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CS-W001157 4
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Methyl 4-(methylthio)-3-nitrobenzoate

  • CAS No. 51919-71-2

  • Cat. No. CS-0574847
  • Molecule weight227.24
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(methylthio)-3-nitrobenzoate|CS-0574847

Structure of 51919-71-2

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General Information

  • CAS No. 51919-71-2
  • Cat. No. CS-0574847
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄S
  • Molecular Weight 227.24
  • Synonym(s) Methyl 4-(methylsulfanyl)-3-nitrobenzenecarboxylate
  • SMILES COC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • RHONE-POULENC RORER LIMITED Patent: EP741707 B1, 1998 ;
  • Route2

    References

    • Rhone-Poulenc Sante Patent: US5159114 A1, 1992 ;
  • Route3
    • 4-(Methylsulfanyl)-3-nitrobenzoic acid|CS-0221353
      64399-24-2
    • ~%
    • Methyl 4-(methylthio)-3-nitrobenzoate|CS-0574847
      51919-71-2

    References

    • Donleavy; Condit Journal of the American Chemical Society, 1947 , vol. 69, p. 1781,1783

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

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.1033
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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