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CS-W001157 4
Total: USD 88.00

4-(2,2,2-Trifluoroacetyl)benzaldehyde

  • CAS No. 86988-50-3

  • Cat. No. CS-0356361
  • Molecule weight202.13
  • Purity≥97%
  • MDL No.None

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

4-(2,2,2-Trifluoroacetyl)benzaldehyde|CS-0356361

Structure of 86988-50-3

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General Information

  • CAS No. 86988-50-3
  • Cat. No. CS-0356361
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₃O₂
  • Molecular Weight 202.13
  • Synonym(s) Benzaldehyde, 4-(trifluoroacetyl)- (9CI)
  • SMILES O=CC1=CC=C(C(C(F)(F)F)=O)C=C1

Synthesis

  • Route1

    References

    • Nassal, Michael Liebigs Annalen der Chemie, 1983 , # 9 p. 1510 - 1523
  • Route2
    • 2,2,2-Trifluoro-1-(4-(hydroxymethyl)phenyl)ethan-1-ol|CS-1197638
      819080-12-1
    • ~%
    • 4-(2,2,2-Trifluoroacetyl)benzaldehyde|CS-0356361
      86988-50-3

    References

    • Kelly, Christopher B.; Mercadante, Michael A.; Hamlin, Trevor A.; Fletcher, Madison H.; Leadbeater, Nicholas E. Journal of Organic Chemistry, 2012 , vol. 77, # 18 p. 8131 - 8141
  • Route3

    References

    • Kelly, Christopher B.; Mercadante, Michael A.; Hamlin, Trevor A.; Fletcher, Madison H.; Leadbeater, Nicholas E. Journal of Organic Chemistry, 2012 , vol. 77, # 18 p. 8131 - 8141

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

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.2441
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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