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CS-W001157 4
Total: USD 88.00

4-Nitro-3-(trifluoromethylsulfonyloxy)benzyl pivalate

  • CAS No. 929095-35-2

  • Cat. No. CS-M0517
  • Molecule weight385.31
  • Purity≥98%
  • MDL No.None

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

4-Nitro-3-(trifluoromethylsulfonyloxy)benzyl pivalate|CS-M0517

Structure of 929095-35-2

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General Information

  • CAS No. 929095-35-2
  • Cat. No. CS-M0517
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄F₃NO₇S
  • Molecular Weight 385.31
  • Synonym(s) 4-Nitro-3-{[(trifluoromethyl)sulfonyl]oxy}benzyl pivalate
  • SMILES O=C(C(C)(C)C)OCC1=CC(OS(=O)(C(F)(F)F)=O)=C([N+]([O-])=O)C=C1

Synthesis

  • Route1

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2007/30366 A1, 2007 ; Location in patent: Page/Page column 72 ;
  • Route2

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2007/30361 A2, 2007 ; Location in patent: Page/Page column 44-45 ; WO 2007/030361 A2

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   112.81
  • LogP   2.9125
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   5

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