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6-Nitro-1H-indole-3-carbonitrile

  • CAS No. 4769-99-7

  • Cat. No. CS-0468460
  • Purity≥98%
  • MDL No.MFCD15527153

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

6-Nitro-1H-indole-3-carbonitrile|CS-0468460

Structure of 4769-99-7

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General Information

  • CAS No. 4769-99-7
  • Cat. No. CS-0468460
  • Purity ≥98%
  • MDL No. MFCD15527153
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅N₃O₂
  • Molecular Weight 187.15
  • Synonym(s) None
  • SMILES N#CC1=CNC=2C=C(C=CC12)N(=O)=O

Synthesis

  • Route1

    References

    • Vertex Pharmaceuticals Incorporated Patent: US2012/309758 A1, 2012 ; Location in patent: Page/Page column 70 ; US 20120309758 A1
  • Route2

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   82.72
  • LogP   1.94778
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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