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CS-W001157 4
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Methyl 5-nitro-1-naphthoate

  • CAS No. 59866-98-7

  • Cat. No. CS-0322831
  • Molecule weight231.20
  • Purity≥97%
  • MDL No.None

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

Methyl 5-nitro-1-naphthoate|CS-0322831

Structure of 59866-98-7

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General Information

  • CAS No. 59866-98-7
  • Cat. No. CS-0322831
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉NO₄
  • Molecular Weight 231.20
  • Synonym(s) Methyl 5-nitronaphthalene-1-carboxylate
  • SMILES COC(=O)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

Synthesis

  • Route1

    References

    • AstraZeneca AB Patent: WO2005/115986 A1, 2005 ; Location in patent: Page/Page column 202 ; WO 2005/115986 A1
  • Route2

    References

    • Nose; Suzuki Journal of Organic Chemistry, 2001 , vol. 66, # 12 p. 4356 - 4360
  • Route3

    References

    • Koelsch; Hoffman Journal of the American Chemical Society, 1943 , vol. 65, p. 989

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.5346
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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