1,8-Dibromoperfluorooctane

Base Information

• Chemical Name: 1,8-Dibromoperfluorooctane
• CAS No.: 812-58-8
• Molecular Formula: C8Br2 F16
• Molecular Weight: 559.87
• Hs Code.: 29037800
• European Community (EC) Number: 670-420-2
• DSSTox Substance ID: DTXSID80371604
• Nikkaji Number: J753.974F
• Wikidata: Q82158984
• Mol file: 812-58-8.mol

Synonyms:1,8-Dibromoperfluorooctane;812-58-8;1,8-dibromohexadecafluorooctane;1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;Octane,1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-;C8Br2F16;Perfluoro-1,8-dibromooctane;SCHEMBL2166117;DTXSID80371604;MFCD00153111;AKOS015833869;AS-72065;D3587;FT-0607041;A840077;1,8-bis(bromanyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecakis(fluoranyl)octane

Chemical Property of 1,8-Dibromoperfluorooctane

Chemical Property:

• Melting Point: 40 °C
• Boiling Point: 180 °C
• PSA: 0.00000
• Density: 2 g/cm3
• LogP: 6.77360
• Solubility.: soluble in Methanol
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 559.80908
• Heavy Atom Count: 26
• Complexity: 488

Purity/Quality:

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

1,8-Dibromoperfluorooctane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,8-Dibromoperfluorooctane

There total 2 articles about 1,8-Dibromoperfluorooctane 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:

polytetrafluoroethylene (116-14-3,82785-14-6) → 1,2-dibromo-1,1,2,2-tetrafluoroethane (124-73-2) + 1,4-dibromo-1,1,2,2,3,3,4,4-octafluoro-butane (335-48-8) + 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decafluoro-pentane (24331-48-4) + 1,8-dibromoperfluorooctane (812-58-8)

Guidance literature:

With bromine; Further byproducts given;

DOI:10.1021/jo00945a013

Reference yield:

polytetrafluoroethylene (116-14-3,82785-14-6) → 1,2-dibromo-1,1,2,2-tetrafluoroethane (124-73-2) + 1,4-dibromo-1,1,2,2,3,3,4,4-octafluoro-butane (335-48-8) + 1,6-dibromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane (918-22-9) + 1,8-dibromoperfluorooctane (812-58-8)

Guidance literature:

With 1,2-Dibromo-1,2-dichloro-1,2-difluoroethane; C₉F₂₀; at 190 ℃; under 13680 Torr; Further Variations:; Reagents; Pressures; Temperatures; Product distribution;

DOI:10.1016/j.jfluchem.2005.11.011

Reference yield: 90.0%

1,8-dibromoperfluorooctane (812-58-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1H,8H-perfluorooctane (307-99-3) + 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-decane-1,1,10,10-tetraol

Guidance literature:

With lead(II) bromide; aluminium; tin(ll) chloride; for 3h; Yields of byproduct given; Irradiation;

DOI:10.1016/S0022-1139(96)03551-8

upstream raw materials:

polytetrafluoroethylene

Downstream raw materials:

1H,8H-perfluorooctane

Refernces