Welcome to LookChem.com Sign In|Join Free
  • or

Encyclopedia

Hexafluorobenzene

Base Information Edit
  • Chemical Name:Hexafluorobenzene
  • CAS No.:392-56-3
  • Molecular Formula:C6F6
  • Molecular Weight:186.056
  • Hs Code.:29039990
  • European Community (EC) Number:206-876-2
  • NSC Number:21628
  • UNII:CMC18T611K
  • DSSTox Substance ID:DTXSID5043924
  • Nikkaji Number:J37.679E
  • Wikipedia:Hexafluorobenzene
  • Wikidata:Q412413
  • Metabolomics Workbench ID:55924
  • Mol file:392-56-3.mol
Hexafluorobenzene

Synonyms:hexafluorobenzene

Suppliers and Price of Hexafluorobenzene
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • Hexafluorobenzene
  • 5g
  • $ 50.00
  • TCI Chemical
  • Hexafluorobenzene >99.0%(GC)
  • 5g
  • $ 31.00
  • TCI Chemical
  • Hexafluorobenzene >99.0%(GC)
  • 25g
  • $ 84.00
  • TCI Chemical
  • Hexafluorobenzene >99.0%(GC)
  • 250g
  • $ 458.00
  • SynQuest Laboratories
  • Hexafluorobenzene 99.0%
  • 50 g
  • $ 95.00
  • SynQuest Laboratories
  • Hexafluorobenzene 99.0%
  • 1 kg
  • $ 895.00
  • SynQuest Laboratories
  • Hexafluorobenzene 99.0%
  • 250 g
  • $ 245.00
  • SynQuest Laboratories
  • Hexafluorobenzene 99.0%
  • 10 g
  • $ 30.00
  • Strem Chemicals
  • Hexafluorobenzene, min. 99%
  • 5g
  • $ 25.00
  • Strem Chemicals
  • Hexafluorobenzene, min. 99%
  • 25g
  • $ 72.00
Total 118 raw suppliers
Chemical Property of Hexafluorobenzene Edit
Chemical Property:
  • Appearance/Colour:colourless liquid 
  • Vapor Pressure:94.5mmHg at 25°C 
  • Melting Point:3.7-4.1 °C(lit.) 
  • Refractive Index:n20/D 1.377(lit.)  
  • Boiling Point:80.5 °C at 760 mmHg 
  • Flash Point:10 °C 
  • PSA:0.00000 
  • Density:1.622 g/cm3 
  • LogP:2.52120 
  • Storage Temp.:Flammables area 
  • Water Solubility.:Immiscible with water. 
  • XLogP3:2.5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:0
  • Exact Mass:185.99041897
  • Heavy Atom Count:12
  • Complexity:104
Purity/Quality:

99% *data from raw suppliers

Hexafluorobenzene *data from reagent suppliers

Safty Information:
  • Pictogram(s): FlammableF, IrritantXi 
  • Hazard Codes:F,Xi 
  • Statements: 11-36/37/38 
  • Safety Statements: 16-33-7/9-29-26-37/39 
MSDS Files:

SDS file from LookChem

Useful:
  • Chemical Classes:Other Classes -> Halogenated Monoaromatics
  • Canonical SMILES:C1(=C(C(=C(C(=C1F)F)F)F)F)F
  • Description Hexafluorobenzene, HFB, C6F6, or perfluorobenzene is an organic, aromatic compound. In this derivative of benzene all hydrogen atoms have been replaced by fluorine atoms. The technical uses of the compound are limited, although it is recommended as a solvent in a number of photochemical reactions. In the laboratory hexafluorobenzene is used as standard in fluorine-19 NMR spectroscopy, solvent and standard in carbon-13 NMR, solvent in proton NMR, solvent when studying some parts in the infrared and solvent in ultraviolet–visible spectroscopy, as hexafluorobenzene itself hardly shows any absorbance in the UV region.
  • Uses Hexafluorobenzene is used as a solvent in photochemical reactions. It is also used as a reference compound in fluorine-19 NMR, carbon-13 NMR. It is used as a solvent in proton NMR, IR spectrum and UV-spectra. It is used as anticorrosive, antifriction and anti-tumor agents. Further, it is used as a reference molecule to investigate tissue oxygenation in vivo studies. It forms series of 1:1 complexes with naphthalene, anthracene, phenanthrene, pyrene and triphenylene. Hexafluorobenzene can be used as a standard in 19Fluorine NMR (nuclear magnetic resonance) spectroscopy and also as a solvent in 13Carbon and 1H NMR spectroscopy.
Technology Process of Hexafluorobenzene

