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126152

Sigma-Aldrich

1,2-Difluorobenzene

98%

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Synonym(s):
o-Difluorobenzene
Empirical Formula (Hill Notation):
C6H4F2
CAS Number:
Molecular Weight:
114.09
Beilstein:
1905113
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

liquid

refractive index

n20/D 1.443 (lit.)

bp

92 °C (lit.)

mp

−34 °C (lit.)

density

1.158 g/mL at 25 °C (lit.)

SMILES string

Fc1ccccc1F

InChI

1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H

InChI key

GOYDNIKZWGIXJT-UHFFFAOYSA-N

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1 of 4

This Item
404330330841556440
1,2-Difluorobenzene 98%

126152

1,2-Difluorobenzene

1-Ethynyl-4-fluorobenzene 99%

404330

1-Ethynyl-4-fluorobenzene

5-Bromo-1,2,3-trifluorobenzene 99%

330841

5-Bromo-1,2,3-trifluorobenzene

1-Ethynyl-2,4-difluorobenzene 97%

556440

1-Ethynyl-2,4-difluorobenzene

mp

−34 °C (lit.)

mp

26-27 °C (lit.)

mp

-

mp

29-32 °C (lit.)

density

1.158 g/mL at 25 °C (lit.)

density

1.048 g/mL at 25 °C (lit.)

density

1.767 g/mL at 25 °C (lit.)

density

-

form

liquid

form

solid

form

liquid

form

-

bp

92 °C (lit.)

bp

55-56 °C/40 mmHg (lit.)

bp

47-49 °C/60 mmHg (lit.)

bp

-

refractive index

n20/D 1.443 (lit.)

refractive index

n20/D 1.516 (lit.)

refractive index

n20/D 1.482 (lit.)

refractive index

-

General description

1,2-Difluorobenzene undergoes defluorination under very mild conditions by H2 in the presence of NaOAc over rhodium pyridylphosphine and bipyridyl complexes tethered on a silica-supported palladium catalyst.

Application

1,2-Difluorobenzene(1,2-DFB) has been used to study the mechanism of dissociation of o-, m- and p-difluorobenzene ions by threshold photoelectron photoion coincidence spectroscopy. It has been used to study the room temperature adsorption of 1,2-DFB, 1,2-dichlorobenzene and 1,2-dibromobenzene on Si(100)2x1 by X-ray photoelectron spectroscopy and temperature programmed desorption. It was used as solvent in electrochemical studies on transition metal complexes.
Solvent useful for electrochemical studies on transition metal complexes.

Pictograms

Flame

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

33.8 °F - closed cup

Flash Point(C)

1 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Hydrodefluorination of fluorobenzene and 1, 2-difluorobenzene under mild conditions over rhodium pyridylphosphine and bipyridyl complexes tethered on a silica-supported palladium catalyst.
Yang H, et al.
Organometallics, 18(12), 2285-2287 (1999)
Competition between associative and dissociative adsorption of 1, 2-dihalogenated benzenes on Si (100) 2? 1: Formation of dihalocyclohexadiene, halophenyl and phenylene adstructures.
Zhou XJ and Leung KT.
Surface Science, 600(16), 3285-3296 (2006)
I M Rietjens et al.
Biochemistry, 32(18), 4801-4812 (1993-05-11)
In the present study, a hypothesis is presented for the prediction of the regioselectivity of cytochrome P-450 catalyzed hydroxylation of fluorobenzenes. The regioselectivity of the in vivo hydroxylation of fluorobenzene, 1,2-difluorobenzene, 1,3-difluorobenzene, 1,2,3-triluorobenzene, and 1,2,4-triflurobenzene could be predicted within 6%
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Adrian Romero-Flores et al.
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