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3,3-Dimethyl-5-nitroindolin-2-one

  • CAS No. 100511-00-0

  • Cat. No. CS-0036634
  • Purity≥97%
  • MDL No.None

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

3,3-Dimethyl-5-nitroindolin-2-one|CS-0036634

Structure of 100511-00-0

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General Information

  • CAS No. 100511-00-0
  • Cat. No. CS-0036634
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₃
  • Molecular Weight 206.20
  • Synonym(s) None
  • SMILES CC1(C)C2=C(C=CC(=C2)[N+](=O)[O-])N=C1O

Synthesis

  • Route1

    References

    • Rawson, Thomas E.; Rueth, Matthias; Blackwood, Elizabeth; Burdick, Dan; Corson, Laura; Dotson, Jenna; Drummond, Jason; Fields, Carter; Georges, Guy J.; Goller, Bernhard; Halladay, Jason; Hunsaker, Thomas; Kleinheinz, Tracy; Krell, Hans-Willi; Li, Jun; Liang, Jun; Limberg, Anja; McNutt, Angela; Moffat, John; Phillips, Gail; Ran, Yingqing; Safina, Brian; Ultsch, Mark; Walker, Leslie; Wiesmann, Christian; Zhang, Birong; Zhou, Aihe; Zhu, Bing-Yan; Rueger, Petra; Cochran, Andrea G. Journal of Medicinal Chemistry, 2008 , vol. 51, # 15 p. 4465 - 4475
  • Route2
    • null|null
      3078-04-4
    • ~%
    • 3,3-Dimethyl-5-nitroindolin-2-one|CS-0036634
      100511-00-0

    References

    • Brunner et al. Monatshefte fuer Chemie, 1931 , vol. 58, p. 369,395

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   75.73
  • LogP   2.474
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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