F6001
Fluorobenzene
99%
Synonym(s):
Monofluorobenzene, Phenyl fluoride
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About This Item
Empirical Formula (Hill Notation):
C6H5F
CAS Number:
Molecular Weight:
96.10
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-321-7
Beilstein/REAXYS Number:
1236623
MDL number:
Assay:
99%
vapor density
3.31 (vs air)
Quality Level
assay
99%
refractive index
n20/D 1.465 (lit.)
bp
85 °C (lit.)
mp
−42 °C (lit.)
density
1.024 g/mL at 25 °C (lit.)
SMILES string
Fc1ccccc1
InChI
1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
InChI key
PYLWMHQQBFSUBP-UHFFFAOYSA-N
Application
Fluorobenzene is generally used as a solvent in synthetic chemistry. It can also be used as an aryl fluoride precursor in the nickel-catalyzed cross-coupling reactions.
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signalword
Danger
hcodes
Hazard Classifications
Aquatic Chronic 2 - Eye Dam. 1 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
5.0 °F - closed cup
flash_point_c
-15 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Nickel-catalyzed Suzuki-Miyaura reaction of aryl fluorides.
Tobisu, Mamoru et al.
Journal of the American Chemical Society, 133(48), 19505-19511 (2011)
Reactions of a cyclic rhodium carbenoid with aromatic compounds and vinyl ethers.
Pirrung, Michael C et al.
The Journal of Organic Chemistry, 60(7), 2112-2124 (1995)
Coordinatively unsaturated ruthenium phosphine half-sandwich complexes: Correlations to structure and reactivity.
Aneetha, Halikhedkar et al.
Organometallics, 21(24), 5334-5346 (2002)