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CS-W001157 4
Total: USD 88.00

3-((4-Nitrobenzyl)oxy)-3-oxopropanoic acid

  • CAS No. 77359-11-6

  • Cat. No. CS-W010295
  • Molecule weight239.18
  • Purity≥97%
  • MDL No.MFCD00191556

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

3-((4-Nitrobenzyl)oxy)-3-oxopropanoic acid|CS-W010295

Structure of 77359-11-6

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General Information

  • CAS No. 77359-11-6
  • Cat. No. CS-W010295
  • Purity ≥97%
  • MDL No. MFCD00191556
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₆
  • Molecular Weight 239.18
  • Synonym(s) mono-p-nitrobenzyl malonate
  • SMILES O=C(O)CC(OCC1=CC=C([N+]([O-])=O)C=C1)=O

Synthesis

  • Route1
    • Bis(4-nitrobenzyl) malonate|CS-0454760
      67245-85-6
    • ~77%
    • In-stock
      3-((4-Nitrobenzyl)oxy)-3-oxopropanoic acid|CS-W010295
      77359-11-6

    References

    • Nippon Kayaku Kabushiki Kaisha Patent: US5516934 A1, 1996 ;
  • Route2

    References

    • Nippon Kayaku Kabushiki Kaisha Patent: US5087734 A1, 1992 ;
  • Route3

    References

    • US4576746 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

Quality Control

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Computational Chemistry Data

  • TPSA   106.74
  • LogP   1.1127
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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