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2,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethanone

  • CAS No. 318-54-7

  • Cat. No. CS-0162673
  • Molecule weight227.18
  • Purity95+%
  • MDL No.MFCD02571216

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

2,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethanone|CS-0162673

Structure of 318-54-7

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General Information

  • CAS No. 318-54-7
  • Cat. No. CS-0162673
  • Purity 95+%
  • MDL No. MFCD02571216
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈F₃NO
  • Molecular Weight 227.18
  • Synonym(s) 1-Methyl-3-(trifluoroacetyl)-1H-indole
  • SMILES O=C(C(F)(F)F)C1=CN(C)C2=C1C=CC=C2

Synthesis

  • Route1

    References

    • Hassinger, Heidi L.; Soll, Richard M.; Gribble, Gordon W. Tetrahedron Letters, 1998 , vol. 39, # 20 p. 3095 - 3098
  • Route2

    References

    • Monsanto Company Patent: US5994270 A1, 1999 ;
  • Route3

    References

    • Kiselyov, Alexander S. Tetrahedron Letters, 1995 , vol. 36, # 23 p. 4005 - 4008

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   25.16
  • LogP   2.774
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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