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CS-W001157 4
Total: USD 88.00

Pentafluoro(4-nitrophenyl)-λ6-sulfane

  • CAS No. 2613-27-6

  • Cat. No. CS-0313620
  • Purity≥95%
  • MDL No.MFCD00221619

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

Pentafluoro(4-nitrophenyl)-λ6-sulfane|CS-0313620

Structure of 2613-27-6

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General Information

  • CAS No. 2613-27-6
  • Cat. No. CS-0313620
  • Purity ≥95%
  • MDL No. MFCD00221619
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄F₅NO₂S
  • Molecular Weight 249.16
  • Synonym(s) 4-Nitrophenylsulfur Pentafluoride
  • SMILES C1=C(C=CC(=C1)S(F)(F)(F)(F)F)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      1526-28-9
    • ~59%
    • In-stock
      Pentafluoro(4-nitrophenyl)-λ6-sulfane|CS-0313620
      2613-27-6

    References

    • British Nuclear Fuels plc Patent: US6747178 B1, 2004 ; Location in patent: Page column 6 ;
  • Route2

    References

    • AIR PRODUCTS AND CHEMICALS, INC. Patent: EP1484318 A1, 2004 ; Location in patent: Page 10; 11 ;
  • Route3
    • 4-Nitrophenyl hypochlorothioite|CS-0462322
      937-32-6
    • ~%
    • In-stock
      Pentafluoro(4-nitrophenyl)-λ6-sulfane|CS-0313620
      2613-27-6

    References

    • Umemoto, Teruo; Garrick, Lloyd M.; Saito, Norimichi Beilstein Journal of Organic Chemistry, 2012 , vol. 8, p. 461 - 471

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   4.2522
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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