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Ethyl 5-methyl-2-nitrobenzoate

  • CAS No. 54064-40-3

  • Cat. No. CS-0361596
  • Molecule weight209.20
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-methyl-2-nitrobenzoate|CS-0361596

Structure of 54064-40-3

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General Information

  • CAS No. 54064-40-3
  • Cat. No. CS-0361596
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₄
  • Molecular Weight 209.20
  • Synonym(s) Benzoic acid, 5-methyl-2-nitro-, ethyl ester
  • SMILES CCOC(=O)C1=C(C=CC(=C1)C)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • RESVERLOGIX CORP.; HANSEN, Henrik, C.; WAGNER, Gregory, S.; ATTWELL, Sarah, C.; MCLURE, Kevin, G.; KULIKOWSKI, Ewelina, B. Patent: WO2010/123975 A1, 2010 ; Location in patent: Page/Page column 80-82 ;

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   69.44
  • LogP   2.07992
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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