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CS-W001157 4
Total: USD 88.00

3-(4-Nitrophenoxy)benzonitrile

  • CAS No. 17076-74-3

  • Cat. No. CS-0359559
  • Purity≥97%
  • MDL No.None

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

3-(4-Nitrophenoxy)benzonitrile|CS-0359559

Structure of 17076-74-3

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General Information

  • CAS No. 17076-74-3
  • Cat. No. CS-0359559
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈N₂O₃
  • Molecular Weight 240.21
  • Synonym(s) Benzonitrile,3-(4-nitrophenoxy)
  • SMILES C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])C#N

Synthesis

  • Route1

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2005/102997 A1, 2005 ; Location in patent: Page/Page column 62-63 ; WO 2005/102997 A1
  • Route2
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      76506-19-9
    • ~%
    • 3-(4-Nitrophenoxy)benzonitrile|CS-0359559
      17076-74-3

    References

    • Steller,K.E.; Letsinger,R.L. Journal of Organic Chemistry, 1970 , vol. 35, p. 308 - 313
  • Route3
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      586-78-7
    • ~%
    • 3-(4-Nitrophenoxy)benzonitrile|CS-0359559
      17076-74-3

    References

    • Steller,K.E.; Letsinger,R.L. Journal of Organic Chemistry, 1970 , vol. 35, p. 308 - 313

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

Quality Control

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Computational Chemistry Data

  • TPSA   76.16
  • LogP   3.25878
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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