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Merck
CN

262218

五氟硝基苯

98%

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线性分子式:
C6F5NO2
化学文摘社编号:
分子量:
213.06
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
212-915-4
MDL number:
Assay:
98%
Form:
liquid
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form

liquid

InChI key

INUOFQAJCYUOJR-UHFFFAOYSA-N

InChI

1S/C6F5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9

SMILES string

[O-][N+](=O)c1c(F)c(F)c(F)c(F)c1F

assay

98%

refractive index

n20/D 1.447 (lit.)

bp

158-161 °C (lit.)

density

1.656 g/mL at 25 °C (lit.)

functional group

fluoro, nitro

Quality Level

General description

Electron attachment to pentafluoronitrobenzene has been studied in the energy range 0-16eV by means of a crossed electron-molecular beam experiment with mass spectrometric detection of the anions. The electroreduction of pentafluoronitrobenzene in dimethylformamide solution results in the formation of the dimer, octafluoro-4,4′-dinitro-biphenyl.

Application

Pentafluoronitrobenzene has been used in the preparation of p-azidotetrafluoroaniline, a new photoaffinity reagent.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

195.8 °F - closed cup

flash_point_c

91 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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K A Chehade et al.
The Journal of organic chemistry, 65(16), 4949-4953 (2000-08-24)
p-Azidotetrafluoroaniline (1) was synthesized in 65-73% yield by two different methods employing a stable carbamate intermediate. The first method trapped the intermediate isocyanate generated via a modified Curtius rearrangement with 2-methyl-2-propanol or 2-(trimethylsilyl)ethanol to form the stable carbamates 2d and
Voltammetry under high mass transport conditions. The application of the high speed channel electrode to the reduction of pentafluoronitrobenzene.
Coles BA, et al.
Journal of Electroanalytical Chemistry, 411(1), 121-127 (1996)
Judith Langer et al.
Physical chemistry chemical physics : PCCP, 10(11), 1523-1531 (2008-03-11)
Electron attachment to pentafluorobenzonitrile (C(6)F(5)CN) and pentafluoronitrobenzene (C(6)F(5)NO(2)) is studied in the energy range 0-16 eV by means of a crossed electron-molecular beam experiment with mass spectrometric detection of the anions. We find that pentafluoronitrobenzene exclusively generates fragment anions via

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