1,2-Dibromohexafluoropropane

Base Information

• Chemical Name: 1,2-Dibromohexafluoropropane
• CAS No.: 661-95-0
• Deprecated CAS: 121163-90-4
• Molecular Formula: C3Br2 F6
• Molecular Weight: 309.831
• European Community (EC) Number: 211-550-8
• DSSTox Substance ID: DTXSID60880143
• Nikkaji Number: J28.275H
• Mol file: 661-95-0.mol

Synonyms:1,2-Dibromohexafluoropropane;661-95-0;1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane;121163-90-4;Propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro-;EINECS 211-550-8;BRN 1704033;EC 211-550-8;Hexafluoropropene Dibromide;C3Br2F6;C3-Br2-F6;SCHEMBL1039199;()-1,2-Dibromohexafluoropropane;DTXSID60880143;Propane, 1,2-dibromohexafluoro-;BBL101724;MFCD00013568;STL555521;AKOS007930346;MS-20271;LS-119950;CS-0326713;FT-0606343;A835359;1,2-Dibromohexafluoropropane, stabilized with potassium carbonate

Chemical Property of 1,2-Dibromohexafluoropropane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Melting Point: -95 °C
• Refractive Index: 1.3605
• Boiling Point: 72.6 °C at 760 mmHg
• Flash Point: 71-72°C
• PSA: 0.00000
• Density: 2.257 g/cm³
• LogP: 3.59710
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 309.82504
• Heavy Atom Count: 11
• Complexity: 152

Purity/Quality:

99.9% ^*data from raw suppliers

1,2-Dibromohexafluoropropane 99.5% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(F)(F)F)(C(F)(F)Br)(F)Br
• Uses: 1,2-Dibromohexafluoropropane is used in method of manufacturing fire-extinguishing microcapsules comprising fire-extinguishing agent and polymeric shell.

Technology Process of 1,2-Dibromohexafluoropropane

There total 10 articles about 1,2-Dibromohexafluoropropane 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: 99.41%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) → 1,2-dibromohexafluoropropane (661-95-0)

Guidance literature:

With bromine; at 100 ℃; Cooling with acetone-dry ice;

Reference yield: 80.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + Bromine(I) trifluoromethanesulfonate (70142-16-4) → 1,2-dibromohexafluoropropane (661-95-0) + trifluoromethyl trifluoromethanesulfonate (3582-05-6) + Trifluoro-methanesulfonic acid 2-bromo-1,1,2,3,3,3-hexafluoro-propyl ester (73323-45-2)

Guidance literature:

at -111 - -5 ℃; for 24h;

DOI:10.1021/jo01300a035

Reference yield:

heptafluorobutyric Acid (375-22-4) + bromine (7726-95-6) → 1,2-dibromohexafluoropropane (661-95-0) + perfluoropropyl bromide (422-85-5)

Guidance literature:

at 260 ℃; Reaktion des Natrium-Salzes;

DOI:10.1039/jr9520004259

upstream raw materials:

perfluoropropylene

1,1,1,3,3,3-hexafluoropropane

HFC-227ca

Bromine(I) trifluoromethanesulfonate

Downstream raw materials:

2-bromo-1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

perfluoro-4,4-dimethyl-2-pentene

1-phenoxy-2-hydroperfluoropropane

(2-Bromo-1,1,2,3,3,3-hexafluoro-propoxy)-benzene

Refernces

• 1、 -. "A 1,2- two bromine six fluorine method for the preparation of". Paragraph 0038; 0039. . Retrieved 2017/03/21.
• 2、 -. "Perfluoroalkylanilins". Page 10. . Retrieved 2008/06/13.