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CS-W001157 4
Total: USD 88.00

2-Ethyl-2-phenylbutanenitrile

  • CAS No. 5336-57-2

  • Cat. No. CS-0179754
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD00085560

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

2-Ethyl-2-phenylbutanenitrile|CS-0179754

Structure of 5336-57-2

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General Information

  • CAS No. 5336-57-2
  • Cat. No. CS-0179754
  • Purity ≥97%
  • MDL No. MFCD00085560
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N
  • Molecular Weight None
  • Synonym(s) 2-Ethyl-2-phenylbutyronitrile
  • SMILES N#CC(CC)(CC)C1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      13312-96-4
    • ~%
    • In-stock
      2-Ethyl-2-phenylbutanenitrile|CS-0179754
      5336-57-2

    References

    • Advanced Synthesis and Catalysis, , vol. 349, # 11-12 p. 2054 - 2060
  • Route2
    • null|null
      74-96-4
    • null|null
      140-29-4
    • ~44%
    • In-stock
      2-Ethyl-2-phenylbutanenitrile|CS-0179754
      5336-57-2

    References

    • Chemische Berichte, , vol. 114, # 12 p. 3831 - 3854
  • Route3
    • null|null
      74-96-4
    • null|null
      140-29-4
    • ~0%
    • In-stock
      2-Ethyl-2-phenylbutanenitrile|CS-0179754
      5336-57-2
    • 2-Phenylbutanenitrile|CS-W010997
      769-68-6

    References

    • Chemistry Letters, , p. 1421 - 1424

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.26798
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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