Trifluoroacetyl fluoride

Base Information

• Chemical Name: Trifluoroacetyl fluoride
• CAS No.: 354-34-7
• Molecular Formula: C2F4 O
• Molecular Weight: 116.015
• European Community (EC) Number: 206-558-3
• DSSTox Substance ID: DTXSID6059867
• Nikkaji Number: J26.717A
• Wikidata: Q72510759
• Mol file: 354-34-7.mol

Synonyms:Trifluoroacetyl fluoride;354-34-7;2,2,2-trifluoroacetyl fluoride;Perfluoroacetyl fluoride;Acetyl fluoride, trifluoro-;EINECS 206-558-3;Acetyl fluoride, 2,2,2-trifluoro-;C2F4O;CF3COF;Trifluoroacetic acid fluoride;SCHEMBL24543;Sodium monofluoroacetate 99%;DTXSID6059867;MFCD00042075;AKOS006230598;2,2,2-tris(fluoranyl)ethanoyl fluoride;FT-0654453;A822797;opanamide, 2-amino-n-(2,2,2-trifluoroethyl)-, hydrochloride (1:1), (2s)-

Chemical Property of Trifluoroacetyl fluoride

Chemical Property:

• Vapor Pressure: 211mmHg at 25°C
• Melting Point: -159.46°C
• Boiling Point: 11.6°Cat760mmHg
• Flash Point: °C
• PSA: 17.07000
• Density: 1.44g/cm³
• LogP: 1.04480
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 115.98852727
• Heavy Atom Count: 7
• Complexity: 82.2

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-Trifluoroacetyl fluoride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,T
• Statements: 26-35
• Safety Statements: 26-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: C(=O)(C(F)(F)F)F
• Uses: Trifluoroacetyl Fluoride is a chemical known to contribute to greenhouse gas CF4.

Technology Process of Trifluoroacetyl fluoride

There total 173 articles about Trifluoroacetyl 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: 62.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → polytetrafluoroethylene (116-14-3,82785-14-6) + Hexafluoropropene oxide (428-59-1,25038-02-2) + trifluoroacetyl fluoride (354-34-7) + 1,1,2,2,3,3-Hexafluoro-cyclopropane (931-91-9)

Guidance literature:

With oxygen; In tetrachloromethane; at 155 ℃; for 3h;

DOI:10.1021/op900151p

Reference yield: 45.0%

5-(pentafluoroethyl)-1,3,2,4-dioxathiazole 2-oxide (87050-99-5) → trifluoroacetyl fluoride (354-34-7) + pentafluoropropionitrile (422-04-8) + pentafluoroethyl isocyanate (356-74-1)

Guidance literature:

at 400 ℃;

DOI:10.1021/jo00169a059

Reference yield: 7.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → Hexafluoropropene oxide (428-59-1,25038-02-2) + trifluoroacetyl fluoride (354-34-7)

Guidance literature:

With oxygen; In various solvent(s); at 140 ℃;

upstream raw materials:

trifluoracetyl chloride

perfluoropropylene

acetyl fluoride

calcium bistrifluoroacetate

Downstream raw materials:

2,2,2-trifluoroethyl trifluoroacetate

hexafluoroisopropyl atrifluoroacetate

Trifluoro-acetic acid 2,2,2-trifluoro-1-methyl-1-trifluoromethyl-ethyl ester

F-tert.-Butyltrifluoracetat

Refernces

• 1、 Sargeant,P.B.,Krespan,C.G.. "-". . p. 415 - 419. Retrieved 1969.
• 2、 Clark, Wayne D.,Lagow, Richard J.. "THE DIRECT FLUORINATION OF ACETONE". . p. 37 - 43. Retrieved 1991.
• 3、 Olah et al.. "". . p. 4200,4204. Retrieved 1972.
• 4、 Mashino,Ninomiya,Kawasaki,Wallington,Hurley. "Atmospheric chemistry of CF3CF double bond CF2: Kinetics and mechanism of its reactions with OH radicals, Cl atoms, and ozone". . p. 7255 - 7260. Retrieved 2000.
• 5、 Middleton, William J.. "1,3,4-Dioxazol-2-ones: A Potentially Hazardous Class of Compounds". . p. 3845 - 3847. Retrieved 1983.
• 6、 Dyatkin,B.L. et al.. "-". . p. 423 - 433. Retrieved 1973.
• 7、 Zhou, Min,Ni, Chuanfa,Zeng, Yuwen,Hu, Jinbo. "Trifluoromethyl Benzoate: A Versatile Trifluoromethoxylation Reagent". supporting information. p. 6801 - 6805. Retrieved 2018/05/31.
• 8、 Cobos,Hintzer,S?lter,Tellbach,Thaler,Troe. "Shock wave studies of the pyrolysis of fluorocarbon oxygenates. I. The thermal dissociation of C3F6O and CF3COF". . p. 3151 - 3158. Retrieved 2017/08/17.