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CS-W001157 4
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4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile

  • CAS No. 56935-79-6

  • Cat. No. CS-0453796
  • Molecule weight197.24
  • Purity≥98%
  • MDL No.None

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

4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile|CS-0453796

Structure of 56935-79-6

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General Information

  • CAS No. 56935-79-6
  • Cat. No. CS-0453796
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁N₃
  • Molecular Weight 197.24
  • Synonym(s) 4-(3,5-DiMethylpyrazol-1-yl)benzonitrile
  • SMILES CC1=NN(C(=C1)C)C2=CC=C(C=C2)C#N

Synthesis

  • Route1
    • null|null
      67-51-6
    • null|null
      1194-02-1
    • ~67%
    • 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile|CS-0453796
      56935-79-6

    References

    • Journal of Medicinal Chemistry, , vol. 35, # 17 p. 3115 - 3129
  • Route2
    • null|null
      1194-02-1
    • null|null
      18290-96-5
    • ~62%
    • 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile|CS-0453796
      56935-79-6

    References

    • US2012/142937 A1, ; Page/Page column 5 ;

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   2.36082
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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