Pentafluoropropionyl fluoride

Base Information

• Chemical Name: Pentafluoropropionyl fluoride
• CAS No.: 422-61-7
• Molecular Formula: C3F6 O
• Molecular Weight: 166.023
• European Community (EC) Number: 207-019-5
• DSSTox Substance ID: DTXSID4059968
• Nikkaji Number: J196.092J
• Wikidata: Q81985271
• Mol file: 422-61-7.mol

Synonyms:Pentafluoropropionyl fluoride;422-61-7;Perfluoropropionyl fluoride;2,2,3,3,3-pentafluoropropanoyl fluoride;Propanoyl fluoride, pentafluoro-;EINECS 207-019-5;Propanoyl fluoride, 2,2,3,3,3-pentafluoro-;pentafluoropropanoyl fluoride;CF3CF2COF;C2F5COF;SCHEMBL428729;perfluoropropionic acid fluoride;DTXSID4059968;MFCD00042078;AKOS005063519;FT-0656423;2,2,3,3,3-pentakis(fluoranyl)propanoyl fluoride;A825828;(S)-2-AMINO-3-QUINOLIN-2-YL-PROPIONICACID

Chemical Property of Pentafluoropropionyl fluoride

Chemical Property:

• Vapor Pressure: 1560mmHg at 25°C
• Boiling Point: 5.3°Cat760mmHg
• Flash Point: °C
• PSA: 17.07000
• Density: 1.537g/cm³
• LogP: 1.68010
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 165.98533359
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C,T
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C(=O)(C(C(F)(F)F)(F)F)F
• Uses: Pentafluoropropionyl Fluoride is used as a reagent in the synthesis of perfluoroallyl fluorosulfate (FAFS) as a building block for fluoroallylic compounds.

Technology Process of Pentafluoropropionyl fluoride

There total 70 articles about Pentafluoropropionyl fluoride 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: 100.0%

2,2,3,3,3-pentafluoropropionyl chloride (422-59-3) → perfluoropropanoyl fluoride (422-61-7)

Guidance literature:

With sodium fluoride; In acetonitrile; at 70 ℃; for 2h; Reagent/catalyst;

DOI:10.1021/acs.jpca.6b00424

Reference yield: 96.0%

polytetrafluoroethylene (116-14-3,82785-14-6) + Carbonyl fluoride (353-50-4) → perfluoropropanoyl fluoride (422-61-7)

Guidance literature:

With potassium fluoride; sodium fluoride; at 800 ℃; for 0.00277778h; Temperature; Reagent/catalyst;

Reference yield: 93.0%

perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride (2641-34-1) → perfluoropropanoyl fluoride (422-61-7)

Guidance literature:

With Tetraethylene glycol dimethyl ether; cesium fluoride; at 160 ℃; for 15h; under 17251.7 Torr; Autoclave;

DOI:10.1016/j.cclet.2016.04.026

upstream raw materials:

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

perfluoropropylene

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

perfluoropropanesulfonic acid

Downstream raw materials:

1-fluoroxy heptafluoropropane

N-phenyl-pentafluoropropanamide

Pentafluoroethyl iodide

2,3,3,3-tetrafluoro-2-bromopropanoyl fluoride

Refernces

• 1、 Berrueta Martínez, Yanina,Reuter, Christian G.,Vishnevskiy, Yury V.,Bava, Yanina B.,Picone, A. Lorena,Romano, Rosana M.,Stammler, Hans-Georg,Neumann, Beate,Mitzel, Norbert W.,Della Védova, Carlos O.. "Structural Analysis of Perfluoropropanoyl Fluoride in the Gas, Liquid, and Solid Phases". . p. 2420 - 2430. Retrieved 2016.
• 2、 -. "Preparation method of perfluoronitrile". Paragraph 0053; 0054. . Retrieved 2018/09/08.
• 3、 -. "Method for preparing perfluorodipropionyl peroxide". Paragraph 0020; 0021. . Retrieved 2017/08/14.