3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanal

Base Information

• Chemical Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanal
• CAS No.: 56734-81-7
• Molecular Formula: C8H3 F13 O
• Molecular Weight: 362.09
• Hs Code.: 2912190090
• DSSTox Substance ID: DTXSID20895379
• Nikkaji Number: J601.171C
• Wikidata: Q82871584
• Mol file: 56734-81-7.mol

Synonyms:3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanal;56734-81-7;2h,2h-perfluorooctanal;1H,1H,2H-PERFLUOROOCTANAL;2-(PERFLUORO-N-HEXYL)ACETALDEHYDE;1H,2H,2H-Perfluorooctanal;6:2 Fluorotelomer aldehyde;6:2 FTAL;SCHEMBL7733673;DTXSID20895379;WJSFZGPTEQNWCB-UHFFFAOYSA-N;2-(Tridecafluorohexyl)acetaldehyde;2-(perfluoro-n-hexyl) acetaldehyde;MFCD00156024;AKOS016016007

Chemical Property of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanal

Chemical Property:

• Boiling Point: 80°C
• PSA: 17.07000
• Density: 1.581±0.06 g/cm3(Predicted)
• LogP: 4.31420
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 361.9976308
• Heavy Atom Count: 22
• Complexity: 420

Purity/Quality:

98%Min ^*data from raw suppliers

1H,2H,2H-Perfluorooctanal ^*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(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanal

There total 15 articles about 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanal 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: 83.0%

1-Methoxy-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-isobutoxy-octylsulfanyl)-benzene (135984-60-0) → 2H,2H-tridecafluoro-octanal (56734-81-7)

Guidance literature:

With N-Bromosuccinimide; In water; acetonitrile; for 0.166667h;

DOI:10.1016/S0040-4039(00)92713-8

Reference yield:

1H,1H,2H,2H-tridecafluoro-n-octanol (647-42-7) → Carbonyl fluoride (353-50-4) + perfluoroheptanoic acid (375-85-9) + 2H,2H-tridecafluoro-octanal (56734-81-7) + 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid (53826-12-3)

Guidance literature:

With air; chlorine; at 22.85 ℃; under 750 Torr; Product distribution; UV-irradiation;

DOI:10.1021/es049860w

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + n-perfluorohexyl iodide (355-43-1) → 2H,2H-tridecafluoro-octanal (56734-81-7) + Acetic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl ester (37858-03-0) + 1,4-bis(perfluorohexyl)butan-2,3-diol diacetate (80705-17-5) + Acetic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodo-octyl ester (142502-58-7)

Guidance literature:

With zinc; In neat (no solvent); at 25 ℃; for 5h;

DOI:10.1016/S0040-4039(00)92222-6

upstream raw materials:

n-perfluorohexyl iodide

ethyl vinyl ether

vinyl acetate

1-Methoxy-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-isobutoxy-octylsulfanyl)-benzene

Downstream raw materials:

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid

1H,1H,2H,2H-tridecafluoro-n-octanol