2H,2H,3H,3H-Perfluorooctanoic acid

Base Information

• Chemical Name: 2H,2H,3H,3H-Perfluorooctanoic acid
• CAS No.: 914637-49-3
• Molecular Formula: C₈H₅F₁₁O₂
• Molecular Weight: 342.109
• Hs Code.: 2915900090
• European Community (EC) Number: 811-572-3
• DSSTox Substance ID: DTXSID20874028
• Nikkaji Number: J2.811.863E
• Wikidata: Q63391565
• Mol file: 914637-49-3.mol

Synonyms:2H,2H,3H,3H-Perfluorooctanoic acid;914637-49-3;4,4,5,5,6,6,7,7,8,8,8-undecafluorooctanoic acid;53FTA;5:3 FTCA;n:2 FTCAs n=5;5:2 FTCA;SCHEMBL1828702;DTXSID20874028;ABFCFCPCGMHSRX-UHFFFAOYSA-N;CHEBI:177062;MFCD08460490;AKOS016015949;5:3 FLUOROTELOMER CARBOXYLIC ACID;MS-20351;PD167685;NS00011090;G73970;4,4,5,5,6,6,7,7,8,8,8-undecaluorooctanoic acid;Q63391565;4,4,5,5,6,6,7,7,8,8,8-Undecafluoro-octanoic Acid;4,4,5,5,6,6,7,7,8,8,8-Undecafluorooctanoic Acid

Chemical Property of 2H,2H,3H,3H-Perfluorooctanoic acid

Chemical Property:

• Boiling Point: 199.0±35.0 °C(Predicted)
• PKA: 4.18±0.10(Predicted)
• PSA: 37.30000
• Density: 1.588±0.06 g/cm3(Predicted)
• LogP: 3.95470
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 342.01138918
• Heavy Atom Count: 21
• Complexity: 398

Purity/Quality:

99%, ^*data from raw suppliers

2H,2H,3H,3H-PerfluorooctanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2H,2H,3H,3H-Perfluorooctanoic acid

There total 3 articles about 2H,2H,3H,3H-Perfluorooctanoic acid 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:

(F-hexanoylcarbethoxymethylene)triphenylphosphorane → 3-(F-pentyl)propanoic acid (914637-49-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / 150 - 220 °C / 20 Torr

2: 92 percent / H₂ / Pd/C

With hydrogen; palladium on activated charcoal;

DOI:10.1021/jm00166a028

Reference yield:

3-F-pentylpropynoate d'ethyle (117643-84-2) → 3-(F-pentyl)propanoic acid (914637-49-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / H₂ / Pd/C

With hydrogen; palladium on activated charcoal;

DOI:10.1021/jm00166a028

Reference yield:

4,4,5,5,6,6,7,7,8,8,8-Undecafluoro-octanoic acid ethyl ester → 3-(F-pentyl)propanoic acid (914637-49-3)

Guidance literature:

Yield given;

DOI:10.1021/jm00166a028

upstream raw materials:

3-F-pentylpropynoate d'ethyle

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