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CS-W001157 4
Total: USD 88.00

Ethyl 4-(trifluoromethoxy)benzoate

  • CAS No. 587-18-8

  • Cat. No. CS-0326923
  • Purity95+%
  • MDL No.None

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

Ethyl 4-(trifluoromethoxy)benzoate|CS-0326923

Structure of 587-18-8

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General Information

  • CAS No. 587-18-8
  • Cat. No. CS-0326923
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O₃
  • Molecular Weight 234.17
  • Synonym(s) Ethyl-4-(trifluoroMethoxy) benzoate
  • SMILES CCOC(=O)C1=CC=C(C=C1)OC(F)(F)F

Synthesis

  • Route1

    References

    • Shang, Rui; Fu, Yao; Li, Jia-Bin; Zhang, Song-Lin; Guo, Qing-Xiang; Liu, Lei Journal of the American Chemical Society, 2009 , vol. 131, p. 5738 - 5739
  • Route2
    • Ethyl 4-(tributylstannyl)benzoate|CS-0876530
      294210-67-6
    • null|null
      96898-10-1
    • ~82%
    • Ethyl 4-(trifluoromethoxy)benzoate|CS-0326923
      587-18-8

    References

    • Huang, Chenghong; Liang, Theresa; Harada, Shinji; Lee, Eunsung; Ritter, Tobias Journal of the American Chemical Society, 2011 , vol. 133, # 34 p. 13308 - 13310

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   2.7619
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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