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CS-W001157 4
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2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-one

  • CAS No. 657-15-8

  • Cat. No. CS-0042058
  • Purity≥97%
  • MDL No.MFCD00034541

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

2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-one|CS-0042058

Structure of 657-15-8

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General Information

  • CAS No. 657-15-8
  • Cat. No. CS-0042058
  • Purity ≥97%
  • MDL No. MFCD00034541
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃NO₃
  • Molecular Weight 219.12
  • Synonym(s) 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one
  • SMILES O=[N+](C1=CC(C(C(F)(F)F)=O)=CC=C1)[O-]

Synthesis

  • Route1

    References

    • HANMI PHARM CO., LTD.; BAE, In Hwan; SON, Jung Beom; HAN, Sang Mi; KWAK, Eun Joo; KIM, Ho Seok; SONG, Ji Young; BYUN, Eun Young; JUN, Seung Ah; AHN, Young Gil; SUH, Kwee Hyun Patent: WO2013/100632 A1, 2013 ; Location in patent: Page/Page column 89; 90 ;
  • Route2

    References

    • Suzuki; Tatsumi; Maeda Synthesis, 1995 , # 11 p. 1353 - 1354
  • Route3

    References

    • Liebeskind; Srogl Journal of the American Chemical Society, 2000 , vol. 122, # 45 p. 11260 - 11261

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-P305+P351+P338-P330-P362+P364-P403+P233-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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