All Photos(3)
Synonym(s):
1,2,3,4,5,6-Hexafluorobenzene, Perfluorobenzene
Empirical Formula (Hill Notation):
C6F6
CAS Number:
Molecular Weight:
186.05
Beilstein:
1683438
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
grade
NMR grade
Quality Level
Assay
≥99.5%
form
liquid
technique(s)
NMR: suitable
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
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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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Flam. Liq. 2
WGK
WGK 3
Flash Point(F)
closed cup
Flash Point(C)
closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
危险化学品
Certificates of Analysis (COA)
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Reactivity of M (en) Cl 2 (M= Pd II/Pt II, en= 1, 2-diaminoethane) with N, N′-bis (salicylidene)-p-phenylenediamine: binding with hexafluorobenzene
Kumari N, et al.
Polyhedron, 27(1), 241-248 (2008)
Absolute temperature dependence of chemical shifts of lock solvents. Tetramethylsilane, hexafluorobenzene, and 1, 4-dibromotetrafluorobenzene
Jameson AK and Jameson CJ
Journal of the American Chemical Society, 95(26), 8559-8561 (1973)
Solvent shift induced by hexafluorobenzene in NMR spectra
Nikki K and Nakagawa N
Chemistry Letters (Jpn), 3(7), 699-700 (1974)
Arene-perfluoroarene interactions in crystal engineering 8: structures of 1: 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons.
Collings JC, et al.
New. J. Chem., 26(12), 1740-1746 (2002)
R P Mason et al.
NMR in biomedicine, 9(3), 125-134 (1996-05-01)
We have surveyed the sensitivity of the spin lattice relaxation rates of the 19F resonances of several perfluorocarbons to changes in oxygen tension and temperature. Hexafluorobenzene was found to exhibit exceptional sensitivity to changes in oxygen tension, and we have
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