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CS-W001157 4
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Methyl 4-(thiophen-2-yl)benzoate

  • CAS No. 17595-86-7

  • Cat. No. CS-0333830
  • Purity95+%
  • MDL No.None

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

Methyl 4-(thiophen-2-yl)benzoate|CS-0333830

Structure of 17595-86-7

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General Information

  • CAS No. 17595-86-7
  • Cat. No. CS-0333830
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀O₂S
  • Molecular Weight 218.27
  • Synonym(s) Methyl4-thiophen-2-ylbenzoate
  • SMILES COC(=O)C1=CC=C(C=C1)C2=CC=CS2

Synthesis

  • Route1

    References

    • Snelders, Dennis J. M.; Kreiter, Robert; Firet, Judith J.; Van Koten, Gerard; Gebbink, Robertus J. M. Klein Advanced Synthesis and Catalysis, 2008 , vol. 350, # 2 p. 262 - 266
  • Route2

    References

    • Bensaid, Souhila; Roger, Julien; Beydoun, Kassem; Roy, David; Doucet, Henri Synthetic Communications, 2011 , vol. 41, # 23 p. 3524 - 3531
  • Route3

    References

    • Wu, Lei; Li, Zhi-Wei; Zhang, Feng; He, Yan-Mei; Fan, Qing-Hua Advanced Synthesis and Catalysis, 2008 , vol. 350, # 6 p. 846 - 862

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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.2017
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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