382957
2,6-Difluoronitrobenzene
98%
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About This Item
Linear Formula:
F2C6H3NO2
CAS Number:
Molecular Weight:
159.09
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
242-793-8
MDL number:
Assay:
98%
Form:
solid
Quality Level
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
190.4 °F - closed cup
flash_point_c
88 °C - closed cup
ppe
Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 382957-1G | 04061836820404 |
| 382957-5G | 04061832106847 |