H8706
Hexafluorobenzene
99%
Synonym(s):
Perfluorobenzene
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About This Item
Empirical Formula (Hill Notation):
C6F6
CAS Number:
Molecular Weight:
186.05
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
206-876-2
Beilstein/REAXYS Number:
1683438
MDL number:
Assay:
99%
Form:
liquid
InChI key
ZQBFAOFFOQMSGJ-UHFFFAOYSA-N
InChI
1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9
SMILES string
Fc1c(F)c(F)c(F)c(F)c1F
assay
99%
form
liquid
Quality Level
bp
80-82 °C (lit.)
mp
3.7-4.1 °C (lit.)
density
1.612 g/mL at 25 °C (lit.)
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Application
Hexafluorobenzene can react with:
It can be used:
- 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.
signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
50.0 °F - closed cup
flash_point_c
10 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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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)
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)
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
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
Benjamin W Gung et al.
The Journal of organic chemistry, 71(25), 9261-9270 (2006-12-02)
Parallel displaced and sandwich configurations of hexafluorobenzene-substituted benzene dimers are studied by ab initio molecular orbital methods up to the MP2(full)/aug-cc-pVDZ level of theory to reveal how substituents influence pi-pi interactions. Two minimum energy configurations are found, one with the
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