1-Bromoperfluorohexane

Base Information

• Chemical Name: 1-Bromoperfluorohexane
• CAS No.: 335-56-8
• Molecular Formula: C6BrF13
• Molecular Weight: 398.949
• Hs Code.: 29037800
• European Community (EC) Number: 206-391-6
• DSSTox Substance ID: DTXSID80187141
• Nikkaji Number: J193.771E
• Wikidata: Q72500547
• Mol file: 335-56-8.mol

Synonyms:1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane;1-bromoperfluorohexane;n-perfluorohexyl bromide;perfluorohexyl bromide;perfluorohexylbromide;tridecafluorohexyl bromide

Chemical Property of 1-Bromoperfluorohexane

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 45.9mmHg at 25°C
• Melting Point: -49 °C
• Refractive Index: n20/D 1.3(lit.)
• Boiling Point: 98.4 °C at 760 mmHg
• Flash Point: 13.3 °C
• PSA: 0.00000
• Density: 1.883 g/cm³
• LogP: 5.07760
• Storage Temp.: 2-8°C
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 397.89758
• Heavy Atom Count: 20
• Complexity: 366

Purity/Quality:

99% ^*data from raw suppliers

1-Bromoperfluorohexane ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(C(C(F)(F)Br)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• Uses: Employed in the preparation of perfluorononanal by hydroformylation. Employed in the preparation of perfluorononanal by hydroformylation.1,2

Technology Process of 1-Bromoperfluorohexane

There total 7 articles about 1-Bromoperfluorohexane 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: 38.0%

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (355-37-3) → 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (335-56-8)

Guidance literature:

With carbon tetrabromide; at 300 ℃; for 24h;

DOI:10.1016/0022-1139(94)03137-O

Reference yield:

perfluorohexyldifluoroborane (329009-01-0) → 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (335-56-8) + tetradecafluorohexane (355-42-0)

Guidance literature:

perfluorohexyldifluoroborane; With bromine trifluoride; In 1,1,1,3,3-Pentafluoropropane; at -60 ℃; for 1h; Inert atmosphere;

With bromine trifluoride; In 1,1,1,3,3-Pentafluoropropane; at -60 - -10 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2010.06.006

Reference yield:

polytetrafluoroethylene (116-14-3,82785-14-6) → 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (335-56-8) + 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)

Guidance literature:

With bromine; Further byproducts given;

DOI:10.1021/jo00945a013

upstream raw materials:

n-perfluorohexyl iodide

polytetrafluoroethylene

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

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane

Downstream raw materials:

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane

Ethyl 3-methyl-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate

tol-4-yl tridecafluorohexyl sulfide

sodium undecafluorohexanoate

Refernces

• 1、 Signe, E.,Blancou, H.,Commeyras, A.. "Reactivite par voie thermique de RFH". . p. 197 - 200. Retrieved 2007/10/02.