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CS-W001157 4
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1-Nitro-2-naphthoic acid

  • CAS No. 103987-83-3

  • Cat. No. CS-0035684
  • Purity≥97%
  • MDL No.None

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

1-Nitro-2-naphthoic acid|CS-0035684

Structure of 103987-83-3

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General Information

  • CAS No. 103987-83-3
  • Cat. No. CS-0035684
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇NO₄
  • Molecular Weight 217.18
  • Synonym(s) 1-Nitronaphthalene-2-carboxylic acid
  • SMILES C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])C(=O)O

Synthesis

  • Route1
    • (E)-N,N-dimethyl-2-(1-nitronaphthalen-2-yl)ethen-1-amine|CS-0506300
      176853-40-0
    • ~%
    • In-stock
      1-Nitro-2-naphthoic acid|CS-0035684
      103987-83-3

    References

    • MERCK SHARP and DOHME CORP.; KUDUK, Scott, D.; CHANG, Ronald, K.; GRESHOCK, Thomas, J. Patent: WO2012/47702 A1, 2012 ; Location in patent: Page/Page column 33 ; WO 2012/047702 A1
  • Route2

    References

    • MERCK SHARP and DOHME CORP.; KUDUK, Scott, D.; BESHORE, Douglas, C.; DIMARCO, Christina, Ng; GRESHOCK, Thomas, J. Patent: WO2011/84371 A1, 2011 ; Location in patent: Page/Page column 33-35 ; WO 2011/084371 A1
  • Route3
    • null|null
      872287-19-9
    • ~%
    • In-stock
      1-Nitro-2-naphthoic acid|CS-0035684
      103987-83-3

    References

    • Fernholz et al. Justus Liebigs Annalen der Chemie, 1952 , vol. 576, p. 131,133 Full Text Show Details Tarbell; Bill Journal of the American Chemical Society, 1952 , vol. 74, p. 1234,1237

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   2.4462
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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