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H8706

Sigma-Aldrich

Hexafluorobenzene

99%

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Synonym(s):
Perfluorobenzene
Empirical Formula (Hill Notation):
C6F6
CAS Number:
Molecular Weight:
186.05
Beilstein:
1683438
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

99%

form

liquid

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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This Item
326720U2625138975
Hexafluorobenzene 99%

H8706

Hexafluorobenzene

Hexafluorobenzene ≥99.5%, NMR grade

326720

Hexafluorobenzene

Uric acid ≥99%, crystalline

U2625

Uric acid

1-Pentanol ReagentPlus®, ≥99%

138975

1-Pentanol

refractive index

n20/D 1.377 (lit.)

refractive index

n20/D 1.377 (lit.)

refractive index

-

refractive index

n20/D 1.409 (lit.)

form

liquid

form

liquid

form

crystalline

form

liquid

bp

80-82 °C (lit.)

bp

80-82 °C (lit.)

bp

-

bp

136-138 °C (lit.)

mp

3.7-4.1 °C (lit.)

mp

3.7-4.1 °C (lit.)

mp

>300 °C (lit.)

mp

−78 °C (lit.)

density

1.612 g/mL at 25 °C (lit.)

density

1.612 g/mL at 25 °C (lit.)

density

-

density

0.811 g/mL at 25 °C (lit.)

Application

Hexafluorobenzene can react with:
  • Ethyl magnesium bromide in the presence of transition metal halides to form the corresponding perfluoroarylmagnesium compound that can undergo Grignard reactions.
  • The sodium salt of the appropriate phenol in 1,3-dimethyl-2-imidazolidinone (DMEU) to form the corresponding hexakis(aryloxy)benzenes.

It can be used:
  • As a ligand to synthesize novel ruthenium(0) and osmium(0) hexafluorobenzene complexes.
  • As a solvent and promoter for the ring-closing metathesis (RCM) to form tetrasubstituted olefins in the presence of a ruthenium-based catalyst.

Pictograms

Flame

Signal Word

Danger

Hazard Statements

Hazard Classifications

Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

50.0 °F - closed cup

Flash Point(C)

10 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Synthesis of hexakis (aryloxy) benzenes: x-ray analysis of hexakis (phenyloxy) benzene and of the acetonitrile clathrate of hexakis (3, 5-dimethylphenyloxy) benzene
Gilmore C J, et al.
Tetrahedron Letters, 24(31), 3269-3272 (1983)
Synthesis of new ? 4-hexafluorobenzene complexes of ruthenium and osmium from atoms of the metals: crystal structure of [Ru (? 6-C 6 H 3 Me 3-1, 3, 5)(? 4-C 6 F 6)]
Martin A, et al.
Journal of the Chemical Society, (15), 2251-2255 (1994)
Seiji Tsuzuki et al.
The journal of physical chemistry. A, 110(5), 2027-2033 (2006-02-03)
The intermolecular interaction energy of hexafluorobenzene-benzene has been calculated with the ARS-E model (a model chemistry for the evaluation of the intermolecular interaction energy between aromatic systems using extrapolation), which was formerly called the AIMI model. The CCSD(T) interaction energy
Lionel Mignion et al.
Magnetic resonance in medicine, 69(1), 248-254 (2012-03-24)
Hexafluorobenzene (HFB) and perfluoro-15-crown-5-ether (15C5) were compared as fluorine reporter probes of tissue oxygenation using (19)F MRI for dynamic assessment of muscle oxygenation, with special focus on muscle tissue toxicity of the probes, and consecutive alteration of animal behavior. The
Alain Grandbois et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 14(30), 9323-9329 (2008-08-30)
The asymmetric synthesis of [7]helicene was accomplished in good ee (80%) by kinetic resolution by means of asymmetric olefin metathesis. Three key factors contributed to the success of the kinetic resolution: the use of new Ru-based olefin metathesis catalysts bearing

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