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CS-W001157 4
Total: USD 88.00

3-(2-Methyl-1H-indol-3-yl)-3-oxopropanenitrile

  • CAS No. 76397-72-3

  • Cat. No. CS-0218588
  • Molecule weight198.22
  • Purity95+%
  • MDL No.None

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

3-(2-Methyl-1H-indol-3-yl)-3-oxopropanenitrile|CS-0218588

Structure of 76397-72-3

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General Information

  • CAS No. 76397-72-3
  • Cat. No. CS-0218588
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀N₂O
  • Molecular Weight 198.22
  • Synonym(s) 3-(CYANOACETYL)-2-METHYLINDOLE
  • SMILES CC1=C(C2=CC=CC=C2N1)C(=O)CC#N

Synthesis

  • Route1

    References

    • Slaett, Johnny; Romero, Ivan; Bergman, Jan Synthesis, 2004 , # 16 p. 2760 - 2765
  • Route2

    References

    • Kreher, Richard; Wagner, Paul-Heinz Chemische Berichte, 1980 , vol. 113, # 11 p. 3675 - 3677
  • Route3
    • 2-Chloro-1-(2-methyl-1H-indol-3-yl)ethan-1-one|CS-0072430
      38693-08-2
    • null|null
      151-50-8
    • ~%
    • 3-(2-Methyl-1H-indol-3-yl)-3-oxopropanenitrile|CS-0218588
      76397-72-3

    References

    • Chemische Berichte, , vol. 56, p. 2317 Gazzetta Chimica Italiana, , vol. 59, p. 113

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   56.65
  • LogP   2.5727
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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