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CS-W001157 4
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1-(5-Nitro-1h-indol-3-yl)ethan-1-one

  • CAS No. 4771-10-2

  • Cat. No. CS-0251081
  • Molecule weight204.18
  • Purity≥98%
  • MDL No.None

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

1-(5-Nitro-1h-indol-3-yl)ethan-1-one|CS-0251081

Structure of 4771-10-2

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General Information

  • CAS No. 4771-10-2
  • Cat. No. CS-0251081
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₃
  • Molecular Weight 204.18
  • Synonym(s) 1-(5-nitro-1H-indol-3-yl)ethanone
  • SMILES CC(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Wyeth Patent: US2003/232843 A1, 2003 ; Location in patent: Page 11 ; US 20030232843 A1
  • Route2
    • null|null
      1363843-81-5
    • ~95%
    • 1-(5-Nitro-1h-indol-3-yl)ethan-1-one|CS-0251081
      4771-10-2

    References

    • Venkatanarayana; Dubey, Pramod K. Letters in Organic Chemistry, 2011 , vol. 8, # 9 p. 656 - 662
  • Route3
    • null|null
      1363843-23-5
    • ~83%
    • 1-(5-Nitro-1h-indol-3-yl)ethan-1-one|CS-0251081
      4771-10-2

    References

    • Venkatanarayana; Dubey, Pramod K. Letters in Organic Chemistry, 2011 , vol. 8, # 9 p. 656 - 662

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-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   76
  • LogP   2.2787
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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