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CS-W001157 4
Total: USD 88.00

2-(Tert-butoxy)benzonitrile

  • CAS No. 218797-78-5

  • Cat. No. CS-0582426
  • Molecule weight175.23
  • Purity≥98%
  • MDL No.None

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

2-(Tert-butoxy)benzonitrile|CS-0582426

Structure of 218797-78-5

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General Information

  • CAS No. 218797-78-5
  • Cat. No. CS-0582426
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO
  • Molecular Weight 175.23
  • Synonym(s) UKRORGSYN-BB BBV-246151
  • SMILES CC(C)(C)OC1=CC=CC=C1C#N

Synthesis

  • Route1
    • null|null
      394-47-8
    • null|null
      75-65-0
    • ~95%
    • 2-(Tert-butoxy)benzonitrile|CS-0582426
      218797-78-5

    References

    • Woiwode, Thomas F.; Rose, Christoph; Wandless, Thomas J. Journal of Organic Chemistry, 1998 , vol. 63, # 25 p. 9594 - 9596
  • Route2

    References

    • Woiwode, Thomas F.; Rose, Christoph; Wandless, Thomas J. Journal of Organic Chemistry, 1998 , vol. 63, # 25 p. 9594 - 9596

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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   33.02
  • LogP   2.73558
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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