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CS-W001157 4
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Methyl 5-(2-methoxy-2-oxoethyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate

  • CAS No. 91306-60-4

  • Cat. No. CS-0562806
  • Molecule weight320.26
  • Purity≥98%
  • MDL No.None

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

Methyl 5-(2-methoxy-2-oxoethyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate|CS-0562806

Structure of 91306-60-4

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General Information

  • CAS No. 91306-60-4
  • Cat. No. CS-0562806
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂N₄O₆
  • Molecular Weight 320.26
  • Synonym(s) methyl 4-methoxycarbonyl-1-p-nitrophenyl-1,2,3-triazol-5-ylacetate
  • SMILES COC(=O)CC1=C(N=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Synthesis

  • Route1

    References

    • L'abbe, Gerrit; Dehaen, Wim Bulletin des Societes Chimiques Belges, 1987 , vol. 96, # 10 p. 823 - 824

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   126.45
  • LogP   0.6776
  • H_Acceptors   9
  • H_Donors   0
  • Rotatable_Bonds   5

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