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CS-W001157 4
Total: USD 88.00

1-Benzylpyrazole-4-carbonitrile

  • CAS No. 121358-86-9

  • Cat. No. CS-0037853
  • Purity≥98%
  • MDL No.None

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

1-Benzylpyrazole-4-carbonitrile|CS-0037853

Structure of 121358-86-9

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General Information

  • CAS No. 121358-86-9
  • Cat. No. CS-0037853
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉N₃
  • Molecular Weight 183.21
  • Synonym(s) 1-Benzyl-1H-pyrazole-4-carbonitrile
  • SMILES C1=CC=C(C=C1)CN2C=C(C#N)C=N2

Synthesis

  • Route1
    • In-stock
      1-Benzyl-4-bromo-1H-pyrazole|CS-W021297
      50877-41-3
    • null|null
      143-33-9
    • ~80%
    • In-stock
      1-Benzylpyrazole-4-carbonitrile|CS-0037853
      121358-86-9

    References

    • Zanon, Jacopo; Klapars, Artis; Buchwald, Stephen L. Journal of the American Chemical Society, 2003 , vol. 125, # 10 p. 2890 - 2891
  • Route2
    • 5-Amino-1-benzyl-1h-pyrazole-4-carbonitrile|CS-0245738
      91091-13-3
    • ~1%
    • In-stock
      1-Benzylpyrazole-4-carbonitrile|CS-0037853
      121358-86-9
    • null|null
      1050619-85-6
    • null|null
      1050619-79-8
    • null|null
      1050619-74-3

    References

    • Tetrahedron Letters, , vol. 52, # 14 p. 1561 - 1565
  • Route3
    • null|null
      100-44-7
    • ~%
    • In-stock
      1-Benzylpyrazole-4-carbonitrile|CS-0037853
      121358-86-9

    References

    • Journal of the American Chemical Society, , vol. 125, # 10 p. 2890 - 2891

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

Quality Control

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   1.80308
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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