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CS-W001157 4
Total: USD 88.00

1-(3-Fluorobenzyl)-5-nitro-1H-indazole

  • CAS No. 529508-58-5

  • Cat. No. CS-0453290
  • Molecule weight271.25
  • Purity≥98%
  • MDL No.None

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

1-(3-Fluorobenzyl)-5-nitro-1H-indazole|CS-0453290

Structure of 529508-58-5

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General Information

  • CAS No. 529508-58-5
  • Cat. No. CS-0453290
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀FN₃O₂
  • Molecular Weight 271.25
  • Synonym(s) 1-[(3-Fluorophenyl)methyl]-5-nitro-1H indazole
  • SMILES C1=CC(=CC(=C1)F)CN2C3=CC=C(C=C3C=N2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2005/58245 A2, 2005 ; Location in patent: Page/Page column 32-33 ; WO 2005/058245 A2
  • Route2
    • null|null
      456-41-7
    • In-stock
      5-Nitro-1H-indazole|CS-B1273
      5401-94-5
    • ~40%
    • 1-(3-Fluorobenzyl)-5-nitro-1H-indazole|CS-0453290
      529508-58-5
    • 2-[(3-Fluorophenyl)methyl]-5-nitro-2h-indazole|CS-0746505
      884874-01-5

    References

    • WO2009/33581 A1, ; Page/Page column 61 ;
  • Route3
    • null|null
      456-41-7
    • ~45%
    • 1-(3-Fluorobenzyl)-5-nitro-1H-indazole|CS-0453290
      529508-58-5

    References

    • JANSSEN PHARMACEUTICA, N.V. Patent: WO2006/118749 A1, 2006 ; Location in patent: Page/Page column 96 ; WO 2006/118749 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   3.1319
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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