3,3,4,4,5,5,5-Heptafluoropentanal

Base Information

• Chemical Name: 3,3,4,4,5,5,5-Heptafluoropentanal
• CAS No.: 126015-32-5
• Molecular Formula: C₅H₃F₇O
• Molecular Weight: 212.067
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90382140
• Nikkaji Number: J2.069.801B
• Wikidata: Q82173455
• Mol file: 126015-32-5.mol

Synonyms:3,3,4,4,5,5,5-heptafluoropentanal;126015-32-5;Pentanal, 3,3,4,4,5,5,5-heptafluoro-;methylnonafluorobutylether;SCHEMBL5636882;DTXSID90382140;FNUBKINEQIEODM-UHFFFAOYSA-N;MFCD00082620;AKOS007930546;FT-0714509;3,3,4,4,5,5,5-heptakis(fluoranyl)pentanal;EN300-1933474;A805457

Chemical Property of 3,3,4,4,5,5,5-Heptafluoropentanal

Chemical Property:

• Boiling Point: 89-90°C
• PSA: 17.07000
• Density: 1.445±0.06 g/cm3(Predicted)
• LogP: 2.40830
• Sensitive.: Air Sensitive
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 212.00721185
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

97% ^*data from raw suppliers

3,3,4,4,5,5,5-HEPTAFLUOROPENTANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3,4,4,5,5,5-Heptafluoropentanal

There total 1 articles about 3,3,4,4,5,5,5-Heptafluoropentanal 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: 80.0%

1-butoxy-3,3,4,4,5,5,5-heptafluoro-1-pentene (126015-30-3,126015-40-5) → 3,3,4,4,5,5,5-Heptafluoro-pentanal (126015-32-5) + 5,5-Dibutoxy-1,1,1,2,2,3,3-heptafluoro-pentane (126015-33-6)

Guidance literature:

With hydrogenchloride; at 50 ℃; for 5h;

Reference yield:

3,3,4,4,5,5,5-Heptafluoro-pentanal (126015-32-5) → C11H6F7N4O4(1-)*Na(1+)

Guidance literature:

Multi-step reaction with 2 steps

1: Heating

2: sodium hydride / acetonitrile

With sodium hydride; In acetonitrile;

upstream raw materials:

1-butoxy-3,3,4,4,5,5,5-heptafluoro-1-pentene