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CS-W001157 4
Total: USD 88.00

2-(Trifluoromethyl)-1H-indole

  • CAS No. 51310-54-4

  • Cat. No. CS-W016961
  • Purity≥97%
  • MDL No.MFCD04972104

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

2-(Trifluoromethyl)-1H-indole|CS-W016961

Structure of 51310-54-4

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General Information

  • CAS No. 51310-54-4
  • Cat. No. CS-W016961
  • Purity ≥97%
  • MDL No. MFCD04972104
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃N
  • Molecular Weight 185.15
  • Synonym(s) 2-Trifluoromethylindole
  • SMILES FC(C(N1)=CC2=C1C=CC=C2)(F)F

Description

2-(Trifluoromethyl)-1H-indole features a trifluoromethyl group at the 2-position of the indole core, conferring enhanced electron-withdrawing character and improved metabolic stability. This structural motif enables direct incorporation into pharmaceutical scaffolds and functional materials, particularly in kinase inhibitors and bioactive heterocycles. The compound exhibits robust bench stability and compatibility with diverse reaction conditions.

Synthesis

  • Route1
    • null|null
      1242592-58-0
    • ~93%
    • In-stock
      2-(Trifluoromethyl)-1H-indole|CS-W016961
      51310-54-4

    References

    • Russian Chemical Bulletin, , vol. 57, # 10 p. 2217 - 2219
  • Route2
    • Indole, ≥99%|CS-1268948
      120-72-9
    • In-stock
      1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one|CS-W001669
      887144-94-7
    • ~34%
    • In-stock
      2-(Trifluoromethyl)-1H-indole|CS-W016961
      51310-54-4

    References

    • Tetrahedron Letters, , vol. 51, # 45 p. 5947 - 5949
  • Route3
    • null|null
      17983-42-5
    • null|null
      2314-97-8
    • ~30%
    • Indole, ≥99%|CS-1268948
      120-72-9
    • In-stock
      2-(Trifluoromethyl)-1H-indole|CS-W016961
      51310-54-4
    • In-stock
      3-(Trifluoromethyl)-1H-indole|CS-0008617
      51310-55-5

    References

    • Journal of Organic Chemistry, , vol. 48, # 19 p. 3220 - 3234

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   3.1867
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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