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CS-W001157 4
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Ethyl 4-ethoxy-3-nitrobenzoate

  • CAS No. 937625-32-6

  • Cat. No. CS-0462113
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-ethoxy-3-nitrobenzoate|CS-0462113

Structure of 937625-32-6

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General Information

  • CAS No. 937625-32-6
  • Cat. No. CS-0462113
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₅
  • Molecular Weight 239.22
  • Synonym(s) 4-ethoxy-3-nitro-benzoic acid ethyl ester
  • SMILES CCOC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • AKAAL PHARMA PTY LTD; GROBELNY, Damian W; GILL, Gurmit S Patent: WO2014/63199 A1, 2014 ; Location in patent: Page/Page column 54 ;
  • Route2

    References

    • JACKSON, Paul Francis; Tounge, Brett Andrew; Leonard, Kristi Anne; Zhang, Yan; Wang, Aihua; Hawkins, Michael; Maharoof, Umar S.M.; Barbay, Joseph Kent Patent: US2012/129842 A1, 2012 ; Location in patent: Page/Page column 56 ;
  • Route3

    References

    • ZHANG, Yan; Tounge, Brett Andrew; Wang, Aihua; Hawkins, Michael; Leonard, Kristi Anne; Barbay, Joseph Kent; Maharoof, Umar S.M. Patent: US2012/129843 A1, 2012 ; Location in patent: Page/Page column 43 ;

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   2.1702
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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