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CS-W001157 4
Total: USD 88.00

Bis(4-nitrobenzyl) malonate

  • CAS No. 67245-85-6

  • Cat. No. CS-0454760
  • Molecule weight374.30
  • Purity≥98%
  • MDL No.None

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

Bis(4-nitrobenzyl) malonate|CS-0454760

Structure of 67245-85-6

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General Information

  • CAS No. 67245-85-6
  • Cat. No. CS-0454760
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₄N₂O₈
  • Molecular Weight 374.30
  • Synonym(s) Malonic Acid Bis(4-nitrobenzyl) Ester
  • SMILES C1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      141-82-2
    • null|null
      100-11-8
    • ~50%
    • Bis(4-nitrobenzyl) malonate|CS-0454760
      67245-85-6

    References

    • Schmitt, Susan M.; Johnston, David B.R.; Christensen, B.G. Journal of Organic Chemistry, 1980 , vol. 45, # 6 p. 1142 - 1148

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H315-H319-H340
Precautionary Statements : P264-P280-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   138.88
  • LogP   2.6797
  • H_Acceptors   8
  • H_Donors   0
  • Rotatable_Bonds   8

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