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CS-W001157 4
Total: USD 88.00

1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid

  • CAS No. 4598-86-1

  • Cat. No. CS-0052439
  • Purity≥98%
  • MDL No.None

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

1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid|CS-0052439

Structure of 4598-86-1

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General Information

  • CAS No. 4598-86-1
  • Cat. No. CS-0052439
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃O₄
  • Molecular Weight 171.11
  • Synonym(s) Albb-004724
  • SMILES CN1C=C(C(=N1)C(O)=O)[N+]([O-])=O

Synthesis

  • Route1

    References

    • Regiec, Andrzej; Mastalarz, Henryk; Mastalarz, Agnieszka; Kochel, Andrzej Tetrahedron Letters, 2009 , vol. 50, # 22 p. 2624 - 2627
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    References

    • Perevalov, V. P.; Andreeva, M. A.; Baryshnenkova, L. I.; Manaev, Yu. A.; Yamburg, G. S.; et al. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983 , vol. 19, # 12 p. 1326 - 1330 Khimiya Geterotsiklicheskikh Soedinenii, 1983 , vol. 19, # 12 p. 1676 - 1679
  • Route3

    References

    • Tret'yakov; Vasilevsky Russian Chemical Bulletin, 1996 , vol. 45, # 11 p. 2581 - 2584

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-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   98.26
  • LogP   0.0265
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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