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CS-W001157 4
Total: USD 88.00

4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile

  • CAS No. 115204-76-7

  • Cat. No. CS-0199281
  • Purity≥95%
  • MDL No.None

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

4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile|CS-0199281

Structure of 115204-76-7

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General Information

  • CAS No. 115204-76-7
  • Cat. No. CS-0199281
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₇Cl₂N₅
  • Molecular Weight 304.13
  • Synonym(s) 4-[(2,6-dichloropurin-9-yl)methyl]benzonitrile
  • SMILES N#CC1=CC=C(CN2C=NC3=C(Cl)N=C(Cl)N=C23)C=C1

Synthesis

  • Route1

    References

    • THE REGENTS OF THE UNIVERSITY OF CALIFORNIA Patent: WO2007/24707 A2, 2007 ; Location in patent: Page/Page column 18; 24 ;

Safety Information

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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   67.39
  • LogP   3.05308
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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