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CS-W001157 4
Total: USD 88.00

(E)-3-Fluorocinnamic acid

  • CAS No. 20595-30-6

  • Cat. No. CS-W001956
  • Molecule weight166.15
  • Purity≥95%
  • MDL No.MFCD00004383

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

(E)-3-Fluorocinnamic acid|CS-W001956

Structure of 20595-30-6

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General Information

  • CAS No. 20595-30-6
  • Cat. No. CS-W001956
  • Purity ≥95%
  • MDL No. MFCD00004383
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇FO₂
  • Molecular Weight 166.15
  • Synonym(s) 3-Fluorocinnamic acid
  • SMILES O=C(/C=C/C1=CC=CC(F)=C1)O

Synthesis

  • Route1
    • null|null
      110-89-4
    • In-stock
      3-Fluorobenzaldehyde|CS-W013534
      456-48-4
    • ~83%
    • In-stock
      (E)-3-Fluorocinnamic acid|CS-W001956
      20595-30-6

    References

    • Burroughs Wellcome Co. Patent: US4190674 A1, 1980 ;
  • Route2
    • null|null
      141-82-2
    • In-stock
      3-Fluorobenzaldehyde|CS-W013534
      456-48-4
    • ~10%
    • In-stock
      (E)-3-Fluorocinnamic acid|CS-W001956
      20595-30-6

    References

    • Szymanski, Wiktor; Wu, Bian; Weiner, Barbara; De Wildeman, Stefaan; Feringa, Ben L.; Janssen, Dick B. Journal of Organic Chemistry, 2009 , vol. 74, # 23 p. 9152 - 9157
  • Route3
    • Methyl (E)-3-(3-fluorophenyl)acrylate|CS-0203842
      74325-03-4
    • ~96%
    • In-stock
      (E)-3-Fluorocinnamic acid|CS-W001956
      20595-30-6

    References

    • Merck and Co., Inc. Patent: US6498161 B1, 2002 ; US 6498161 B1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.9235
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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