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CS-W001157 4
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1-(3,4-Difluoro-2-hydroxyphenyl)ethan-1-one

  • CAS No. 816450-98-3

  • Cat. No. CS-0133074
  • Purity≥98%
  • MDL No.MFCD12545936

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

1-(3,4-Difluoro-2-hydroxyphenyl)ethan-1-one|CS-0133074

Structure of 816450-98-3

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General Information

  • CAS No. 816450-98-3
  • Cat. No. CS-0133074
  • Purity ≥98%
  • MDL No. MFCD12545936
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₂
  • Molecular Weight 172.13
  • Synonym(s) 1-(3,4-Difluoro-2-hydroxyphenyl)ethanone
  • SMILES CC(C1=CC=C(F)C(F)=C1O)=O

Synthesis

  • Route1
    • 2,3-Difluorophenyl acetate|CS-1188043
      851936-86-2
    • ~91%
    • In-stock
      1-(3,4-Difluoro-2-hydroxyphenyl)ethan-1-one|CS-0133074
      816450-98-3

    References

    • ABBVIE INC.; Woller, Kevin R.; Gfesser, Gregory A.; Liu, Huaqing; Daanen, Jerome F.; Voight, Eric A.; Drizin, Irene I.; Shrestha, Anurupa; Mortell, Kathleen H.; Kym, Philip R.; Kort, Michael E.; Gomtsyan, Arthur Patent: US2013/158067 A1, 2013 ; Location in patent: Paragraph 0347 ;
  • Route2

    References

    • ABBVIE INC.; Woller, Kevin R.; Gfesser, Gregory A.; Liu, Huaqing; Daanen, Jerome F.; Voight, Eric A.; Drizin, Irene I.; Shrestha, Anurupa; Mortell, Kathleen H.; Kym, Philip R.; Kort, Michael E.; Gomtsyan, Arthur Patent: US2013/158067 A1, 2013 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-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   1.873
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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