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CS-W001157 4
Total: USD 88.00

5-Nitrobenzo[d]isoxazol-3-ol

  • CAS No. 36238-80-9

  • Cat. No. CS-0451693
  • Purity≥98%
  • MDL No.None

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

5-Nitrobenzo[d]isoxazol-3-ol|CS-0451693

Structure of 36238-80-9

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General Information

  • CAS No. 36238-80-9
  • Cat. No. CS-0451693
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₂O₄
  • Molecular Weight 180.12
  • Synonym(s) 5-nitrobenzisoxazol-3-ol
  • SMILES C1=CC2=C(C=C1[N+](=O)[O-])C(=NO2)O

Synthesis

  • Route1

    References

    • Wrubel, Juergen Zeitschrift fuer Chemie (Stuttgart, Germany), 1980 , vol. 20, # 1 p. 18
  • Route2
    • N,2-dihydroxy-5-nitrobenzamide|CS-0062163
      61494-42-6
    • ~32%
    • In-stock
      5-Nitrobenzo[d]isoxazol-3-ol|CS-0451693
      36238-80-9

    References

    • Ferraris, Dana; Duvall, Bridget; Ko, Yao-Sen; Thomas, Ajit G.; Rojas, Camilo; Majer, Pavel; Hashimoto, Kenji; Tsukamoto, Takashi Journal of Medicinal Chemistry, 2008 , vol. 51, # 12 p. 3357 - 3359

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-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   89.4
  • LogP   1.4416
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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