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

  • CAS No. 5334-35-0

  • Cat. No. CS-0187199
  • Molecule weight184.58
  • Purity≥98%
  • MDL No.None

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

6-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one|CS-0187199

Structure of 5334-35-0

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General Information

  • CAS No. 5334-35-0
  • Cat. No. CS-0187199
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅ClN₄O
  • Molecular Weight 184.58
  • Synonym(s) 3-chloro-9-methyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one
  • SMILES O=C1N=C(Cl)NC2=C1C=NN2C

Synthesis

  • Route1

    References

    • F. HOFFMANN-LA ROCHE AG; HOFFMANN-LA ROCHE INC.; FENG, Jianwen; HAYNES, Nancy-Ellen; HERMANN, Johannes Cornelius; KIM, Kyungjin; LIU, Jin-Jun; SCOTT, Nathan Robert; YI, Lin; ZAK, Mark; ZHAO, Guiling Patent: WO2013/182546 A1, 2013 ; Location in patent: Page/Page column 85 ;

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.57
  • LogP   0.31
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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