Bromopentafluoroethane

Base Information

• Chemical Name: Bromopentafluoroethane
• CAS No.: 354-55-2
• Molecular Formula: C2BrF5
• Molecular Weight: 198.918
• Hs Code.: 2903799090
• European Community (EC) Number: 206-563-0
• UNII: HET934WWC8
• DSSTox Substance ID: DTXSID90188881
• Nikkaji Number: J193.830D
• Wikidata: Q27279892
• ChEMBL ID: CHEMBL447663
• Mol file: 354-55-2.mol

Synonyms:Bromopentafluoroethane;354-55-2;1-bromo-1,1,2,2,2-pentafluoroethane;Ethane, bromopentafluoro-;UNII-HET934WWC8;HET934WWC8;EINECS 206-563-0;perfluoroethyl bromide;C2BrF5;C2-Br-F5;SCHEMBL719709;PENTAFLUOROETHYL BROMIDE;CHEMBL447663;DTXSID90188881;MFCD00042076;Bromopentafluoroethane (CFC-115B1);AKOS006230583;1-bromo-1,1,2,2,2-pentafluoro-ethane;FT-0623255;EN300-1937604;ETHANE, 1-BROMO-1,1,2,2,2-PENTAFLUORO-;Q27279892

Chemical Property of Bromopentafluoroethane

Chemical Property:

• Vapor Pressure: 3060mmHg at 25°C
• Refractive Index: 1.2966
• Boiling Point: -21°C
• PSA: 0.00000
• Density: 1.948 g/cm³
• LogP: 2.53640
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 197.91035
• Heavy Atom Count: 8
• Complexity: 82.9

Purity/Quality:

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

Bromopentafluoroethane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-36/37/39-38

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bromopentafluoroethane

There total 33 articles about Bromopentafluoroethane 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: 83.0%

sodium pentafluoropropionate (378-77-8) → bromopentafluoroethane (354-55-2)

Guidance literature:

With bromine(I) fluorosulfate; for 5h;

DOI:10.1016/S0022-1139(00)85149-0

Reference yield: 41.0%

antimony dichloride trifluoride (7791-16-4) + 2-nitro-1-bromo-tetrafluoroethane (422-66-2) → bromopentafluoroethane (354-55-2) + nitrylfluoride (10022-50-1)

Guidance literature:

byproducts: CO2, NOF, COF2; at 160°C 4 h;

Reference yield: 24.0%

1,1'-dichloro-2,2'-difluoroethene (79-35-6) → bromopentafluoroethane (354-55-2) + Hexafluoroacetone (684-16-2) + Fluorosulfuric acid 2-bromo-2,2-dichloro-1,1-difluoro-ethyl ester + 2-(2-Bromo-2,2-dichloro-1,1-difluoro-ethoxy)-1,1,1,3,3,4,4,4-octafluoro-2-trifluoromethyl-butane

Guidance literature:

With bromine(I) fluorosulfate; C₅BrF₁₁O; at -80 - 25 ℃; for 12h; Title compound not separated from byproducts;

DOI:10.1016/0022-1139(96)03400-8

upstream raw materials:

1,1,1,2,2-pentafluoroethane

Pentafluoroethyl iodide

2,2,3,3,3-pentafluoropropionamide

pentafluoropropionic acid

Downstream raw materials:

pentafluoropropionic acid

Hexafluoroethane

trifluoromethanesulfonate de pentafluoroethyle

phenyl pentafluoroethyl sulfide

Refernces

• 1、 Shack, Carl J.,Christe, K. O.. "HALOGEN FLUOROSULFATE REACTIONS WITH FLUOROCARBONS". . p. 63 - 74. Retrieved 1980.
• 2、 Bardin, Vadim V.,Adonin, Nicolay Yu.,Frohn, Hermann-Josef. "Reactions of perfluorinated alkenyl-, alkynyl-, alkyltrifluoroborates, and selected hydrocarbon analogues with the halogenating agents Hal2 (Hal = F, Cl, Br), "brF" (BrF3-Br2 1:1), and ICl". experimental part. p. 565 - 579. Retrieved 2012/05/20.
• 3、 Anderson, John D.O.,DesMarteau, Darryl D.. "Perfluoroalkyl hypobromites: Synthesis and reactivity with some fluoroalkenes". . p. 147 - 152. Retrieved 2007/10/03.