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262218

Sigma-Aldrich

Pentafluoronitrobenzene

98%

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About This Item

Linear Formula:
C6F5NO2
CAS Number:
880-78-4
Molecular Weight:
213.06
EC Number:
212-915-4
MDL number:
MFCD00007049
UNSPSC Code:
12352100
PubChem Substance ID:
24855863
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.447 (lit.)

bp

158-161 °C (lit.)

density

1.656 g/mL at 25 °C (lit.)

functional group

fluoro

SMILES string

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

InChI

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

InChI key

INUOFQAJCYUOJR-UHFFFAOYSA-N

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
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

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

195.8 °F - closed cup

Flash Point(C)

91 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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