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CS-W001157 4
Total: USD 88.00

3-(4-Tert-butylphenyl)-3-oxopropanenitrile

  • CAS No. 39528-62-6

  • Cat. No. CS-0307850
  • Purity≥95%
  • MDL No.MFCD00179689

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

3-(4-Tert-butylphenyl)-3-oxopropanenitrile|CS-0307850

Structure of 39528-62-6

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General Information

  • CAS No. 39528-62-6
  • Cat. No. CS-0307850
  • Purity ≥95%
  • MDL No. MFCD00179689
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO
  • Molecular Weight None
  • Synonym(s) 4-tert-Butylbenzoylacetonitrile
  • SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)CC#N

Synthesis

  • Route1

    References

    • Pyo, Ayoung; Park, Ahbyeol; Jung, Hyunmin; Lee, Sunwoo Synthesis (Germany), 2012 , vol. 44, # 18 p. 2885 - 2888
  • Route2
    • In-stock
      Methyl 4-(tert-butyl)benzoate|CS-W015808
      26537-19-9
    • null|null
      75-05-8
    • ~%
    • In-stock
      3-(4-Tert-butylphenyl)-3-oxopropanenitrile|CS-0307850
      39528-62-6

    References

    • Danel, Krzysztof S.; Uchacz, Tomasz; Karelus, Marcin Arkivoc, 2011 , vol. 2011, # 9 p. 272 - 280

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   3.08048
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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