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About This Item
Linear Formula:
F2C6H3NO2
CAS Number:
Molecular Weight:
159.09
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
assay
99%
form
liquid
refractive index
n20/D 1.499 (lit.)
bp
176-177 °C (lit.)
mp
17 °C (lit.)
density
1.407 g/mL at 25 °C (lit.)
SMILES string
[O-][N+](=O)c1cc(F)cc(F)c1
InChI
1S/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChI key
AUQBBDWDLJSKMI-UHFFFAOYSA-N
General description
Molecular structure of 3,5-difluoronitrobenzene was studied by gas-phase electron diffraction, MP2 ab initio and by B3LYP density functional calculations.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
165.2 °F - closed cup
flash_point_c
74 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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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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