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CS-W001157 4
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Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate

  • CAS No. 5453-86-1

  • Cat. No. CS-0103847
  • Purity95+%
  • MDL No.None

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

Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate|CS-0103847

Structure of 5453-86-1

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General Information

  • CAS No. 5453-86-1
  • Cat. No. CS-0103847
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₅
  • Molecular Weight 222.15
  • Synonym(s) Methyl 6-nitro-1,2-benzoxazole-3-carboxylate
  • SMILES O=C(C1=NOC2=C1C=CC([N+]([O-])=O)=C2)OC

Synthesis

  • Route1
    • null|null
      544-16-1
    • Methyl 2-(2,4-dinitrophenyl)acetate|CS-0130247
      58605-12-2
    • ~%
    • Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate|CS-0103847
      5453-86-1

    References

    • Clinton; Laskowski Journal of the American Chemical Society, 1952 , vol. 74, p. 2226,2235 Full Text Show Details McGhie et al. Journal of the Society of Chemical Industry, London, 1949 , vol. 68, p. 329 Full Text Show Details Sabnis; Shirsat Journal of Scientific and Industrial Research, 1958 , vol. 17 B, p. 451,454
  • Route2
    • Methyl 2-(2,4-dinitrophenyl)acetate|CS-0130247
      58605-12-2
    • ~%
    • Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate|CS-0103847
      5453-86-1

    References

    • Nordmark-Werke Patent: DE800666 , 1950 ; DRP/DRBP Org.Chem.
  • Route3
    • 2,4-Dinitrophenylacetic acid|CS-0204626
      643-43-6
    • ~%
    • Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate|CS-0103847
      5453-86-1

    References

    • Nuhrich; Varache-Lembege; Vercauteren; Dokhan; Renard; Devaux European Journal of Medicinal Chemistry, 1996 , vol. 31, # 12 p. 957 - 964

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   1.5226
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   2

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