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CS-W001157 4
Total: USD 88.00

2-Methyl-2-(pyridin-4-yl)propanenitrile

  • CAS No. 79757-31-6

  • Cat. No. CS-0455876
  • Purity≥98%
  • MDL No.None

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

2-Methyl-2-(pyridin-4-yl)propanenitrile|CS-0455876

Structure of 79757-31-6

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General Information

  • CAS No. 79757-31-6
  • Cat. No. CS-0455876
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂
  • Molecular Weight 146.19
  • Synonym(s) 2-METHYL-2-(4-PYRIDYL)PROPIONITRILE
  • SMILES CC(C)(C#N)C1=CC=NC=C1

Synthesis

  • Route1
    • null|null
      694-59-7
    • null|null
      78-67-1
    • ~3%
    • 2-Methyl-2-(pyridin-4-yl)propanenitrile|CS-0455876
      79757-31-6
    • 2-Methyl-2-(pyridin-2-yl)propanenitrile|CS-0729030
      81039-18-1

    References

    • Endo; Saeki; Hamana Chemical and Pharmaceutical Bulletin, 1981 , vol. 29, # 11 p. 3105 - 3111
  • Route2
    • null|null
      78-82-0
    • Tritylpyridinium Tetrafluoroborate|CS-0765150
      26156-84-3
    • ~%
    • 2-Methyl-2-(pyridin-4-yl)propanenitrile|CS-0455876
      79757-31-6

    References

    • Sammes, Michael P.; Lee, Cheuk Man; Katritzky, Alan R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 2476 - 2482

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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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   36.68
  • LogP   1.88278
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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