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CS-W001157 4
Total: USD 88.00

Methyl 2-nitro-4-(trifluoromethyl)benzoate

  • CAS No. 228418-45-9

  • Cat. No. CS-0094440
  • Purity≥97%
  • MDL No.MFCD08282772

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

Methyl 2-nitro-4-(trifluoromethyl)benzoate|CS-0094440

Structure of 228418-45-9

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General Information

  • CAS No. 228418-45-9
  • Cat. No. CS-0094440
  • Purity ≥97%
  • MDL No. MFCD08282772
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO₄
  • Molecular Weight 249.14
  • Synonym(s) 2-nitro-4-trifluoromethylbenzoic acid methyl ester
  • SMILES O=C(OC)C1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      2-Nitro-4-(trifluoromethyl)benzoic acid|CS-W014160
      320-94-5
    • ~10%
    • In-stock
      Methyl 2-nitro-4-(trifluoromethyl)benzoate|CS-0094440
      228418-45-9

    References

    • ELI LILLY AND COMPANY Patent: WO2006/2342 A1, 2006 ; Location in patent: Page/Page column 55 ;
  • Route2

    References

    • BAYER CORPORATION Patent: US2004/102636 A1, 2004 ; US 20040102636 A1
  • Route3
    • null|null
      1445-45-0
    • In-stock
      2-Nitro-4-(trifluoromethyl)benzoic acid|CS-W014160
      320-94-5
    • ~99%
    • In-stock
      Methyl 2-nitro-4-(trifluoromethyl)benzoate|CS-0094440
      228418-45-9

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: WO2006/116412 A2, 2006 ; Location in patent: Page/Page column 223; 224 ; WO 2006/116412 A2

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

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