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F6001

Sigma-Aldrich

Fluorobenzene

99%

Synonym(s):

Monofluorobenzene, Phenyl fluoride

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About This Item

Empirical Formula (Hill Notation):
C6H5F
CAS Number:
462-06-6
Molecular Weight:
96.10
Beilstein:
1236623
EC Number:
207-321-7
MDL number:
MFCD00000280
UNSPSC Code:
12352100
PubChem Substance ID:
24894898
NACRES:
NA.22

vapor density

3.31 (vs air)

Quality Level

200

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

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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.

Signal Word

Danger

Hazard Statements

H225,H318,H411

Hazard Classifications

Aquatic Chronic 2 - Eye Dam. 1 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

5.0 °F - closed cup

Flash Point(C)

-15 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
Catalytic C- C bond formation through selective activation of C- F bonds.
Bohm, Volker PW et al.
Angewandte Chemie (International Edition in English), 40(18), 3387-3389 (2001)
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