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CS-W001157 4
Total: USD 88.00

6-Nitro-benzo[d]isoxazole-3-carboxylic acid ethyl ester

  • CAS No. 540750-26-3

  • Cat. No. CS-0340546
  • Molecule weight236.18
  • Purity≥97%
  • MDL No.None

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

6-Nitro-benzo[d]isoxazole-3-carboxylic acid ethyl ester|CS-0340546

Structure of 540750-26-3

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General Information

  • CAS No. 540750-26-3
  • Cat. No. CS-0340546
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₅
  • Molecular Weight 236.18
  • Synonym(s) Ethyl 6-nitrobenzo[d]isoxazole-3-carboxylate
  • SMILES CCOC(=O)C1=NOC2=C1C=CC(=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • Ethyl 2-(2,4-Dinitrophenyl)acetate|CS-0764578
      68084-17-3
    • ~71%
    • 6-Nitro-benzo[d]isoxazole-3-carboxylic acid ethyl ester|CS-0340546
      540750-26-3

    References

    • Schumacher, Richard; Danca, Mihaela Diana; Ma, Jianguo; Herbert, Brian; Nguyen, True Minh; Xie, Wenge; Tehim, Ashok Patent: US2007/78147 A1, 2007 ; Location in patent: Page/Page column 73 ;
  • Route2
    • Methyl 2-(2,4-dinitrophenyl)acetate|CS-0130247
      58605-12-2
    • ~%
    • 6-Nitro-benzo[d]isoxazole-3-carboxylic acid ethyl ester|CS-0340546
      540750-26-3

    References

    • Clinton; Laskowski Journal of the American Chemical Society, 1952 , vol. 74, p. 2226,2235
  • Route3
    • 2,4-Dinitrophenylacetic acid|CS-0204626
      643-43-6
    • ~%
    • 6-Nitro-benzo[d]isoxazole-3-carboxylic acid ethyl ester|CS-0340546
      540750-26-3

    References

    • Borsche Chemische Berichte, 1909 , vol. 42, p. 1317

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   95.47
  • LogP   1.9127
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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