Perfluoropropionic acid

Base Information

• Chemical Name: Perfluoropropionic acid
• CAS No.: 422-64-0
• Molecular Formula: C3HF5O2
• Molecular Weight: 164.032
• Hs Code.: 29159080
• European Community (EC) Number: 207-021-6
• UNII: QB53AX6MW4
• DSSTox Substance ID: DTXSID8059970
• Nikkaji Number: J35.371J
• Wikipedia: Perfluoropropionic_acid
• Wikidata: Q66914279
• Mol file: 422-64-0.mol

Synonyms:Propanoicacid, pentafluoro- (9CI);Propionic acid, pentafluoro- (6CI,7CI,8CI);2,2,3,3,3-Pentafluoropropanoic acid;2,2,3,3,3-Pentafluoropropionic acid;Pentafluoropropanoic acid;Perfluoropropanoic acid;

Chemical Property of Perfluoropropionic acid

Chemical Property:

• Appearance/Colour: clear colourless to slightly brown liquid
• Vapor Pressure: ~40 mm Hg ( 20 °C)
• Refractive Index: n20/D 1.284(lit.)
• Boiling Point: 93.5 °C at 760 mmHg
• PKA: 0.38±0.10(Predicted)
• Flash Point: 10.3 °C
• PSA: 37.30000
• Density: 1.64 g/cm³
• LogP: 1.26860
• Storage Temp.: Store at RT.
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 163.98967008
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

98% ^*data from raw suppliers

Pentafluoropropionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: C(=O)(C(C(F)(F)F)(F)F)O
• Uses: Pentafluoropropionic acid is used as an efficient catalyst for the preparation of dibenzo[a, j] xanthenes by condensation reaction of beta-naphthol with aryl aldehydes. Pentafluoropropionic acid (Perfluoropropionic acid) was used in the analysis of gentamicin with Gemini column by liquid chromatographic (LC) methods.

Technology Process of Perfluoropropionic acid

There total 42 articles about Perfluoropropionic 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: 97.0%

sodium pentafluoropropionate (378-77-8) → pentafluoropropionic acid (422-64-0)

Guidance literature:

With sulfuric acid; at 120 ℃;

DOI:10.1016/S0022-1139(00)82053-9

Reference yield: 85.0%

pentafluoropropionic acid caesium salt → pentafluoropropionic acid (422-64-0)

Guidance literature:

With hydrogenchloride; for 1h;

DOI:10.1039/b205288c

Reference yield: 84.0%

pentafluoroethyl pentafluorophenyl ketone (52447-16-2) → pentafluoropropionic acid (422-64-0) + Pentafluorobenzene (363-72-4)

Guidance literature:

With water; potassium carbonate; at 80 ℃; for 3h;

DOI:10.1016/j.jfluchem.2021.109851

upstream raw materials:

HFC-227ca

1-chloro-1,2,2,3,3,3-hexafluoro-1-iodo-propane

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

1,1,1,2,2,4,4-heptafluoro-4-iodo-butane

Downstream raw materials:

perfluoropropionic acid methyl ester

ethyl Pentafluoropropionate

2-methyl-3,3,4,4,4-pentafluorobutan-2-ol

3,3,4,4,4-pentafluorobutan-2-one

Refernces

• 1、 Zonov, Yaroslav V.,Wang, Siqi,Karpov, Victor M.,Mezhenkova, Tatyana V.. "The aliphatic ring-opening and SNAr substitution in the reactions of perfluorobenzocycloalkenones with K2CO3 in water and methanol". . . Retrieved 2021/07/28.
• 2、 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 2015/11/10.