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Methyl 3-(3-nitrophenyl)benzoate

  • CAS No. 149506-24-1

  • Cat. No. CS-0210821
  • Molecule weight257.24
  • Purity≥97%
  • MDL No.MFCD06803017

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

Methyl 3-(3-nitrophenyl)benzoate|CS-0210821

Structure of 149506-24-1

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General Information

  • CAS No. 149506-24-1
  • Cat. No. CS-0210821
  • Purity ≥97%
  • MDL No. MFCD06803017
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁NO₄
  • Molecular Weight 257.24
  • Synonym(s) METHYL 3'-NITRO[1,1'-BIPHENYL]-3-CARBOXYLATE
  • SMILES COC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Uehling, David E.; Shearer, Barry G.; Donaldson, Kelly H.; Chao, Esther Y.; Deaton, David N.; Adkison, Kim K.; Brown, Kathleen K.; Cariello, Neal F.; Faison, Walter L.; Lancaster, Mary E.; Lin, Jasmine; Hart, Robert; Milliken, Tula O.; Paulik, Mark A.; Sherman, Bryan W.; Sugg, Elizabeth E.; Cowan, Conrad Journal of Medicinal Chemistry, 2006 , vol. 49, # 9 p. 2758 - 2771

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   3.0484
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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