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CS-W001157 4
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5-Cyanoindole-3-carboxyaldehyde

  • CAS No. 17380-18-6

  • Cat. No. CS-W019424
  • Purity≥98%
  • MDL No.MFCD01719101

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

5-Cyanoindole-3-carboxyaldehyde|CS-W019424

Structure of 17380-18-6

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General Information

  • CAS No. 17380-18-6
  • Cat. No. CS-W019424
  • Purity ≥98%
  • MDL No. MFCD01719101
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₂O
  • Molecular Weight 170.17
  • Synonym(s) 3-formyl-1H-indole-5-carbonitrile
  • SMILES C1=C(C=CC2=C1C(=C[NH]2)C=O)C#N

Synthesis

  • Route1

    References

    • Pfizer Inc. Patent: US6180627 B2, 2001 ; US 6180627 B1
  • Route2
    • In-stock
      5-Cyanoindole|CS-M1444
      15861-24-2
    • null|null
      68-12-2
    • ~97%
    • In-stock
      5-Cyanoindole-3-carboxyaldehyde|CS-W019424
      17380-18-6

    References

    • Gregory, Alex W.; Jakubec, Pavol; Turner, Paul; Dixon, Darren J. Organic Letters, 2013 , vol. 15, # 17 p. 4330 - 4333
  • Route3
    • In-stock
      5-(Trifluoromethyl)indole|CS-W008231
      100846-24-0
    • ~%
    • null|null
      468717-17-1
    • In-stock
      5-Cyanoindole-3-carboxyaldehyde|CS-W019424
      17380-18-6

    References

    • US2003/73849 A1, ; US 20030073849 A1

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+H312+H332-H315-H317-H319-H335
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.65
  • LogP   1.85208
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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