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CS-W001157 4
Total: USD 88.00

Dimethyl 2-(2-nitro-4-(trifluoromethyl)phenyl)malonate

  • CAS No. 290825-52-4

  • Cat. No. CS-0197120
  • Purity≥95%
  • MDL No.None

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

Dimethyl 2-(2-nitro-4-(trifluoromethyl)phenyl)malonate|CS-0197120

Structure of 290825-52-4

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General Information

  • CAS No. 290825-52-4
  • Cat. No. CS-0197120
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀F₃NO₆
  • Molecular Weight 321.21
  • Synonym(s) 1,3-Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate
  • SMILES COC(=O)C(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C(=O)OC

Synthesis

  • Route1

    References

    • US2006/47126 A1, ; Page/Page column 26 ;
  • Route2

    References

    • US6878733 B1, ; Page/Page column 171 ; US 6878733 B1
  • Route3

    References

    • WO2007/106564 A2, ; Page/Page column 49-50 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   95.74
  • LogP   2.0432
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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