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线性分子式:
F2C6H3NO2
化学文摘社编号:
分子量:
159.09
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
242-793-8
MDL number:
Assay:
98%
Form:
solid
产品名称
2,6-二氟硝基苯, 98%
form
solid
InChI key
SSNCMIDZGFCTST-UHFFFAOYSA-N
InChI
1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
SMILES string
[O-][N+](=O)c1c(F)cccc1F
assay
98%
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
Quality Level
Application
2,6-二氟硝基苯可用于制备合成两个一氧化氮供体家族所需的仲胺前体。
General description
2,6-二氟硝基苯是一种有机结构单元。通过气相电子衍射(GED),MP2从头开始和B3LYP密度功能计算研究了2,6-二氟硝基苯的分子结构、构象和内部旋转的潜力。
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
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
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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