880-78-4

Basic information

• Product Name: PENTAFLUORONITROBENZENE
• Synonyms: pentaflurophenylacetic acid;Pentafluoronitrobenzene,98%;Pentafluoronitrobenzene 98%;1-Nitropentafluorobenzene;2,3,4,5,6-Pentafluoro-1-nitrobenzene;PENTAFLUORONITROBENZ;1-Nitro-2,3,4,5,6-pentafluorobenzene, Perfluoronitrobenzene;2,3,4,5,6-PENTAFLUORONITROBENZENE
• CAS NO: 880-78-4
• Molecular Formula: C₆F₅NO₂
• Molecular Weight: 213.06
• EINECS: 212-915-4
• Product Categories: Nitro Compounds;Nitrogen Compounds;Organic Building Blocks
• Mol File: 880-78-4.mol
• Article Data: 7

Chemical Properties

• Melting Point: -22.65°C
• Boiling Point: 158-161 °C(lit.)
• Flash Point: 195 °F
• Appearance: Clear colorless to light yellow liquid
• Density: 1.656 g/mL at 25 °C(lit.)
• Vapor Pressure: 3.24mmHg at 25°C
• Refractive Index: n20/D 1.447(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: PENTAFLUORONITROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: PENTAFLUORONITROBENZENE(880-78-4)
• EPA Substance Registry System: PENTAFLUORONITROBENZENE(880-78-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• Hazardous Substances Data: 880-78-4(Hazardous Substances Data)

Usage

Uses

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

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.

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

Upstream product

• 1423-13-8 pentafluoronitrosobenzene 
• 5580-79-0 2,3,4,5-tetrafluoro-1-nitrobenzene 
• 126-33-0 sulfolane 
• 363-72-4 Pentafluorobenzene 
• 7697-37-2 nitric acid 
• 771-60-8 2,3,4,5,6-pentafluoroaniline 
• 407-25-0 trifluoroacetic anhydride 
• 5272-26-4 trifluoro(pentafluorophenyl)silane 
• 143896-70-2 N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanimine 
• 853-75-8 N-pentafluorophenyl-pentafluorophenylaldimine 

Downstream Products

• 1887-73-6 4-methoxy-2,3,5,6-tetrafluoronitrobenzene 
• 464-72-2 tetraphenylethane-1,2-diol 
• 10304-79-7 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene 
• 70446-75-2 diethyl (2,3,4,5-tetrafluoro-6-nitrophenyl)phosphonate 
• 70446-80-9 diethyl (2,3,5,6-tetrafluoro-4-nitrophenyl)phosphonate 
• 96631-26-4 1,3,5-Triethoxy-2,4-difluoro-6-nitro-benzene 
• 771-60-8 2,3,4,5,6-pentafluoroaniline 
• 20994-04-1 4-hydroxy-2,3,5,6-tetrafluoronitrobenzene 
• 1038-66-0 octafluorobenzidine 
• 3905-96-2 4,4'-dinitrooctafluorodiphenyl 
• 69173-92-8 4-azido-1-nitro-2,3,5,6-tetrafluorobenzene 
• 34883-24-4 bis(4-nitro-2,3,5,6-tetrafluorophenyl) sulfide 
• 38727-31-0 4,4'-dinitrooctafluorodiphenylamine 
• 776-16-9 2,3,5,6-tetrafluoro-4-nitroaniline 

Relevant articles and documents

Sequential continuous flow processes for the oxidation of amines and azides by using HOF·MeCN

The generation and use of the highly potent oxidising agent HOF·MeCN in a controlled single continuous flow process is described. Oxidations of amines and azides to corresponding nitrated systems by using fluorine gas, water and acetonitrile by sequential gas-liquid/liquid-liquid continuous flow procedures are reported. Oxidation in flow: The oxidation of amines and azides to the corresponding nitrated systems by using fluorine gas, water and acetonitrile by sequential gas-liquid/liquid-liquid continuous flow procedures are reported. Copyright

Fluorination of tetrafluorobenzenes C6HF4R with XeF2

Replacement of hydrogen by fluorine and addition of fluorine atoms to the aromatic ring were found in the reaction of XeF2 with 1-R-2,3,4,5-tetrafluorobenzene (R = H, F, Br, NO2) or 1-R-2,3,4,6-tetrafluorobenzene (R = H, CF3) in HF or CH2Cl2-BF3·OEt2. Only fluorine addition took place in the case of 1-R-2,3,5,6-tetrafluorobenzenes (R = H, Br, CF3) or 1-Br-2,3,4,6-tetrafluorobenzene. The role of cation radicals as reactive intermediates is discusseed.

Preparation, NMR spectra and reactivity of pentafluorophenyltetrafluorosilicates M+-

Pentafluorophenyltetrafluorosilicates M+ - were obtained from pentafluorophenyltrifluorosilane C6F5SiF3 and ionic fluorides MF (M=K, Cs, Me4N) in anhydrous MeCN or diglyme.The reactivity of M+ - toward electrophiles was studied.Keywords: Pentafluorophenyl; Fluorosilicate anion; Desilylation