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CS-W001157 4
Total: USD 88.00

4-(3-Nitro-1H-1,2,4-triazol-1-yl)butanoic acid

  • CAS No. 163527-47-7

  • Cat. No. CS-0313063
  • Molecule weight200.15
  • Purity≥97%
  • MDL No.None

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

4-(3-Nitro-1H-1,2,4-triazol-1-yl)butanoic acid|CS-0313063

Structure of 163527-47-7

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General Information

  • CAS No. 163527-47-7
  • Cat. No. CS-0313063
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₄O₄
  • Molecular Weight 200.15
  • Synonym(s) 4-(3-nitro-1,2,4-triazol-1-yl)butanoic acid
  • SMILES C(CC(=O)O)CN1C=NC(=N1)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      163527-46-6
    • ~78%
    • 4-(3-Nitro-1H-1,2,4-triazol-1-yl)butanoic acid|CS-0313063
      163527-47-7

    References

    • Hay, Michael P.; Lee, Ho H.; Wilson, William R.; Roberts, Peter B.; Denny, William A. Journal of Medicinal Chemistry, 1995 , vol. 38, # 11 p. 1928 - 1941

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   111.15
  • LogP   0.0511
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   5

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