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Thermo Scientific Chemicals
Bromopentafluorobenzene, 99%
CAS: 344-04-7 | C6BrF5 | 246.96 g/mol
化学物質識別子
CAS344-04-7
IUPAC Name1-bromo-2,3,4,5,6-pentafluorobenzene
Molecular FormulaC6BrF5
InChI KeyXEKTVXADUPBFOA-UHFFFAOYSA-N
SMILESFC1=C(F)C(F)=C(Br)C(F)=C1F
さらに表示
仕様
スペックシート
スペックシートAppearance (Color)Clear colorless to yellow
FormLiquid
Assay (GC)≥98.5%
Identification (FTIR)Conforms
Refractive Index1.4480-1.4510 @ 20°C
It is used as pharmaceutical intermediate. It is a Grignard reagent (with CuBr in dioxane) can introduce pentafluorophenyl groups.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
Applications
It is used as pharmaceutical intermediate. It is a Grignard reagent (with CuBr in dioxane) can introduce pentafluorophenyl groups.
Solubility
Insoluble in water.
Notes
Store at room temperature. Incompatible with oxidizing agents. Air sensitive.
It is used as pharmaceutical intermediate. It is a Grignard reagent (with CuBr in dioxane) can introduce pentafluorophenyl groups.
Solubility
Insoluble in water.
Notes
Store at room temperature. Incompatible with oxidizing agents. Air sensitive.
RUO – Research Use Only
General References:
- S.G. Frankiss.; D.J. Harrison. Thermodynamic properties of fluorine compounds—XVI. The vibrational spectra and thermodynamic functions of pentafluorobenzene, chloropentafluorobenzene, bromopentafluorobenzene and methylpentafluorobenzene. Spectrochimica Acta Part A: Molecular Spectroscopy. 1975, 31 (12),1839-1864 .
- D.V. Fenby.; S. Ruenkrairergsa. Aromatic fluorocarbon mixtures I. Excess enthalpies of benzene + chloropentafluorobenzene, + bromopentafluorobenzene, and + iodopentafluorobenzene. The Journal of Chemical Thermodynamics. 1973, 5 (2),227-232 .
- Reaction of the Grignard reagent with CuBr in dioxane leads to pentafluorophenylcopper, useful for introduction of the pentafluorophenyl group by reaction with a wide range of electrophiles, e.g. halogens, acyl halides, alkyl, aryl and vinyl iodides, etc. For tabulated results, see: Org. Synth. Coll., 6, 875 (1988).