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CS-W001157 4
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2-(Perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate

  • CAS No. 862095-91-8

  • Cat. No. CS-B0758
  • Purity≥97%
  • MDL No.MFCD08459335

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

2-(Perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate|CS-B0758

Structure of 862095-91-8

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General Information

  • CAS No. 862095-91-8
  • Cat. No. CS-B0758
  • Purity ≥97%
  • MDL No. MFCD08459335
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇BF₉N₃
  • Molecular Weight 362.99
  • Synonym(s) 6,7-Dihydro-2-pentafluorophenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium tetrafluoroborate
  • SMILES FC1=C(C(F)=C(C(F)=C1F)F)[N+]2=CN3C(CCC3)=N2.FB(F)F.[F-]

Synthesis

  • Route1
    • null|null
      616-45-5
    • null|null
      122-51-0
    • In-stock
      (2,3,4,5,6-Pentafluorophenyl)hydrazine|CS-0098457
      828-73-9
    • ~48%
    • In-stock
      2-(Perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate|CS-B0758
      862095-91-8

    References

    • Thomson, Jennifer E.; Campbell, Craig D.; Concellon, Carmen; Duguet, Nicolas; Rix, Kathryn; Slawin, Alexandra M. Z.; Smith, Andrew D. Journal of Organic Chemistry, 2008 , vol. 73, # 7 p. 2784 - 2791
  • Route2
    • null|null
      616-45-5
    • null|null
      420-37-1
    • null|null
      122-51-0
    • In-stock
      (2,3,4,5,6-Pentafluorophenyl)hydrazine|CS-0098457
      828-73-9
    • ~%
    • In-stock
      2-(Perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate|CS-B0758
      862095-91-8

    References

    • Vora, Harit U.; Lathrop, Stephen P.; Reynolds, Nathan T.; Kerr, Mark S.; De Alaniz, Javier Read; Rovis, Tomislav; Chennamadhavuni, Spandan; Davies, Huw M. L. Organic Syntheses, 2010 , vol. 87, p. 350 - 361

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   21.7
  • LogP   -0.3147
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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