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CS-W001157 4
Total: USD 88.00

5-Ethynyl-1H-indole

  • CAS No. 889108-48-9

  • Cat. No. CS-0468086
  • Purity≥98%
  • MDL No.MFCD11655760

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

5-Ethynyl-1H-indole|CS-0468086

Structure of 889108-48-9

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General Information

  • CAS No. 889108-48-9
  • Cat. No. CS-0468086
  • Purity ≥98%
  • MDL No. MFCD11655760
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇N
  • Molecular Weight 141.17
  • Synonym(s) (1H-Indol-5-yl)acetylene
  • SMILES C#CC1=CC2=C(C=C1)NC=C2

Synthesis

  • Route1
    • null|null
      907179-76-4
    • ~73%
    • In-stock
      5-Ethynyl-1H-indole|CS-0468086
      889108-48-9

    References

    • NEUROSEARCH A/S Patent: WO2006/87306 A2, 2006 ; Location in patent: Page/Page column 24-25 ; WO 2006/087306 A1
  • Route2
    • null|null
      959918-20-8
    • ~39%
    • In-stock
      5-Ethynyl-1H-indole|CS-0468086
      889108-48-9

    References

    • UCB PHARMA S.A. Patent: WO2007/141504 A1, 2007 ; Location in patent: Page/Page column 60 ; WO 2007/141504 A1
  • Route3
    • In-stock
      1-Boc-5-iodoindole|CS-0212134
      374818-66-3
    • null|null
      1066-54-2
    • ~48%
    • In-stock
      5-Ethynyl-1H-indole|CS-0468086
      889108-48-9

    References

    • Yu, Robert T.; Rovis, Tomislav Journal of the American Chemical Society, 2006 , vol. 128, # 38 p. 12370 - 12371

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   15.79
  • LogP   2.1492
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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