Perfluorovaleric acid

Base Information

• Chemical Name: Perfluorovaleric acid
• CAS No.: 2706-90-3
• Molecular Formula: C5HF9O2
• Molecular Weight: 264.047
• Hs Code.: 29159000
• European Community (EC) Number: 220-300-7
• NSC Number: 18404
• UNII: LUW3UY784P
• DSSTox Substance ID: DTXSID6062599
• Nikkaji Number: J192.213K
• Wikidata: Q27156873
• Metabolomics Workbench ID: 74798
• ChEMBL ID: CHEMBL173263
• Mol file: 2706-90-3.mol

Synonyms:2,2,3,3,4,4,5,5,5-nonafluoropentanoate;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid;ammonium perfluoropentanoate;ammonium perfluorovalerate;azanium;nonafluoropentanoic acid;nonafluorovalerate;perfluoropentanoate;perfluoropentanoic acid;perfluorovaleric acid;PFPeA perfluoropentanoic acid;sodium perfluoropentanoate;sodium perfluorovalerate;sodium

Chemical Property of Perfluorovaleric acid

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 7.93mmHg at 25°C
• Refractive Index: n20/D 1.294(lit.)
• Boiling Point: 124.4 °C at 760 mmHg
• PKA: 0.40±0.10(Predicted)
• Flash Point: 29.1 °C
• PSA: 37.30000
• Density: 1.704 g/cm³
• LogP: 2.53920
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Partly soluble in water.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 263.98328273
• Heavy Atom Count: 16
• Complexity: 291

Purity/Quality:

98%,99%, ^*data from raw suppliers

NonafluoropentanoicAcid(50ug/mL) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
• Uses: Perfluoropentanoic acid is a short-chain perfluorocarboxylic acid (PFCA) generally used as an industrial surfactant and surface protector.

Technology Process of Perfluorovaleric acid

There total 21 articles about Perfluorovaleric 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: 96.0%

2-thienylhydrazide (2361-27-5) + perfluoropentanoic anhydride (308-28-1) → Perfluoropentanoic acid (2706-90-3) + N-(perfluoropentanoyl)-N'-(2-thiophenecarbonyl)hydrazide

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 20 ℃; Inert atmosphere;

Reference yield: 91.0%

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) + carbon dioxide (124-38-9,18923-20-1) → Perfluoropentanoic acid (2706-90-3)

Guidance literature:

With zinc copper; In various solvent(s); at -20 ℃;

DOI:10.1055/s-1991-26535

Reference yield:

2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid (4-nitro-phenyl)-amide (150333-62-3) → Perfluoropentanoic acid (2706-90-3) + 4-nitro-aniline (100-01-6,104810-17-5)

Guidance literature:

With buffer CO₃^2-; water; hydrogen carbonate; sodium chloride; In acetonitrile; at 25 ℃; Rate constant; also in the presence of β-cyclodextrin, other buffer;

DOI:10.1021/ja00118a005

upstream raw materials:

pentanoic anhydride

perfluoro-1-hexene

valeric acid

perfluoro-(1-pentylpiperidine)

Downstream raw materials:

2,2,3,3,4,4,5,5,5-nonafluoropentane-1,1-diol

perfluoropentanal

2,2,3,3,4,4,5,5,5-nonafluoropentanol

perfluorovaleryl chloride

Refernces

• 1、 Battais, A.,Boutevin, B.,Pietrasanta, Y.,Sierra, P.. "SYNTHESE D'ACIDES PERFLUORES DE HAUTS POIDS MOLECULAIRES". . p. 35 - 42. Retrieved 1982.
• 2、 Horikoshi, Satoshi,Sato, Susumu,Abe, Masahiko,Serpone, Nick. "A novel liquid plasma AOP device integrating microwaves and ultrasounds and its evaluation in defluorinating perfluorooctanoic acid in aqueous media". . p. 938 - 942. Retrieved 2011.
• 3、 Sansotera, Maurizio,Persico, Federico,Rizzi, Valentina,Panzeri, Walter,Pirola, Carlo,Bianchi, Claudia L.,Mele, Andrea,Navarrini, Walter. "The effect of oxygen in the photocatalytic oxidation pathways of perfluorooctanoic acid". . p. 159 - 168. Retrieved 2015.
• 4、 Lee, Taegweon,Landis, Chad A.,Dhar, Bal Mukund,Jung, Byung Jun,Sun, Jia,et al.. "Synthesis, structural characterization, and unusual field-effect behavior of organic transistor semiconductor oligomers: Inferiority of oxadiazole compared with other electron-withdrawing subunits". experimental part. p. 1692 - 1705. Retrieved 2009/07/25.