| Identification | More | [Name]
PENTAFLUORONITROBENZENE | [CAS]
880-78-4 | [Synonyms]
2,3,4,5,6-PENTAFLUORONITROBENZENE
PENTAFLUORONITROBENZENE
1,2,3,4,5-Pentafluoro-6-nitrobenzene
benzene,pentafluoronitro-
Nitropentafluorobenzene
pentaflurophenylacetic acid
Pentafluoronitrobenzene,98%
Pentafluoronitrobenzene 98%
1-Nitropentafluorobenzene
2,3,4,5,6-Pentafluoro-1-nitrobenzene | [EINECS(EC#)]
212-915-4 | [Molecular Formula]
C6F5NO2 | [MDL Number]
MFCD00007049 | [Molecular Weight]
213.06 | [MOL File]
880-78-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
-22.65°C | [Boiling point ]
158-161 °C(lit.) | [density ]
1.656 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.447(lit.)
| [Fp ]
195 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Yellow | [InChI]
1S/C6F5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9 | [InChIKey]
INUOFQAJCYUOJR-UHFFFAOYSA-N | [SMILES]
[O-][N+](=O)c1c(F)c(F)c(F)c(F)c1F | [CAS DataBase Reference]
880-78-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29049090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Boiling point 158℃-161℃, flash point 90℃, refractive index 1.4470, specific gravity 1.061. | [Uses]
Pentafluoronitrobenzene has been used in the preparation of p-azidotetrafluoroaniline, a new photoaffinity reagent. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 60, p. 7348, 1995 DOI: 10.1021/jo00127a048 | [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. |
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