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CS-W001157 4
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Methyl 2-((4-nitrophenyl)thio)acetate

  • CAS No. 6625-35-0

  • Cat. No. CS-0524846
  • Molecule weight227.24
  • Purity≥98%
  • MDL No.MFCD01830372

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

Methyl 2-((4-nitrophenyl)thio)acetate|CS-0524846

Structure of 6625-35-0

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General Information

  • CAS No. 6625-35-0
  • Cat. No. CS-0524846
  • Purity ≥98%
  • MDL No. MFCD01830372
  • 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 2-[(4-nitrophenyl)sulfanyl]acetate
  • SMILES O=C(OC)CSC1=CC=C([N+]([O-])=O)C=C1

Synthesis

  • Route1

    References

    • Dutov, Mikhail D.; Serushkina, Olga V.; Shevelev, Svyatoslav A.; Lyssenko Mendeleev Communications, 2007 , vol. 17, # 6 p. 347 - 348
  • Route2

    References

    • Zapico, Jose Maria; Serra, Pilar; Garcia-Sanmartin, Josune; Filipiak, Kamila; Carbajo, Rodrigo J.; Schott, Anne K.; Pineda-Lucena, Antonio; Martinez, Alfredo; Martin-Santamaria, Sonsoles; De Pascual-Teresa, Beatriz; Ramos, Ana Organic and Biomolecular Chemistry, 2011 , vol. 9, # 12 p. 4587 - 4599
  • Route3
    • null|null
      2365-48-2
    • null|null
      100-00-5
    • ~%
    • Methyl 2-((4-nitrophenyl)thio)acetate|CS-0524846
      6625-35-0

    References

    • Liu, Zhanxiang; Burgess, Kevin Tetrahedron Letters, 2011 , vol. 52, # 48 p. 6325 - 6327

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.8599
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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