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CS-W001157 4
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3-(4-Ethylphenyl)-3-oxopropanenitrile

  • CAS No. 96220-15-4

  • Cat. No. CS-0313339
  • Purity≥97%
  • MDL No.None

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

3-(4-Ethylphenyl)-3-oxopropanenitrile|CS-0313339

Structure of 96220-15-4

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General Information

  • CAS No. 96220-15-4
  • Cat. No. CS-0313339
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO
  • Molecular Weight 173.21
  • Synonym(s) 3-(4-Aethyl-phenyl)-3-oxo-propionitril
  • SMILES CCC1=CC=C(C=C1)C(=O)CC#N

Synthesis

  • Route1
    • 4-Ethylbenzoylchloride|CS-0695306
      16331-45-6
    • null|null
      372-09-8
    • ~24%
    • In-stock
      3-(4-Ethylphenyl)-3-oxopropanenitrile|CS-0313339
      96220-15-4

    References

    • INPHARMATICA LIMITED Patent: WO2007/36730 A1, 2007 ; Location in patent: Page/Page column 19-20 ; WO 2007/036730 A1
  • Route2

    References

    • Park, Ahbyeol; Lee, Sunwoo Organic Letters, 2012 , vol. 14, # 4 p. 1118 - 1121
  • Route3

    References

    • Pyo, Ayoung; Park, Ahbyeol; Jung, Hyunmin; Lee, Sunwoo Synthesis (Germany), 2012 , vol. 44, # 18 p. 2885 - 2888

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.34538
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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