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CS-W001157 4
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Methyl 3-nitro-4-sulfanylbenzoate

  • CAS No. 59515-34-3

  • Cat. No. CS-0162996
  • Molecule weight213.21
  • Purity≥95%
  • MDL No.None

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

Methyl 3-nitro-4-sulfanylbenzoate|CS-0162996

Structure of 59515-34-3

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General Information

  • CAS No. 59515-34-3
  • Cat. No. CS-0162996
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₄S
  • Molecular Weight 213.21
  • Synonym(s) METHYL3-NITRO-4-SULFANYLBENZOATE
  • SMILES O=C(OC)C1=CC=C(S)C([N+]([O-])=O)=C1

Synthesis

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    References

    • Park, Chang-Ha; Yous, Said; Nativelle-Serpentini, Celine; Seralini, Gilles-Eric; Chang, Soon-Jae; Lesieur, Daniel Patent: US2007/54899 A1, 2007 ; Location in patent: Page/Page column 9 ; US 20070054899 A1
  • Route2

    References

    • PHARMACIA CORPORATION Patent: WO2004/99131 A2, 2004 ; Location in patent: Page 62 ;
  • Route3
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    • Methyl 3-nitro-4-sulfanylbenzoate|CS-0162996
      59515-34-3

    References

    • Juillerat; Bargetzi Helvetica chimica acta, 1976 , vol. 59, # 3 p. 855 - 866

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H315-H319-H372-H413
Precautionary Statements : P260-P264-P270-P273-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.6701
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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