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CS-W001157 4
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Ethyl 3-(3,4-difluorophenyl)-3-oxopropanoate

  • CAS No. 252955-07-0

  • Cat. No. CS-0099789
  • Purity≥97%
  • MDL No.MFCD03414546

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

Ethyl 3-(3,4-difluorophenyl)-3-oxopropanoate|CS-0099789

Structure of 252955-07-0

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General Information

  • CAS No. 252955-07-0
  • Cat. No. CS-0099789
  • Purity ≥97%
  • MDL No. MFCD03414546
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀F₂O₃
  • Molecular Weight None
  • Synonym(s) UKRORGSYN-BB BBV-237154
  • SMILES O=C(CC(C1=CC=C(C(F)=C1)F)=O)OCC

Synthesis

  • Route1

    References

    • Jae; Winn; Von Geldern; Sorensen; Chiou; Nguyen; Marsh; Opgenorth Journal of Medicinal Chemistry, 2001 , vol. 44, # 23 p. 3978 - 3984
  • Route2
    • In-stock
      1-(3,4-Difluorophenyl)ethanone|CS-W016243
      369-33-5
    • null|null
      105-58-8
    • ~%
    • In-stock
      Ethyl 3-(3,4-difluorophenyl)-3-oxopropanoate|CS-0099789
      252955-07-0

    References

    • Jae, Hwan-Soo; Winn, Martin; Dixon, Douglas B.; Marsh, Kennan C.; Nguyen, Bach; Opgenorth, Terry J.; Von Geldern, Thomas W. Journal of Medicinal Chemistry, 1997 , vol. 40, # 20 p. 3217 - 3227

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.1007
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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