2H,2H,3H,3H-Perfluorodecanoic acid

Base Information

• Chemical Name: 2H,2H,3H,3H-Perfluorodecanoic acid
• CAS No.: 812-70-4
• Molecular Formula: C₁₀H₅F₁₅O₂
• Molecular Weight: 442.125
• Hs Code.: 2915900090
• European Community (EC) Number: 696-430-7
• DSSTox Substance ID: DTXSID90382620
• Nikkaji Number: J2.499.009E
• Wikidata: Q63408680
• Mol file: 812-70-4.mol

Synonyms:812-70-4;2H,2H,3H,3H-Perfluorodecanoic acid;4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic Acid;73FTA;7:3 FTCA;3-Perfluoroheptylpropanoic acid;SCHEMBL1827086;DTXSID90382620;3-(Perfluoroheptyl)propanoic acid;CHEBI:177067;MFCD00236698;1H,1H,2H,2H-Perfluorodecanoic acid;AKOS025310477;2H,2H,3H,3H-Pentadecafluorodecanoic acid 97%;A840082;Q63408680;4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecaluorodecanoic acid;4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecakis(fluoranyl)decanoic acid

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

Chemical Property:

• Vapor Pressure: 0.0243mmHg at 25°C
• Refractive Index: 1.31
• Boiling Point: 229.8°C at 760 mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 92.8°C
• PSA: 37.30000
• Density: 1.635g/cm³
• LogP: 5.22530
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 442.0050018
• Heavy Atom Count: 27
• Complexity: 561

Purity/Quality:

99% ^*data from raw suppliers

3-PerfluoroheptylPropanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 6 articles about 2H,2H,3H,3H-Perfluorodecanoic 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:

perfluoroheptyl iodide (335-58-0) → 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid (812-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) AcOEt, (ii) HCl, Zn, EtOH

2: aq. KOH / ethanol

With potassium hydroxide; In ethanol;

DOI:10.1021/jo01059a090

Reference yield:

trans-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluordecen(2)-saeure (56017-63-1) → 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid (812-70-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 15h;

Reference yield:

1H,1H,2H-pentadecafluoro-1t-iodo-non-1-ene (56017-61-9) → 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid (812-70-4)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylformamide / 15 h / 110 °C

2: aq. H₂SO₄ / 15 h / 120 °C

3: H₂ / Pd-C / ethanol / 15 h

With sulfuric acid; hydrogen; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

trans-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluordecen⁽²⁾-saeure

4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluor-decansaeure-⁽¹⁾-ethylester

perfluoroheptyl iodide

1H,1H,2H-pentadecafluoro-1t-iodo-non-1-ene

Downstream raw materials:

1H,1H,2H,2H,3H,3H-Pentadecafluordecanol