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326720 Sigma-Aldrich

Hexafluorobenzene

≥99.5%, NMR grade

  • CAS Number 392-56-3

  • Empirical Formula (Hill Notation) C6F6

  • Molecular Weight 186.05

  •  Beilstein/REAXYS Number 1683438

  •  EC Number 206-876-2

  •  MDL number MFCD00000288

  •  PubChem Substance ID 24859616

  •  NACRES NA.22

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Properties

Related Categories Alphabetical Listings, Aryl, Aryl Fluorinated Building Blocks, Building Blocks, C6,
Quality Level   200
grade   NMR grade
assay   ≥99.5%
refractive index   n20/D 1.377 (lit.)
bp   80-82 °C (lit.)
mp   3.7-4.1 °C (lit.)
density   1.612 g/mL at 25 °C (lit.)
SMILES string   Fc1c(F)c(F)c(F)c(F)c1F
InChI   1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChI key   ZQBFAOFFOQMSGJ-UHFFFAOYSA-N

Description

General description

Hexafluorobenzene was repoted to be a sensitive 19F NMR indicator of tumor oxygenation. Rotational Raman spectra of hexafluorobenzenehas been studied under high resolution using a single mode argon laser as the exciting source. Hexafluorobenzene in the gas phase reacts spontaneously with lithium amalgam, to give a solid and intimate mixture of lithium fluoride and elemental polymeric carbon with a small amount of superstoichiometric lithium. Hexafluorobenzene forms series of 1:1 complexes with naphthalene, anthracene,phenanthrene, pyrene and triphenylene.

Application

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.

Packaging

5, 25 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS02  GHS02
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 1993BF 3 / PGII
WGK Germany 
WGK 3
RTECS 
DA3050000
Flash Point(F) 
50.0 °F - closed cup
Flash Point(C) 
10 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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