1-Bromoundecafluorocyclohexane

Base Information

• Chemical Name: 1-Bromoundecafluorocyclohexane
• CAS No.: 336-13-0
• Molecular Formula: C6Br F11
• Molecular Weight: 360.952
• Hs Code.: 2903890090
• European Community (EC) Number: 670-909-0
• DSSTox Substance ID: DTXSID00371303
• Wikidata: Q82158596
• Mol file: 336-13-0.mol

Synonyms:1-Bromoundecafluorocyclohexane;336-13-0;1-Bromoperfluorocyclohexane;1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane;Bromoperfluorocyclohexane;Perfluoro-1-bromocyclohexane;SCHEMBL10933472;DTXSID00371303;ZAGWQKRFOLDLGQ-UHFFFAOYSA-N;MFCD00153732;AKOS007930087;FT-0607543;A821876;1-bromanyl-1,2,2,3,3,4,4,5,5,6,6-undecakis(fluoranyl)cyclohexane

Chemical Property of 1-Bromoundecafluorocyclohexane

Chemical Property:

• Vapor Pressure: 38.7mmHg at 25°C
• Boiling Point: 92°C
• Flash Point: 15.8°C
• PSA: 0.00000
• Density: 1.97g/cm³
• LogP: 4.23720
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 359.90077
• Heavy Atom Count: 18
• Complexity: 342

Purity/Quality:

98% ^*data from raw suppliers

Bromoperfluorocyclohexane 97% ^*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

Useful:

• Canonical SMILES: C1(C(C(C(C(C1(F)F)(F)F)(F)Br)(F)F)(F)F)(F)F

Technology Process of 1-Bromoundecafluorocyclohexane

There total 8 articles about 1-Bromoundecafluorocyclohexane 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: 62.0%

4-bromononafluorocyclohexene (57113-75-4) → bromo-undecafluoro-cyclohexane (336-13-0)

Guidance literature:

With vanadium pentafluoride; at 60 ℃; for 2h; closed tube;

DOI:10.1016/S0022-1139(00)85033-2

Reference yield:

4-bromononafluorocyclohexene (57113-75-4) → bromo-undecafluoro-cyclohexane (336-13-0) + decafluorocyclohex-1-ene (355-75-9)

Guidance literature:

With antimony pentafluoride; at 150 ℃; for 5h; Product distribution;

Reference yield:

→ bromo-undecafluoro-cyclohexane (336-13-0)

Guidance literature:

With Perfluorotributylamine; bromine;

DOI:10.1021/ja01152a507

upstream raw materials:

docosafluoro-bicyclohexyl

1,2,2,3,3,4,4,5,5,6,6-perfluorocyclohexanecarboxylic acid

4-bromononafluorocyclohexene

perfluoro isopropyl cyclohexane

Refernces

• 1、 Bardin, V. V.,Avramenko, A. A.,Furin, G. G.,Krasilnikov, V. A.,Karelin, A. I.,et al.. "FLUORINATION OF POLYHALOGENATED UNSATURATED COMPOUNDS WITH VANADIUM PENTAFLUORIDE". . p. 385 - 400. Retrieved 2007/10/02.