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CS-W001157 4
Total: USD 88.00

3-(Tert-butoxy)propanenitrile

  • CAS No. 99764-73-5

  • Cat. No. CS-0335789
  • Purity≥97%
  • MDL No.None

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

3-(Tert-butoxy)propanenitrile|CS-0335789

Structure of 99764-73-5

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General Information

  • CAS No. 99764-73-5
  • Cat. No. CS-0335789
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₃NO
  • Molecular Weight 127.18
  • Synonym(s) 3-tert-Butoxypropanenitrile
  • SMILES CC(C)(C)OCCC#N

Synthesis

  • Route1
    • null|null
      107-13-1
    • null|null
      75-65-0
    • ~30%
    • 3-(Tert-butoxy)propanenitrile|CS-0335789
      99764-73-5

    References

    • Litvak, M. M. Pharmaceutical Chemistry Journal, 1989 , vol. 23, # 11 p. 935 - 938 Khimiko-Farmatsevticheskii Zhurnal, 1989 , vol. 23, # 11 p. 1374 - 1377
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 43, # 9 p. 1839 - 1841

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   1.71518
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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