H8706
六氟苯
99%
别名:
六氟苯
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关于此项目
经验公式（希尔记法）:
C6F6
化学文摘社编号:
分子量:
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
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.)
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Application
六氟苯可与以下物质反应：
它可以用于：
- 在过渡金属卤化物存在下，与乙基溴化镁反应形成相应的全氟芳基镁化合物（可发生格氏反应）。
- 在1,3-二甲基-2-咪唑烷酮（DMEU）中与适当苯酚的钠盐反应，形成六(芳氧基)苯。
它可以用于：
- 作为合成新型钌(0)和锇(0)六氟苯配合物的配体。
- 在存在钌催化剂时，作为闭环复分解（RCM）的溶剂和助催化剂，形成四取代烯烃。
signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 2
存储类别
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
法规信息
危险化学品
此项目有
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)
A hexafluorobenzene promoted ring-closing metathesis to form tetrasubstituted olefins.
Rost D, et al.
Tetrahedron Letters, 49(41), 5968-5971 (2008)
Judy I Wu et al.
The journal of physical chemistry. A, 113(24), 6789-6794 (2009-05-29)
Despite having six highly electronegative F's, perfluorobenzene C(6)F(6) is as aromatic as benzene. Ab initio block-localized wave function (BLW) computations reveal that both C(6)F(6) and benzene have essentially the same extra cyclic resonance energies (ECREs). Localized molecular orbital (LMO)-nucleus-independent chemical
Rajesh K Raju et al.
Physical chemistry chemical physics : PCCP, 12(28), 7959-7967 (2010-06-03)
The effect of benzene fluorination on C-H...pi interactions is studied using a number of computational methods applied to a range of intermolecular complexes. High level wavefunction methods (CCSD(T)) predict a slightly greater interaction energy for complexes of benzene with methane
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