,2,2-Pentafluor-6,6-dimethylheptan-3,5-dion;1,1,1,2,2-Pentafluoro-6,6-dimethylheptan-3,5-dione

Chemical Property of 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione

Chemical Property:

• Vapor Pressure: 0.581mmHg at 25°C
• Boiling Point: 65°C 30mm
• PKA: 6.62±0.46(Predicted)
• Flash Point: 69.6°C
• PSA: 34.14000
• Density: 1.238g/cm³
• LogP: 2.75840
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 246.06792040
• Heavy Atom Count: 16
• Complexity: 298

Purity/Quality:

98%min ^*data from raw suppliers

1,1,1,2,2-Pentafluoro-6,6-dimethyl-3,5-heptanedione ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione

There total 1 articles about 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione 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:

3,3-dimethyl-butan-2-one (75-97-8) + perfluoropropionic acid methyl ester (378-75-6) → 1,1,1,2,2-pentafluoro-6,6-dimethylheptane-3,5-dione (2145-68-8)

Guidance literature:

With sodium methylate; In diethyl ether;

DOI:10.1021/jo01029a042

upstream raw materials:

3,3-dimethyl-butan-2-one

perfluoropropionic acid methyl ester