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(E)-3-(3,5-Difluorophenyl)prop-2-en-1-ol

  • CAS No. 405937-98-6

  • Cat. No. CS-0170803
  • Molecule weight170.16
  • Purity≥98%
  • MDL No.None

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

(E)-3-(3,5-Difluorophenyl)prop-2-en-1-ol|CS-0170803

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General Information

  • CAS No. 405937-98-6
  • Cat. No. CS-0170803
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₂O
  • Molecular Weight 170.16
  • Synonym(s) 3-(3,5-DIFLUOROPHENYL)PROPENOL
  • SMILES C(=C\C1=CC(=CC(=C1)F)F)/CO

Synthesis

  • Route1

    References

    • Davies, David Thomas; Markwell, Roger Edward; Pearson, Neil David Patent: US2004/53928 A1, 2004 ;
  • Route2
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      721443-73-8
    • ~%
    • (E)-3-(3,5-Difluorophenyl)prop-2-en-1-ol|CS-0170803
      405937-98-6

    References

    • WYETH Patent: WO2008/24492 A2, 2008 ; Location in patent: Page/Page column 60-61 ;
  • Route3

    References

    • Vu, An T.; Cohn, Stephen T.; Zhang, Puwen; Kim, Callain Y.; Mahaney, Paige E.; Bray, Jenifer A.; Johnston, Grace H.; Koury, Elizabeth J.; Cosmi, Scott A.; Deecher, Darlene C.; Smith, Valerie A.; Harrison, James E.; Leventhal, Liza; Whiteside, Garth T.; Kennedy, Jeffrey D.; Trybulski, Eugene J. Journal of Medicinal Chemistry, 2010 , vol. 53, # 5 p. 2051 - 2062

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.9703
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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