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CS-W001157 4
Total: USD 88.00

3-(4-Nitrophenyl)isoxazole

  • CAS No. 4264-05-5

  • Cat. No. CS-0452467
  • Molecule weight190.16
  • Purity≥98%
  • MDL No.None

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

3-(4-Nitrophenyl)isoxazole|CS-0452467

Structure of 4264-05-5

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General Information

  • CAS No. 4264-05-5
  • Cat. No. CS-0452467
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₃
  • Molecular Weight 190.16
  • Synonym(s) None
  • SMILES C1=C(C=CC(=C1)[N+](=O)[O-])C2=NOC=C2

Synthesis

  • Route1

    References

    • Tang, Shibing; He, Jinmei; Sun, Yongquan; He, Liuer; She, Xuegong Organic Letters, 2009 , vol. 11, # 17 p. 3982 - 3985
  • Route2
    • null|null
      112853-64-2
    • ~94%
    • In-stock
      3-(4-Nitrophenyl)isoxazole|CS-0452467
      4264-05-5

    References

    • Di Nunno, L.; Scilimati, A. Tetrahedron, 1987 , vol. 43, # 9 p. 2181 - 2190
  • Route3
    • null|null
      121-46-0
    • 4-Nitrobenzaldoxime|CS-0207291
      1129-37-9
    • ~%
    • In-stock
      3-(4-Nitrophenyl)isoxazole|CS-0452467
      4264-05-5

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2004/83205 A1, 2004 ; Location in patent: Page 51 ; WO 2004/083205 A1

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   69.17
  • LogP   2.2498
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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