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3,3-Dimethyl-5-nitro-2,3-dihydro-1H-indole

  • CAS No. 848047-43-8

  • Cat. No. CS-0051619
  • Molecule weight192.21
  • Purity≥98%
  • MDL No.None

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

3,3-Dimethyl-5-nitro-2,3-dihydro-1H-indole|CS-0051619

Structure of 848047-43-8

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General Information

  • CAS No. 848047-43-8
  • Cat. No. CS-0051619
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O₂
  • Molecular Weight 192.21
  • Synonym(s) 3,3-Dimethyl-5-nitroindoline
  • SMILES CC1(C)CNC2=CC=C(C=C12)[N+]([O-])=O

Synthesis

  • Route1
    • null|null
      116584-61-3
    • ~%
    • 3,3-Dimethyl-5-nitro-2,3-dihydro-1H-indole|CS-0051619
      848047-43-8

    References

    • NEUROGEN CORPORATION Patent: WO2005/23807 A2, 2005 ; Location in patent: Page/Page column 66 ; WO 2005/023807 A2
  • Route2
    • 3,3-Dimethyl-5-nitroindolin-2-one|CS-0036634
      100511-00-0
    • ~%
    • 3,3-Dimethyl-5-nitro-2,3-dihydro-1H-indole|CS-0051619
      848047-43-8

    References

    • Rawson, Thomas E.; Safina, Brian; Dotson, Jennafer; Zhou, Aihe; Aliagas-Martin, Ignacio; Halladay, Jason; Liang, Jun; Rueth, Matthias; Zhu, Bing-Yan Patent: US2007/37791 A1, 2007 ; Location in patent: Page/Page column 117 ; US 20070037791 A1

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.17
  • LogP   2.2979
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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