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3-Iodo-5-nitro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole

  • CAS No. 918440-15-0

  • Cat. No. CS-0564051
  • Purity≥98%
  • MDL No.None

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

3-Iodo-5-nitro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazole|CS-0564051

Structure of 918440-15-0

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General Information

  • CAS No. 918440-15-0
  • Cat. No. CS-0564051
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈IN₃O₃Si
  • Molecular Weight 419.29
  • Synonym(s) 3-iodo-5-nitro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-indazole
  • SMILES IC1=NN(COCC[Si](C)(C)C)C2=C1C=C(C=C2)[N+]([O-])=O

Synthesis

  • Route1

    References

    • Crestey, Francois; Collot, Valerie; Stiebing, Silvia; Rault, Sylvain Synthesis, 2006 , # 20 p. 3506 - 3514
  • Route2

    References

    • Damour, Dominique; Carry, Jean-Christophe; Nemecek, Patrick; Terrier, Corinne; Nardi, Frederico; Filoche, Bruno; Cherrier, Marie-Pierre; Bezard, Daniel Patent: US2004/106667 A1, 2004 ; US 20040106667 A1
  • Route3

    References

    • Crestey, Francois; Collot, Valerie; Stiebing, Silvia; Rault, Sylvain Synthesis, 2006 , # 20 p. 3506 - 3514

Safety Information

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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   70.19
  • LogP   3.8614
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   6

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