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CS-W001157 4
Total: USD 88.00

4-Methyl-2-nitrophenyl trifluoromethanesulfonate

  • CAS No. 195455-54-0

  • Cat. No. CS-0522593
  • Molecule weight285.20
  • Purity≥98%
  • MDL No.MFCD25541871

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

4-Methyl-2-nitrophenyl trifluoromethanesulfonate|CS-0522593

Structure of 195455-54-0

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General Information

  • CAS No. 195455-54-0
  • Cat. No. CS-0522593
  • Purity ≥98%
  • MDL No. MFCD25541871
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₅S
  • Molecular Weight 285.20
  • Synonym(s) Methanesulfonic acid, 1,1,1-trifluoro-, 4-methyl-2-nitrophenyl ester
  • SMILES O=S(C(F)(F)F)(OC1=CC=C(C)C=C1[N+]([O-])=O)=O

Synthesis

  • Route1
    • null|null
      358-23-6
    • null|null
      119-33-5
    • ~99%
    • In-stock
      4-Methyl-2-nitrophenyl trifluoromethanesulfonate|CS-0522593
      195455-54-0

    References

    • ABBOTT LABORATORIES Patent: WO2008/133753 A2, 2008 ; Location in patent: Page/Page column 59 ;
  • Route2
    • null|null
      106-44-5
    • ~%
    • In-stock
      4-Methyl-2-nitrophenyl trifluoromethanesulfonate|CS-0522593
      195455-54-0

    References

    • Betageri, Raj; Gilmore, Thomas; Kuzmich, Daniel; Kirrane, Thomas M.; Bentzien, Joerg; Wiedenmayer, Dieter; Bekkali, Younes; Regan, John; Berry, Angela; Latli, Bachir; Kukulka, Alison J.; Fadra, Tazmeen N.; Nelson, Richard M.; Goldrick, Susan; Zuvela-Jelaska, Ljiljana; Souza, Don; Pelletier, Josephine; Dinallo, Roger; Panzenbeck, Mark; Torcellini, Carol; Lee, Heewon; Pack, Edward; Harcken, Christian; Nabozny, Gerald; Thomson, David S. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 22 p. 6842 - 6851

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   2.13162
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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