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CS-W001157 4
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5-Amino-3-bromo-1-(tert-butyl)-1H-pyrazole-4-carbonitrile

  • CAS No. 1390635-65-0

  • Cat. No. CS-0445658
  • Purity≥98%
  • MDL No.None

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

5-Amino-3-bromo-1-(tert-butyl)-1H-pyrazole-4-carbonitrile|CS-0445658

Structure of 1390635-65-0

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General Information

  • CAS No. 1390635-65-0
  • Cat. No. CS-0445658
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁BrN₄
  • Molecular Weight 243.10
  • Synonym(s) 5-amino-3-bromo-1-tert-butylpyrazole-4-carbonitrile
  • SMILES CC(C)(C)N1C(=C(C#N)C(=N1)Br)N

Synthesis

  • Route1
    • 3,5-diamino-1-(tert-butyl)-1H-pyrazole-4-carbonitrile|CS-0463500
      1390635-67-2
    • ~58%
    • 5-Amino-3-bromo-1-(tert-butyl)-1H-pyrazole-4-carbonitrile|CS-0445658
      1390635-65-0

    References

    • Bobko, Mark A.; Kaura, Arun C.; Evans, Karen A.; Su, Dai-Shi Organic Letters, 2012 , vol. 14, # 15 p. 3906 - 3908

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   67.63
  • LogP   1.85448
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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