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CS-W001157 4
Total: USD 88.00

1-Benzyl-1H-indole-5-carbonitrile

  • CAS No. 80531-13-1

  • Cat. No. CS-0317156
  • Purity≥97%
  • MDL No.None

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

1-Benzyl-1H-indole-5-carbonitrile|CS-0317156

Structure of 80531-13-1

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General Information

  • CAS No. 80531-13-1
  • Cat. No. CS-0317156
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₂N₂
  • Molecular Weight 232.28
  • Synonym(s) 1-benzyl-2-cyanoindole
  • SMILES C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)C#N

Synthesis

  • Route1
    • null|null
      1429616-70-5
    • ~63%
    • In-stock
      1-Benzyl-1H-indole-5-carbonitrile|CS-0317156
      80531-13-1

    References

    • Sun, Nan; Hong, Lingfen; Huang, Fang; Ren, Hong; Mo, Weimin; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan Tetrahedron, 2013 , vol. 69, # 19 p. 3927 - 3933
  • Route2
    • In-stock
      5-Cyanoindole|CS-M1444
      15861-24-2
    • null|null
      100-44-7
    • ~%
    • In-stock
      1-Benzyl-1H-indole-5-carbonitrile|CS-0317156
      80531-13-1

    References

    • NOVO NORDISK A/S Patent: WO2004/80480 A1, 2004 ; Location in patent: Page/Page column 322-323 ;
  • Route3
    • null|null
      100-44-7
    • ~%
    • In-stock
      1-Benzyl-1H-indole-5-carbonitrile|CS-0317156
      80531-13-1

    References

    • NOVO NORDISK A/S Patent: WO2006/82245 A1, 2006 ; Location in patent: Page/Page column 324-325 ;

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.72
  • LogP   3.56128
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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