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CS-W001157 4
Total: USD 88.00

4-Nitro-1h-indole-2-carboxylic acid

  • CAS No. 16732-60-8

  • Cat. No. CS-0216118
  • Purity95+%
  • MDL No.None

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

4-Nitro-1h-indole-2-carboxylic acid|CS-0216118

Structure of 16732-60-8

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General Information

  • CAS No. 16732-60-8
  • Cat. No. CS-0216118
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₄
  • Molecular Weight 206.15
  • Synonym(s) 4-Nitro-1H-indole-2- carboxylic acid
  • SMILES C1=CC2=C(C=C(C(=O)O)N2)C(=C1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Hadida Ruah, Sara S.; Grootenhuis, Peter D.J.; Van Goor, Frederick; Zhou, Jinglan; Bear, Brian; Miller, Mark T.; McCartney, Jason; Numa, Mehdi Michel Jamel Patent: US2007/244159 A1, 2007 ; Location in patent: Page/Page column 139 ;
  • Route2

    References

    • Vertex Pharmaceuticals Incorporated Patent: US2012/309758 A1, 2012 ; Location in patent: Page/Page column 68 ; US 20120309758 A1
  • Route3
    • Ethyl 4-nitro-1H-indole-2-carboxylate|CS-0453049
      4993-93-5
    • ~%
    • 4-Nitro-1h-indole-2-carboxylic acid|CS-0216118
      16732-60-8

    References

    • Parmerter et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 4621

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   96.23
  • LogP   1.7743
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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