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CS-W001157 4
Total: USD 88.00

6-Nitroindoline-2-carboxylic acid

  • CAS No. 428861-42-1

  • Cat. No. CS-0511045
  • Purity≥98%
  • MDL No.None

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

6-Nitroindoline-2-carboxylic acid|CS-0511045

Structure of 428861-42-1

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General Information

  • CAS No. 428861-42-1
  • Cat. No. CS-0511045
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₄
  • Molecular Weight 208.17
  • Synonym(s) 6-nitro-2,3-dihydro-1H-indole-2-carboxylic acid
  • SMILES O=C(C1NC2=C(C=CC([N+]([O-])=O)=C2)C1)O

Synthesis

  • Route1
    • null|null
      16851-56-2
    • ~%
    • 6-Nitroindoline-2-carboxylic acid|CS-0511045
      428861-42-1

    References

    • Sakuraba, Shunji; Kameda, Minoru; Kishino, Hiroyuki; Haga, Yuji; Otake, Norikazu; Moriya, Minoru Patent: US2009/264426 A1, 2009 ; Location in patent: Page/Page column 46 ;
  • Route2
    • null|null
      16851-56-2
    • ~70%
    • 6-Nitroindoline-2-carboxylic acid|CS-0511045
      428861-42-1
    • null|null
      428861-44-3

    References

    • Lavrenov, Sergei N.; Lakatosh, Sergei A.; Lysenkova, Ludmila N.; Korolev, Alexander M.; Preobrazhenskaya, Maria N. Synthesis, 2002 , # 3 p. 320 - 322

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   92.47
  • LogP   1.016
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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