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CS-W001157 4
Total: USD 88.00

4-(1h-Indol-3-yl)butan-2-one

  • CAS No. 5541-89-9

  • Cat. No. CS-0246569
  • Molecule weight187.24
  • Purity≥97%
  • MDL No.MFCD00047198

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

4-(1h-Indol-3-yl)butan-2-one|CS-0246569

Structure of 5541-89-9

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General Information

  • CAS No. 5541-89-9
  • Cat. No. CS-0246569
  • Purity ≥97%
  • MDL No. MFCD00047198
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO
  • Molecular Weight 187.24
  • Synonym(s) 4-(1H-Indol-3-yl)butanone
  • SMILES CC(=O)CCC1=CNC2=CC=CC=C12

Synthesis

  • Route1
    • Indole, ≥99%|CS-1268948
      120-72-9
    • null|null
      78-94-4
    • ~99%
    • In-stock
      4-(1h-Indol-3-yl)butan-2-one|CS-0246569
      5541-89-9

    References

    • Mohammadpoor-Baltork, Iraj; Reza Memarian, Hamid; Reza Khosropour, Ahmad; Nikoofar, Kobra Heterocycles, 2006 , vol. 68, # 9 p. 1837 - 1843
  • Route2
    • Indole, ≥99%|CS-1268948
      120-72-9
    • null|null
      922-67-8
    • ~67%
    • In-stock
      4-(1h-Indol-3-yl)butan-2-one|CS-0246569
      5541-89-9

    References

    • Komoto, Ichiro; Kobayashi, Shu Journal of Organic Chemistry, 2004 , vol. 69, # 3 p. 680 - 688
  • Route3
    • In-stock
      1-Methylindole Ramosetron Impurity|CS-0161767
      603-76-9
    • null|null
      78-94-4
    • ~85%
    • In-stock
      4-(1h-Indol-3-yl)butan-2-one|CS-0246569
      5541-89-9

    References

    • Gu, Yanlong; Barrault, Joel; Jerome, Francois Advanced Synthesis and Catalysis, 2008 , vol. 350, # 13 p. 2007 - 2012

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   32.86
  • LogP   2.6895
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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