262218

Pentafluoronitrobenzene

98%

• 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

Properties

• Quality Level: 100
• 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; nitro
• 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

Description

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• 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: 195.8 °F - closed cup
• flash_point_c: 91 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter