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CS-W001157 4
Total: USD 88.00

5-Nitro-2-(trifluoromethyl)-1,2-dihydropyrimidine-4,6-diol

  • CAS No. 652-62-0

  • Cat. No. CS-M3675
  • Purity≥95%
  • MDL No.MFCD08436607

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

5-Nitro-2-(trifluoromethyl)-1,2-dihydropyrimidine-4,6-diol|CS-M3675

Structure of 652-62-0

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General Information

  • CAS No. 652-62-0
  • Cat. No. CS-M3675
  • Purity ≥95%
  • MDL No. MFCD08436607
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂F₃N₃O₄
  • Molecular Weight 225.08
  • Synonym(s) 4,6-Pyrimidinediol, 5-nitro-2-(trifluoromethyl)-; 6-Hydroxy-5-nitro-2-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one
  • SMILES OC(N=C(C(F)(F)F)N1)=C([N+]([O-])=O)C1=O

Synthesis

  • Route1

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2006/136442 A1, 2006 ; Location in patent: Page/Page column 26-27 ; WO 2006/136442 A1

Safety Information

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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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   109.12
  • LogP   0.4025
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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