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CS-W001157 4
Total: USD 88.00

3-Methyl-5-nitro-1H-indole

  • CAS No. 61861-88-9

  • Cat. No. CS-0415942
  • Purity≥98%
  • MDL No.MFCD00277073

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

3-Methyl-5-nitro-1H-indole|CS-0415942

Structure of 61861-88-9

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General Information

  • CAS No. 61861-88-9
  • Cat. No. CS-0415942
  • Purity ≥98%
  • MDL No. MFCD00277073
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 3-HYDROXY-4-NITRO-1H-INDAZOLE
  • SMILES O=[N+](C1=CC2=C(NC=C2C)C=C1)[O-]

Synthesis

  • Route1
    • null|null
      3078-02-2
    • ~82%
    • In-stock
      3-Methyl-5-nitro-1H-indole|CS-0415942
      61861-88-9

    References

    • Katritzky, Alan R.; Rachwal, Stanislaw; Bayyuk, Shibli Organic Preparations and Procedures International, 1991 , vol. 23, # 3 p. 357 - 364
  • Route2
    • null|null
      106-95-6
    • null|null
      121-87-9
    • ~61%
    • In-stock
      3-Methyl-5-nitro-1H-indole|CS-0415942
      61861-88-9

    References

    • Weinrich, Melissa L.; Beck, Hilary P. Tetrahedron Letters, 2009 , vol. 50, # 50 p. 6968 - 6972
  • Route3
    • null|null
      60891-75-0
    • ~85%
    • In-stock
      3-Methyl-5-nitro-1H-indole|CS-0415942
      61861-88-9

    References

    • Hosaan, Aisha; Fadda, Ahmed A. Journal of Heterocyclic Chemistry, 2013 , vol. 50, # 3 p. 638 - 644

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   58.93
  • LogP   2.38452
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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