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CS-W001157 4
Total: USD 88.00

Dimethyl 2-(4-(methylsulfonyl)-2-nitrophenyl)malonate

  • CAS No. 917562-22-2

  • Cat. No. CS-0211929
  • Purity≥98%
  • MDL No.MFCD09027268

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

Dimethyl 2-(4-(methylsulfonyl)-2-nitrophenyl)malonate|CS-0211929

Structure of 917562-22-2

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General Information

  • CAS No. 917562-22-2
  • Cat. No. CS-0211929
  • Purity ≥98%
  • MDL No. MFCD09027268
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₈S
  • Molecular Weight 331.30
  • Synonym(s) dimethyl 2-(4-methylsulfonyl-2-nitrophenyl)propanedioate
  • SMILES COC(=O)C(C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C(=O)OC

Synthesis

  • Route1

    References

    • Bristol-Myers Squibb Company Patent: US2008/9465 A1, 2008 ; Location in patent: Page/Page column 91 ; US 20080009465 A1

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   129.88
  • LogP   0.4279
  • H_Acceptors   8
  • H_Donors   0
  • Rotatable_Bonds   5

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