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CS-W001157 4
Total: USD 88.00

3-Methyl-4-nitro-1H-indole

  • CAS No. 134271-94-6

  • Cat. No. CS-0468905
  • Molecule weight176.17
  • Purity≥98%
  • MDL No.MFCD00962288

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

3-Methyl-4-nitro-1H-indole|CS-0468905

Structure of 134271-94-6

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General Information

  • CAS No. 134271-94-6
  • Cat. No. CS-0468905
  • Purity ≥98%
  • MDL No. MFCD00962288
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) None
  • SMILES O=[N+](C1=CC=CC2=C1C(C)=CN2)[O-]

Synthesis

  • Route1
    • null|null
      51516-96-2
    • ~%
    • 3-Methyl-4-nitro-1H-indole|CS-0468905
      134271-94-6

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;
  • Route2
    • null|null
      99-09-2
    • ~%
    • 3-Methyl-4-nitro-1H-indole|CS-0468905
      134271-94-6

    References

    • Katritzky, Alan R.; Rachwal, Stanislaw; Bayyuk, Shibli Organic Preparations and Procedures International, 1991 , vol. 23, # 3 p. 357 - 364

Safety Information

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

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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