1,1,1-Tribromo-2,2,2-trifluoroethane

Base Information

• Chemical Name: 1,1,1-Tribromo-2,2,2-trifluoroethane
• CAS No.: 354-48-3
• Molecular Formula: C2Br3 F3
• Molecular Weight: 320.729
• Hs Code.: 2903799090
• European Community (EC) Number: 206-560-4
• UNII: Y956G92HG6
• DSSTox Substance ID: DTXSID20188879
• Nikkaji Number: J129.119J
• Wikidata: Q83060740
• Mol file: 354-48-3.mol

Synonyms:1,1,1-Tribromo-2,2,2-trifluoroethane;354-48-3;EINECS 206-560-4;Ethane, 1,1,1-tribromo-2,2,2-trifluoro-;Y956G92HG6;1,1,1-TRIBROMOTRIFLUOROETHANE;CF3CBr3;C2Br3F3;UNII-Y956G92HG6;C2-Br3-F3;SCHEMBL7815534;1,1,1-trifluoro-tribromoethane;DTXSID20188879

Chemical Property of 1,1,1-Tribromo-2,2,2-trifluoroethane

Chemical Property:

• Vapor Pressure: 22.5mmHg at 25°C
• Refractive Index: 1.4640 (estimate)
• Boiling Point: 115.5°Cat760mmHg
• Flash Point: 23.7°C
• PSA: 0.00000
• Density: 2.728g/cm³
• LogP: 3.38720
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 319.74817
• Heavy Atom Count: 8
• Complexity: 79.5

Purity/Quality:

99% ^*data from raw suppliers

1,1,1-TRIBROMOTRIFLUOROETHANE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1-Tribromo-2,2,2-trifluoroethane

There total 7 articles about 1,1,1-Tribromo-2,2,2-trifluoroethane 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: 50.3%

1,2-dibromo-1,1,2,2-tetrafluoroethane (124-73-2) → 1-bromo-1-chloro-1,2,2,2-tetrafluoro-ethane (754-20-1) + 1,1,1-tribromotrifluoroethane (354-48-3) + 1-chloro-1,1-dibromotrifluoroethane (754-17-6) + 1,1-dibromo-1,2,2,2-tetrafluoroethane (27336-23-8)

Guidance literature:

With aluminium trichloride; at 50 - 55 ℃; for 22h; Further byproducts given;

DOI:10.1016/S0022-1139(00)80974-4

Reference yield: 14.5%

1,2-dibromo-1,1,2,2-tetrafluoroethane (124-73-2) → bromopentafluoroethane (354-55-2) + 1-bromo-1-chloro-1,2,2,2-tetrafluoro-ethane (754-20-1) + 1,1,1-tribromotrifluoroethane (354-48-3) + 1,1-dibromo-1,2,2,2-tetrafluoroethane (27336-23-8)

Guidance literature:

With aluminium trichloride; at 50 - 55 ℃; for 22h; Further byproducts given;

DOI:10.1016/S0022-1139(00)80974-4

Reference yield:

2,2,2-trifluoroethanol (420-46-2) + bromine (7726-95-6) → 2-bromo-1,1,1-trifluoroethane (421-06-7) + 1,2-dibromo-1,1-difluoroethane (75-82-1) + 2,2-dibromo-1,1,1-trifluoro-ethane (354-30-3) + 1,1,1-tribromotrifluoroethane (354-48-3)

Guidance literature:

at 500 ℃;

DOI:10.1021/ie50447a642

upstream raw materials:

2,2,2-trifluoroethanol

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

bromine

Downstream raw materials:

3,3,3-Trifluoropropionic acid

2-bromo-1,1,1-trifluoroethane

2,2-dibromo-3,3,3-trifluoro-1-phenyl-1-propanol

1,2-bis(1-(4-methoxyphenyl)ethylidene)hydrazine

Refernces

• 1、 Chambers, Richard D.,Proctor, Lee D.,Caporiccio, Gerardo. "Polymer chemistry. Part V. γ-Ray induced telomerisation reactions involving 1,1-difluoroethene and hexafluoropropene". . p. 241 - 248. Retrieved 2007/10/02.