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382957

Sigma-Aldrich

2,6-Difluoronitrobenzene

98%

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About This Item

Linear Formula:
F2C6H3NO2
CAS Number:
19064-24-5
Molecular Weight:
159.09
EC Number:
242-793-8
MDL number:
MFCD00192035
UNSPSC Code:
12352100
PubChem Substance ID:
24863927
NACRES:
NA.22

Quality Level

200

Assay

98%

form

solid

refractive index

n20/D 1.494 (lit.)

bp

91-92 °C/11 mmHg (lit.)

density

1.503 g/mL at 25 °C (lit.)

functional group

fluoro
nitro

SMILES string

[O-][N+](=O)c1c(F)cccc1F

InChI

1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H

InChI key

SSNCMIDZGFCTST-UHFFFAOYSA-N

General description

2,6-Difluoronitrobenzene is an organic building block. Molecular structure, conformation and potential to internal rotation of 2,6-difluoronitrobenzene been studied by gas-phase electron diffraction (GED), MP2 ab initio, and by B3LYP density functional calculations.

Application

2,6-Difluoronitrobenzene may be used in the preparation of secondary amine precursors, required for the synthesis of two families of nitric oxide donors.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

190.4 °F - closed cup

Flash Point(C)

88 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH8959
BCCG7503
BCCF7427
BCCC3943
BCBQ8736V

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Brandon Curtis et al.
Bioorganic & medicinal chemistry, 21(5), 1123-1135 (2013-02-05)
Atherosclerosis, a leading cause of death worldwide, is associated with the excessive proliferation of vascular smooth muscle cells. Nitrogen monoxide, more commonly known as nitric oxide, inhibits this uncontrolled proliferation. Herein we report the preparation of two families of nitric
Olga V Dorofeeva et al.
The journal of physical chemistry. A, 112(22), 5002-5009 (2008-05-09)
3,5-Difluoronitrobenzene (3,5-DFNB) and 2,6-difluoronitrobenzene (2,6-DFNB) have been studied by gas-phase electron diffraction (GED), MP2 ab initio, and by B3LYP density functional calculations. Refinements of r h1 and r e static and r h1 dynamic GED models were carried out for

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