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CS-W001157 4
Total: USD 88.00

2,2,2-Trifluoro-1-(4-nitrophenyl)ethanone

  • CAS No. 58808-61-0

  • Cat. No. CS-D0867
  • Molecule weight219.12
  • Purity≥98%
  • MDL No.MFCD13173414

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

2,2,2-Trifluoro-1-(4-nitrophenyl)ethanone|CS-D0867

Structure of 58808-61-0

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General Information

  • CAS No. 58808-61-0
  • Cat. No. CS-D0867
  • Purity ≥98%
  • MDL No. MFCD13173414
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃NO₃
  • Molecular Weight 219.12
  • Synonym(s) Ethanone, 2,2,2-trifluoro-1-(4-nitrophenyl)- (9CI)
  • SMILES O=C(C(F)(F)F)C1=CC=C([N+]([O-])=O)C=C1

Synthesis

  • Route1
    • In-stock
      2,2,2-Trifluoro-1-(4-nitrophenyl)ethanol|CS-0380505
      241127-76-4
    • ~47%
    • In-stock
      2,2,2-Trifluoro-1-(4-nitrophenyl)ethanone|CS-D0867
      58808-61-0
    • null|null
      144459-68-7

    References

    • Tanaka, Yusuke; Ishihara, Takashi; Konno, Tsutomu Journal of Fluorine Chemistry, 2012 , vol. 137, p. 99 - 104
  • Route2

    References

    • Wiedemann, Juergen; Heiner, Thomas; Mloston, Gregorz; Prakash, G.K. Surya; Olah, George A. Angewandte Chemie - International Edition, 1998 , vol. 37, # 6 p. 820 - 821
  • Route3

    References

    • Cheng, Huicheng; Pei, Yu; Leng, Faqiang; Li, Jingya; Liang, Apeng; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng Tetrahedron Letters, 2013 , vol. 54, # 33 p. 4483 - 4486

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-H320-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   60.21
  • LogP   2.3398
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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