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CS-W001157 4
Total: USD 88.00

trans-3,4-Difluorocinnamic acid

  • CAS No. 112897-97-9

  • Cat. No. CS-W017014
  • Molecule weight184.14
  • Purity≥98%
  • MDL No.MFCD00010320

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

trans-3,4-Difluorocinnamic acid|CS-W017014

Structure of 112897-97-9

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General Information

  • CAS No. 112897-97-9
  • Cat. No. CS-W017014
  • Purity ≥98%
  • MDL No. MFCD00010320
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₂O₂
  • Molecular Weight 184.14
  • Synonym(s) (E)-3-(3,4-Difluorophenyl)acrylic acid
  • SMILES OC(=O)\C=C\C1=CC(F)=C(F)C=C1

Synthesis

  • Route1
    • null|null
      110-89-4
    • 3,4-Difluorobenzaldehyde  Ticagrelor Impurity|CS-0167233
      34036-07-2
    • ~%
    • In-stock
      trans-3,4-Difluorocinnamic acid|CS-W017014
      112897-97-9

    References

    • US2003/148888 A1, ;
  • Route2
    • null|null
      348-61-8
    • null|null
      79-10-7
    • ~79%
    • In-stock
      trans-3,4-Difluorocinnamic acid|CS-W017014
      112897-97-9

    References

    • Aizikovich; Korotaev Russian Journal of Organic Chemistry, 1997 , vol. 33, # 4 p. 563 - 564
  • Route3
    • null|null
      141-82-2
    • 3,4-Difluorobenzaldehyde  Ticagrelor Impurity|CS-0167233
      34036-07-2
    • ~71%
    • In-stock
      trans-3,4-Difluorocinnamic acid|CS-W017014
      112897-97-9

    References

    • Chen, Ximin; Shen, Yuehai; Wen, Jianxun Molecular Crystals and Liquid Crystals, 2010 , vol. 528, p. 138 - 146

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.0626
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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