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CS-W001157 4
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5-Amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile

  • CAS No. 7152-40-1

  • Cat. No. CS-0218962
  • Purity≥97%
  • MDL No.None

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

5-Amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile|CS-0218962

Structure of 7152-40-1

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General Information

  • CAS No. 7152-40-1
  • Cat. No. CS-0218962
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉N₅
  • Molecular Weight 223.23
  • Synonym(s) 5-Amino-4-cyano-3-cyanomethyl-1-phenylpyrazole
  • SMILES C1=CC=C(C=C1)N2C(=C(C#N)C(=N2)CC#N)N

Synthesis

  • Route1
    • In-stock
      2-Aminoprop-1-ene-1,1,3-tricarbonitrile|CS-0158489
      868-54-2
    • null|null
      100-63-0
    • ~41%
    • In-stock
      5-Amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile|CS-0218962
      7152-40-1

    References

    • Smyth, Lynette A.; Matthews, Thomas P.; Horton, Peter N.; Hursthouse, Michael. B.; Collins, Ian Tetrahedron, 2007 , vol. 63, # 39 p. 9627 - 9634
  • Route2
    • null|null
      100-63-0
    • null|null
      109-77-3
    • ~%
    • In-stock
      5-Amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile|CS-0218962
      7152-40-1

    References

    • Journal of the American Chemical Society, , vol. 81, p. 2452,2455 Journal of Organic Chemistry, , vol. 24, p. 963,965 Journal of the American Chemical Society, , vol. 80, p. 2838
  • Route3
    • null|null
      64-17-5
    • null|null
      100-63-0
    • null|null
      109-77-3
    • ~%
    • In-stock
      5-Amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile|CS-0218962
      7152-40-1

    References

    • Journal of the American Chemical Society, , vol. 81, p. 2452,2455 Journal of Organic Chemistry, , vol. 24, p. 963,965

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   91.42
  • LogP   1.39226
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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