There total 87 articles about Hexafluorobenzene 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:
Guidance literature:
With carbon monoxide; under 0°C;
DOI:10.1016/S0022-1139(00)81729-7
Guidance literature:
With sodium fluoride; at 460 ℃; for 1h; pyrolytic dehydrofluorination;
DOI:10.1016/S0022-1139(00)81295-6
Guidance literature:
With cesium fluoride; In hydrogen fluoride;
DOI:10.1021/ja00276a039
Refernces Edit

Synthesis of Chiral 1,4-Benzodioxanes and Chromans by Enantioselective Palladium-Catalyzed Alkene Aryloxyarylation Reactions

10.1002/anie.201600379

The research aims to develop a highly enantioselective method for synthesizing chiral 1,4-benzodioxanes, 1,4-benzooxazines, and chromans, which are important structural units in many bioactive natural products and drugs. The study focuses on using palladium-catalyzed alkene aryloxyarylation reactions, with key chemicals including 2-((2-methylallyl)oxy)phenol (1a), various aryl halides such as bromobenzene (2a), and chiral monophosphorus ligands like L4 and L5. The researchers optimized the reaction conditions, finding that a strong base like NaOtBu and a solvent like hexafluorobenzene (C6F6) enhanced both yield and enantioselectivity. The method demonstrated high yields (up to 90%) and excellent enantioselectivity (up to 95% ee) for a range of substrates, including those with different aryl and heteroaryl groups. The study concludes that the chiral monophosphorus ligands L4 and L5 are crucial for the high reactivity and enantioselectivity of the transformations. The findings not only provide a practical route for synthesizing these chiral compounds but also offer valuable insights into the design of better catalytic systems for similar transformations.

Reactions of (MeC5H4)3U(t-Bu): Intermolecular Fluorine Atom Absorption from Fluorocarbons Including Saturated Perfluorocarbons

10.1021/ja00072a046

The research investigates the intermolecular fluorine atom abstraction from fluorocarbons, including saturated perfluorocarbons, by the compound (MeCsH&U(t-Bu). The study reports that this compound can efficiently abstract fluorine atoms under mild conditions in hydrocarbon solvents. Key chemicals involved in the research include hexafluorobenzene, which reacts with (MeCsH&U(t-Bu) to produce uranium (IV) fluoride and various organic products such as CsFsH, CsFs(t-Bu), isobutane, and isobutene. Other fluorocarbons like benzotrifluoride and perfluoromethylcyclohexane were also used to explore the scope of the C-F bond activation process. The reactions were monitored using techniques like NMR spectroscopy, GC, and GC-MS to identify and quantify the products. The study proposes a radical cage mechanism for these reactions, suggesting that the formation of a U-F bond and subsequent C-C or C-H bond formations drive the process.

Crystal Structure of synthesised together with Other Sandwich Complexes of Tungsten and Molybdenum containing η6-C6F6 or η6-C6H3F3-1,3,5 Ligands, from Atoms of the Metals

10.1039/DT9930003097

The research investigates the synthesis and properties of sandwich complexes of tungsten and molybdenum containing hexafluorobenzene (C6F6) or 1,3,5-trifluorobenzene (C6H3F3-1,3,5) ligands. The purpose is to explore the reactions of metal atoms with potentially oxidising ligands and extend the known role of hexafluorobenzene as a ligand. Key chemicals used include molybdenum or tungsten atoms, hexafluorobenzene, 1,3,5-trifluorobenzene, benzene, and 1,3,5-trimethylbenzene. The researchers found that reacting molybdenum or tungsten atoms with these ligands at liquid-nitrogen temperature produced new compounds such as [M(C6F6)2], [M(C6H3F3-1,3,5)2], and mixed-ligand complexes like [M(C6F6)(C6H6)] and [M(C6F6)(C6H3Me3-1,3,5)]. The study revealed that these complexes are stable and resistant to air oxidation, with bond lengths and angles indicating typical metal-arene bonding. The 19F and 1H NMR spectra showed significant inter-ring coupling, making some spectra easier to interpret. The research concludes that hexafluorobenzene can form stable complexes with transition metals, and this finding could stimulate further conventional organometallic synthesis in this area.

Post RFQ for Price