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CS-W001157 4
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6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one

  • CAS No. 42754-97-2

  • Cat. No. CS-0085137
  • Purity98+%
  • MDL No.MFCD18793418

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

6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one|CS-0085137

Structure of 42754-97-2

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General Information

  • CAS No. 42754-97-2
  • Cat. No. CS-0085137
  • Purity 98+%
  • MDL No. MFCD18793418
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃ClN₄O
  • Molecular Weight 170.56
  • Synonym(s) None
  • SMILES ClC1=NC(C(C=NN2)=C2N1)=O

Synthesis

  • Route1

    References

    • Robins Journal of the American Chemical Society, 1957 , vol. 79, p. 6407,6412
  • Route2

    References

    • Robins Journal of the American Chemical Society, 1957 , vol. 79, p. 6407,6412

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   74.43
  • LogP   0.2996
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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