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CS-W001157 4
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1,2-Dimethyl-1H-indole-3-carbonitrile

  • CAS No. 51072-84-5

  • Cat. No. CS-0212557
  • Purity≥98%
  • MDL No.MFCD00460785

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

1,2-Dimethyl-1H-indole-3-carbonitrile|CS-0212557

Structure of 51072-84-5

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General Information

  • CAS No. 51072-84-5
  • Cat. No. CS-0212557
  • Purity ≥98%
  • MDL No. MFCD00460785
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂
  • Molecular Weight 170.21
  • Synonym(s) 3-CYANO-1,2-DIMETHYLINDOLE
  • SMILES CC1=C(C#N)C2=CC=CC=C2N1C

Synthesis

  • Route1
    • 2-Methyl-1H-indole-3-carbonitrile|CS-0148702
      51072-83-4
    • null|null
      74-88-4
    • ~90%
    • 1,2-Dimethyl-1H-indole-3-carbonitrile|CS-0212557
      51072-84-5

    References

    • Zhang, Line; Ang, Gim Yean; Chiba, Shunsuke Organic Letters, 2011 , vol. 13, # 7 p. 1622 - 1625
  • Route2

    References

    • Yang, Yang; Zhang, Yan; Wang, Jianbo Organic Letters, 2011 , vol. 13, # 20 p. 5608 - 5611
  • Route3

    References

    • Jaisankar, Pichamuthu; Srinivasan Synthesis, 2006 , # 14 p. 2413 - 2417

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.72
  • LogP   2.3584
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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