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Ethyl 4-methyl-3-nitrobenzoate

  • CAS No. 19013-15-1

  • Cat. No. CS-0312782
  • Molecule weight209.20
  • Purity95+%
  • MDL No.None

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

Ethyl 4-methyl-3-nitrobenzoate|CS-0312782

Structure of 19013-15-1

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General Information

  • CAS No. 19013-15-1
  • Cat. No. CS-0312782
  • Purity 95+%
  • 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, 4-Methyl-3-nitro-, ethyl ester
  • SMILES CCOC(=O)C1=CC(=C(C)C=C1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOYER, Stephen, James; GAO, Donghong, Amy; GUO, Xin; KIRRANE, Thomas, Martin, Jr.; SARKO, Christopher, Ronald; SNOW, Roger, John; SOLEYMANZADEH, Fariba; ZHANG, Yunlong Patent: WO2011/71716 A1, 2011 ; Location in patent: Page/Page column 39-40 ; WO 2011/071716 A1
  • Route2

    References

    • US6087380 A1, ; US 6087380 A
  • Route3

    References

    • Desrousseaux; Bennetau; Morand; Mingotaud; Letard; Montant; Freysz New Journal of Chemistry, 2000 , vol. 24, # 12 p. 977 - 985

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   2.07992
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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