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CS-W001157 4
Total: USD 88.00

Methyl 3-nitro-4-(trifluoromethyl)benzoate

  • CAS No. 126541-81-9

  • Cat. No. CS-0044916
  • Purity≥98%
  • MDL No.MFCD09264510

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

Methyl 3-nitro-4-(trifluoromethyl)benzoate|CS-0044916

Structure of 126541-81-9

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General Information

  • CAS No. 126541-81-9
  • Cat. No. CS-0044916
  • Purity ≥98%
  • MDL No. MFCD09264510
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO₄
  • Molecular Weight 249.14
  • Synonym(s) Methyl 3-nitro-4-trifluoromethylbenzoate
  • SMILES O=C(OC)C1=CC=C(C(F)(F)F)C([N+]([O-])=O)=C1

Synthesis

  • Route1

    References

    • Liebigs Annalen der Chemie, , # 6 p. 569 - 579
  • Route2
    • null|null
      186581-53-3
    • In-stock
      4-(Trifluoromethyl)-3-nitrobenzoic acid|CS-W023079
      116965-16-3
    • ~%
    • In-stock
      Methyl 3-nitro-4-(trifluoromethyl)benzoate|CS-0044916
      126541-81-9

    References

    • Giencke, Astrid; Lackner, Helmut Liebigs Annalen der Chemie, 1990 , # 6 p. 569 - 579

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   69.44
  • LogP   2.4002
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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