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CS-W001157 4
Total: USD 88.00

8-Chloro-1-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one

  • CAS No. 91895-36-2

  • Cat. No. CS-0047302
  • Molecule weight288.61
  • Purity≥98%
  • MDL No.None

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

8-Chloro-1-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one|CS-0047302

Structure of 91895-36-2

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General Information

  • CAS No. 91895-36-2
  • Cat. No. CS-0047302
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₄ClF₃N₄O
  • Molecular Weight 288.61
  • Synonym(s) [1,2,4]Triazolo[4,3-a]quinoxalin-4-ol
  • SMILES O=C1NC2=CC=C(C=C2N3C1=NN=C3C(F)(F)F)Cl

Synthesis

  • Route1
    • 2,6-Dichloro-3-hydrazinylquinoxaline|CS-0259337
      91895-34-0
    • ~%
    • 8-Chloro-1-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one|CS-0047302
      91895-36-2

    References

    • Pfizer Inc. Patent: US4495187 A1, 1985 ;
  • Route2
    • 2,6-Dichloro-3-hydrazinylquinoxaline|CS-0259337
      91895-34-0
    • null|null
      76-05-1
    • ~55%
    • 8-Chloro-1-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one|CS-0047302
      91895-36-2

    References

    • Sarges, Reinhard; Howard, Harry R.; Browne, Ronald G.; Lebel, Lorraine A.; Seymour, Patricia A.; Koe, B. Kenneth Journal of Medicinal Chemistry, 1990 , vol. 33, # 8 p. 2240 - 2254
  • Route3

    References

    • Sarges, Reinhard; Howard, Harry R.; Browne, Ronald G.; Lebel, Lorraine A.; Seymour, Patricia A.; Koe, B. Kenneth Journal of Medicinal Chemistry, 1990 , vol. 33, # 8 p. 2240 - 2254

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   63.05
  • LogP   0.5708
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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