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CS-W001157 4
Total: USD 88.00

Methyl 4-methyl-3-(trifluoromethyl)benzoate

  • CAS No. 116419-94-4

  • Cat. No. CS-0153566
  • Purity≥98%
  • MDL No.MFCD14698074

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

Methyl 4-methyl-3-(trifluoromethyl)benzoate|CS-0153566

Structure of 116419-94-4

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General Information

  • CAS No. 116419-94-4
  • Cat. No. CS-0153566
  • Purity ≥98%
  • MDL No. MFCD14698074
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O₂
  • Molecular Weight 218.17
  • Synonym(s) Methyl 4-methyl-3-trifluorobenzoate
  • SMILES CC1=C(C=C(C=C1)C(=O)OC)C(F)(F)F

Synthesis

  • Route1
    • null|null
      74-88-4
    • ~99%
    • In-stock
      Methyl 4-methyl-3-(trifluoromethyl)benzoate|CS-0153566
      116419-94-4

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/71963 A2, 2007 ; Location in patent: Page/Page column 56 ; WO 2007/071963 A2
  • Route2
    • In-stock
      4-Methyl-3-(trifluoromethyl)benzoic acid|CS-W007459
      261952-01-6
    • null|null
      67-56-1
    • ~97%
    • In-stock
      Methyl 4-methyl-3-(trifluoromethyl)benzoate|CS-0153566
      116419-94-4

    References

    • NOVA DECISION; AZASYNTH; YASRI, Abdelaziz; CHEVE, Gwenael; BORIES, Cedric; DELON, Louis Patent: WO2010/92489 A1, 2010 ; Location in patent: Page/Page column 96-97 ; WO 2010/092489 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   26.3
  • LogP   2.80042
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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