126152
1,2-Difluorobenzene
98%
Synonym(s):
o-Difluorobenzene
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About This Item
Empirical Formula (Hill Notation):
C6H4F2
CAS Number:
Molecular Weight:
114.09
Beilstein:
1905113
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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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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.
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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Threshold photoelectron photoion coincidence (TPEPICO) experiments have shown that o-, m-, and p-difluorobenzene ions dissociate via a common, ring-opened intermediate and not via ionized p-difluorobenzene. Rice-Ramsperger-Kassel-Marcus (RRKM) modeling of the experimental breakdown curves yields activation energies for the initial isomerization
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