2-Bromo-2,3,3,3-tetrafluoropropanoyl fluoride

Base Information

• Chemical Name: 2-Bromo-2,3,3,3-tetrafluoropropanoyl fluoride
• CAS No.: 6129-62-0
• Molecular Formula: C3BrF5O
• Molecular Weight: 226.928
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID20371325
• Mol file: 6129-62-0.mol

Synonyms:6129-62-0;2-bromo-2,3,3,3-tetrafluoropropanoyl fluoride;2-Bromo-2,3,3,3-tetrafluoropropionyl fluoride;2-Bromotetrafluoropropionyl fluoride;2,3,3,3-tetrafluoro-2-bromopropionyl fluoride;SCHEMBL4856957;DTXSID20371325;GHRAJKIIZHDCNR-UHFFFAOYSA-N;MFCD00153724;AKOS007930002;FT-0611390;2-bromo-2,3,3,3-tetrafluoro-propanoyl fluoride;A833149;2-BROMO-2,3,3,3-TETRAFLUOROPROPIONYLFLUORIDE

Chemical Property of 2-Bromo-2,3,3,3-tetrafluoropropanoyl fluoride

Chemical Property:

• Refractive Index: 1.4800 (estimate)
• Boiling Point: 31 °C
• PSA: 17.07000
• Density: 1.8000 (rough estimate)
• LogP: 2.10550
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 225.90527
• Heavy Atom Count: 10
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-2,3,3,3-tetrafluoropropionyl fluoride 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-2,3,3,3-tetrafluoropropanoyl fluoride

There total 5 articles about 2-Bromo-2,3,3,3-tetrafluoropropanoyl 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: 94.0%

perfluoropropanoyl fluoride (422-61-7) → 2,3,3,3-tetrafluoro-2-bromopropanoyl fluoride (6129-62-0)

Guidance literature:

With triethyl-bromo-silane; pyrographite; -196 degC to RT;

DOI:10.1016/S0022-1139(00)80070-6

Reference yield: 90.0%

Hexafluoropropene oxide (428-59-1,25038-02-2) → 2,3,3,3-tetrafluoro-2-bromopropanoyl fluoride (6129-62-0)

Guidance literature:

With sodium bromide; In diethylene glycol dimethyl ether; for 4h; Cooling with ice;

Reference yield: 65.0%

2,3-dibromoperfluoropropyl fluorosulfate (95664-92-9) → 2,3,3,3-tetrafluoro-2-bromopropanoyl fluoride (6129-62-0)

Guidance literature:

With cesium fluoride; In diethylene glycol dimethyl ether; at 0 ℃;

DOI:10.1007/BF00960271

upstream raw materials:

perfluoropropanoyl fluoride

2,3-dibromoperfluoropropyl fluorosulfate

Hexafluoropropene oxide

diethylene glycol dimethyl ether

Downstream raw materials:

2-bromo-2,3,3,3-tetrafluoropropionic acid ethyl ester

polytetrafluoroethylene

1,1,1,2-tetrafluorobromoethane

1,1-dibromo-1,2,2,2-tetrafluoroethane

Refernces

• 1、 Lebedev,Berenblit,Starobin,Gubanov. "Pyrolytic decarboxylation of some derivatives of perfluorinated mono- and dicarboxylic acids". . p. 1640 - 1645. Retrieved 2007/10/03.
• 2、 Randolph, Bruce B.,DesMarteau, Darryl D.. "Synthesis of functionalized polyfluoroalkyl hypochlorites and fluoroxy compounds and their reactions with some fluoroalkenes". . p. 129 - 150. Retrieved 2007/10/02.