Iodopentafluorobenzene

Base Information

• Chemical Name: Iodopentafluorobenzene
• CAS No.: 827-15-6
• Molecular Formula: C6F5I
• Molecular Weight: 293.963
• Hs Code.: 29039990
• European Community (EC) Number: 212-565-2
• NSC Number: 88306
• UNII: 6FL842U9F2
• DSSTox Substance ID: DTXSID10231969
• Nikkaji Number: J108.273F
• Wikidata: Q27461358
• Mol file: 827-15-6.mol

Synonyms:Iodopentafluorobenzene;827-15-6;Pentafluoroiodobenzene;1,2,3,4,5-pentafluoro-6-iodobenzene;Benzene, pentafluoroiodo-;Iodoperfluorobenzene;2,3,4,5,6-Pentafluoroiodobenzene;C6F5I;1,2,3,4,5-Pentafluoro-6-iodo-benzene;Pentafluorophenyl iodide;6FL842U9F2;EINECS 212-565-2;NSC-88306;Perfluoroiodobenzene;IBF;NSC88306;benzene, 1,2,3,4,5-pentafluoro-6-iodo-;Iodopentafluorobenzene, 99%;SCHEMBL664825;UNII-6FL842U9F2;C6-F5-I;DTXSID10231969;MFCD00001032;NSC 88306;AKOS003788910;CS-W009984;FS-4336;PB48094;FT-0627269;EN300-115880;A840421;Q27461358

Chemical Property of Iodopentafluorobenzene

Chemical Property:

• Appearance/Colour: colorless liquid.
• Vapor Pressure: 2.33mmHg at 25°C
• Melting Point: -29°C
• Refractive Index: n20/D 1.496(lit.)
• Boiling Point: 166.7 °C at 760 mmHg
• Flash Point: 61.3 °C
• PSA: 0.00000
• Density: 2.204 g/mL at 25 °C(lit.)
• LogP: 2.98670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive
• Water Solubility.: Insoluble in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 293.89649
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98% ^*data from raw suppliers

Iodopentafluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)F
• Uses: Iodopentafluorobenzene was used to study the formation of radical ions of iodopentafluorobenzene in aqueous solution . It was used as solvent in a study to determine singlet oxgen lifetimes from phosphorescence decays in halogen substituted perfluorinated solvents by infrared emission spectrometery . It has potential applications in plasma processing industry and in preparation of catalysts . Iodopentafluorobenzene was used to study the formation of radical ions of iodopentafluorobenzene in aqueous solution. It was used as solvent in a study to determine singlet oxgen lifetimes from phosphorescence decays in halogen substituted perfluorinated solvents by infrared emission spectrometery.It has potential applications in plasma processing industry and in preparation of catalysts.

Technology Process of Iodopentafluorobenzene

There total 103 articles about Iodopentafluorobenzene 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: 93.0%

2,3,4,5,6-pentafluorobenzenediazonium tetrafluoroborate + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2,3,4,5,6-pentafluorobiphenyl (784-14-5) + Pentafluorobenzene (363-72-4) + 1,2,3,4,5-pentafluoro-6-iodobenzene (827-15-6)

Guidance literature:

With sodium iodide; In acetonitrile; at 24 ℃; Product distribution; Mechanism; further reagents; various arenes; effect of benzene concentration;

DOI:10.1021/ja970599b

Reference yield: 91.0%

C10F11IO2 + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → phenyl trifluoroacetate (500-73-2) + 1,2,3,4,5-pentafluoro-6-iodobenzene (827-15-6)

Guidance literature:

With trifluoroacetic acid; trifluoroacetic anhydride; at 150 ℃; Inert atmosphere;

DOI:10.1002/anie.201406185

Reference yield: 75.0%

(pentafluorophenyl)copper (18206-43-4) → decafluorobiphenyl (434-90-2) + 1,2,3,4,5-pentafluoro-6-iodobenzene (827-15-6)

Guidance literature:

With iodine; In tetrahydrofuran; hexane;

upstream raw materials:

Pentafluorobenzene

iodobenzene

2,3,4,5,6-pentafluoroaniline

(hydroxy(tosyloxy)iodo)pentafluorobenzene

Downstream raw materials:

2',3',4',5',6'-pentafluoroacetophenone

pentafluorophenyliodine bis(perfluorobutyrate)

1-Pentafluorophenyl-2-p-nitro-phenylacetylene

1-iodo nonafluoro cyclohexene

Refernces

• 1、 Quibell, Jacob M.,Duan, Guojian,Perry, Gregory J.P.,Larrosa, Igor. "Decarboxylative Suzuki-Miyaura coupling of (hetero)aromatic carboxylic acids using iodine as the terminal oxidant". supporting information. p. 6445 - 6448. Retrieved 2019/06/07.
• 2、 Maddock, Lewis C. H.,Nixon, Tracy,Kennedy, Alan R.,Probert, Michael R.,Clegg, William,Hevia, Eva. "Utilising Sodium-Mediated Ferration for Regioselective Functionalisation of Fluoroarenes via C?H and C?F Bond Activations". supporting information. p. 187 - 191. Retrieved 2017/12/07.