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Ethyl 5-nitro-1-naphthoate

  • CAS No. 91901-43-8

  • Cat. No. CS-0361598
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-nitro-1-naphthoate|CS-0361598

Structure of 91901-43-8

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General Information

  • CAS No. 91901-43-8
  • Cat. No. CS-0361598
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₄
  • Molecular Weight 245.23
  • Synonym(s) 1-Naphthalenecarboxylicacid, 5-nitro-, ethyl ester
  • SMILES CCOC(=O)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1362846 A1, 2003 ; Location in patent: Page/Page column 48-49 ; EP 1362846 A1
  • Route2

    References

    • Nakayama; Okutome; Matsui; Kurumi; Sakurai; Aoyama; Fujii Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 10 p. 3968 - 3980

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   69.44
  • LogP   2.9247
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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