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CS-W001157 4
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(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl (4-nitrophenyl) carbonate

  • CAS No. 173604-87-0

  • Cat. No. CS-0512445
  • Purity≥98%
  • MDL No.MFCD04035556

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

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl (4-nitrophenyl) carbonate|CS-0512445

Structure of 173604-87-0

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General Information

  • CAS No. 173604-87-0
  • Cat. No. CS-0512445
  • Purity ≥98%
  • MDL No. MFCD04035556
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉NO₈
  • Molecular Weight 295.20
  • Synonym(s) (5-Methyl-2-oxo-1,3-dioxol-4-YL)methyl 4-nitrophenyl carbonate
  • SMILES O=C(OCC1=C(C)OC(O1)=O)OC2=CC=C([N+]([O-])=O)C=C2

Synthesis

  • Route1

    References

    • Alexander, Jose; Bindra, Dilbir S.; Glass, Joan D.; Holahan, Marie A.; Renyer, Mara L.; Rork, Gerald S.; Sitko, Gary R.; Stranieri, Maria T.; Stupienski, Raymond F.; Veerapanane, Hemalata; Cook, Jacquelynn J. Journal of Medicinal Chemistry, 1996 , vol. 39, # 2 p. 480 - 486

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   122.02
  • LogP   2.16502
  • H_Acceptors   8
  • H_Donors   0
  • Rotatable_Bonds   4

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