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Methyl 5-nitro-2-(phenylthio)benzoate

  • CAS No. 361336-72-3

  • Cat. No. CS-0367146
  • Molecule weight289.31
  • Purity95+%
  • MDL No.None

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

Methyl 5-nitro-2-(phenylthio)benzoate|CS-0367146

Structure of 361336-72-3

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General Information

  • CAS No. 361336-72-3
  • Cat. No. CS-0367146
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁NO₄S
  • Molecular Weight 289.31
  • Synonym(s) None
  • SMILES COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Parlow, John J.; Stevens, Anna M.; Stegeman, Roderick A.; Stallings, William C.; Kurumbail, Ravi G.; South, Michael S. Journal of Medicinal Chemistry, 2003 , vol. 46, # 20 p. 4297 - 4312
  • Route2
    • 5-Nitro-2-(phenylthio)benzoic acid|CS-0668953
      6345-67-1
    • ~%
    • Methyl 5-nitro-2-(phenylthio)benzoate|CS-0367146
      361336-72-3

    References

    • Parlow, John J.; Stevens, Anna M.; Stegeman, Roderick A.; Stallings, William C.; Kurumbail, Ravi G.; South, Michael S. Journal of Medicinal Chemistry, 2003 , vol. 46, # 20 p. 4297 - 4312
  • Route3
    • null|null
      108-98-5
    • ~%
    • Methyl 5-nitro-2-(phenylthio)benzoate|CS-0367146
      361336-72-3

    References

    • Parlow, John J.; Stevens, Anna M.; Stegeman, Roderick A.; Stallings, William C.; Kurumbail, Ravi G.; South, Michael S. Journal of Medicinal Chemistry, 2003 , vol. 46, # 20 p. 4297 - 4312

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   3.5326
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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