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CS-W001157 4
Total: USD 88.00

4-Bromo-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid

  • CAS No. 84547-91-1

  • Cat. No. CS-0558406
  • Purity≥98%
  • MDL No.None

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

4-Bromo-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid|CS-0558406

Structure of 84547-91-1

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General Information

  • CAS No. 84547-91-1
  • Cat. No. CS-0558406
  • 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-1-methyl-5-nitropyrazole-3-carboxylic acid
  • SMILES O=C(C1=NN(C)C([N+]([O-])=O)=C1Br)O

Synthesis

  • Route1

    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
  • 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
  • Route3

    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

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

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