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CS-W001157 4
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2-Methyl-2-(m-tolyl)propanenitrile

  • CAS No. 30568-27-5

  • Cat. No. CS-0517302
  • Purity≥98%
  • MDL No.None

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

2-Methyl-2-(m-tolyl)propanenitrile|CS-0517302

Structure of 30568-27-5

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General Information

  • CAS No. 30568-27-5
  • Cat. No. CS-0517302
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N
  • Molecular Weight 159.23
  • Synonym(s) 2-Methyl-2-(3-methylphenyl)propanenitrile
  • SMILES CC(C1=CC=CC(C)=C1)(C)C#N

Synthesis

  • Route1
    • null|null
      78-82-0
    • null|null
      352-70-5
    • ~71%
    • 2-Methyl-2-(m-tolyl)propanenitrile|CS-0517302
      30568-27-5

    References

    • Caron, Stephane; Vazquez, Enrique; Wojcik, Jill M. Journal of the American Chemical Society, 2000 , vol. 122, # 4 p. 712 - 713
  • Route2

    References

    • SCRIPPS RESEARCH INSTITUTE, THE Patent: US2012/309769 A1, 2012 ; Location in patent: Page/Page column 112 ; US 20120309769 A1
  • Route3

    References

    • Brown,H.C.; Kim,C.J. Journal of the American Chemical Society, 1968 , vol. 90, p. 2082 - 2096

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.7962
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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