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CS-W001157 4
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4-Bromo-1-methyl-3-nitro-1h-pyrazole-5-carboxylic acid

  • CAS No. 84547-89-7

  • Cat. No. CS-0264261
  • Molecule weight250.01
  • Purity≥98%
  • MDL No.None

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

4-Bromo-1-methyl-3-nitro-1h-pyrazole-5-carboxylic acid|CS-0264261

Structure of 84547-89-7

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General Information

  • CAS No. 84547-89-7
  • Cat. No. CS-0264261
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄BrN₃O₄
  • Molecular Weight 250.01
  • Synonym(s) 4-Bromo-2-methyl-5-nitro-2H-pyrazole-3-carboxylic acid
  • SMILES CN1C(=C(C(=N1)[N+](=O)[O-])Br)C(=O)O

Synthesis

  • Route1

    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
  • Route2

    References

    • Manaev, Yu. A.; Andreeva, M. A.; Perevalov, V. P.; Stepanov, B. I.; Dubrovskaya, V. A.; Seraya, V. I. J. Gen. Chem. USSR (Engl. Transl.), 1982 , vol. 52, # 11 p. 2592 - 2598,2291 - 2296

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   98.26
  • LogP   0.789
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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