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126152

1,2-Difluorobenzene

Name: 1,2-Difluorobenzene
Brand: ALDRICH

98%

Synonym(s):

o-Difluorobenzene

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About This Item

Empirical Formula (Hill Notation):

C₆H₄F₂

CAS Number:

367-11-3

Molecular Weight:

114.09

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24847704

EC Number:

206-680-7

Beilstein/REAXYS Number:

1905113

MDL number:

MFCD00000284

Assay:

98%

Form:

liquid

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Properties

Quality Level

200

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.)

functional group

fluoro

SMILES string

Fc1ccccc1F

InChI

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

InChI key

GOYDNIKZWGIXJT-UHFFFAOYSA-N

Description

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

GHS02

signalword

Danger

hcodes

H225

pcodes

P210

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

33.8 °F - closed cup

flash_point_c

1 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Inorganic Chemistry, 28, 3923-3923 (1989)

Ionized o-, m-, and p-difluorobenzene dissociate through ring-opened intermediates: a TPEPICO investigation.

Anne-Marie Boulanger et al.

Journal of the American Society for Mass Spectrometry, 20(1), 20-24 (2008-10-18)

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

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)

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Global Trade Item Number

SKU	GTIN
126152-10G	04061838723871
126152-50G	04061838723888