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CS-W001157 4
Total: USD 88.00

2-Methyl-2-(3-nitrophenyl)propanenitrile

  • CAS No. 915394-28-4

  • Cat. No. CS-0186663
  • Purity≥98%
  • MDL No.None

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

2-Methyl-2-(3-nitrophenyl)propanenitrile|CS-0186663

Structure of 915394-28-4

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General Information

  • CAS No. 915394-28-4
  • Cat. No. CS-0186663
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₂
  • Molecular Weight 190.20
  • Synonym(s) None
  • SMILES CC(C)(C#N)C1=CC(=CC=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • In-stock
      2-(3-Nitrophenyl)acetonitrile|CS-W004829
      621-50-1
    • null|null
      74-88-4
    • ~41%
    • In-stock
      2-Methyl-2-(3-nitrophenyl)propanenitrile|CS-0186663
      915394-28-4

    References

    • F2G LTD Patent: WO2006/123145 A1, 2006 ; Location in patent: Page/Page column 49 ;
  • Route2

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: US2009/137595 A1, 2009 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.39598
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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