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CS-W001157 4
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(E)-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylic acid

  • CAS No. 62806-37-5

  • Cat. No. CS-0326803
  • Purity≥98%
  • MDL No.None

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

(E)-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylic acid|CS-0326803

Structure of 62806-37-5

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General Information

  • CAS No. 62806-37-5
  • Cat. No. CS-0326803
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉F₃O₃
  • Molecular Weight 282.21
  • Synonym(s) 3-[5-[3-(Trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
  • SMILES C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(/C=C/C(=O)O)O2

Synthesis

  • Route1
    • null|null
      141-82-2
    • 5-[3-(Trifluoromethyl)phenyl]-2-furaldehyde|CS-0116930
      52130-30-0
    • ~86%
    • (E)-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylic acid|CS-0326803
      62806-37-5

    References

    • Mitsch, Andreas; Wissner, Pia; Silber, Katrin; Haebel, Peter; Sattler, Isabel; Klebe, Gerhard; Schlitzer, Martin Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 17 p. 4585 - 4600

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   50.44
  • LogP   4.0632
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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