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CS-W001157 4
Total: USD 88.00

Pentafluoronitrobenzene

  • CAS No. 880-78-4

  • Cat. No. CS-0121513
  • Purity≥98%
  • MDL No.MFCD00007049

*For research and further manufacturing use only, not for direct human use.

Pentafluoronitrobenzene|CS-0121513

Structure of 880-78-4

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General Information

  • CAS No. 880-78-4
  • Cat. No. CS-0121513
  • Purity ≥98%
  • MDL No. MFCD00007049
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆F₅NO₂
  • Molecular Weight None
  • Synonym(s) 1,2,3,4,5-pentafluoro-6-nitrobenzene
  • SMILES O=[N+](C1=C(F)C(F)=C(F)C(F)=C1F)[O-]

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

Synthesis

  • Route1
    • null|null
      363-72-4
    • ~79%
    • In-stock
      Pentafluoronitrobenzene|CS-0121513
      880-78-4

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 22, # 4 p. 742 - 748 Zhurnal Organicheskoi Khimii, , vol. 22, # 4 p. 831 - 837
  • Route2

    References

    • ChemSusChem, , vol. 5, # 2 p. 312 - 319
  • Route3
    • null|null
      1423-13-8
    • ~99%
    • In-stock
      Pentafluoronitrobenzene|CS-0121513
      880-78-4

    References

    • Journal of Fluorine Chemistry, , vol. 22, p. 345 - 376

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.2903
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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