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CS-W001157 4
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1-(2-Fluoro-4-nitrophenyl)-4-methyl-1H-imidazole

  • CAS No. 252337-29-4

  • Cat. No. CS-0516808
  • Molecule weight221.19
  • Purity≥98%
  • MDL No.None

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

1-(2-Fluoro-4-nitrophenyl)-4-methyl-1H-imidazole|CS-0516808

Structure of 252337-29-4

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General Information

  • CAS No. 252337-29-4
  • Cat. No. CS-0516808
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈FN₃O₂
  • Molecular Weight 221.19
  • Synonym(s) 3-fluoro-4-(4-methylimidazol-1-yl)nitrobenzene
  • SMILES CC1=CN(C2=CC=C([N+](=O)[O-])C=C2F)C=N1

Synthesis

  • Route1

    References

    • ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC; GIJSEN, Henricus, Jacobus, Maria; BISCHOFF, Francois Paul; ZHUANG, Wei; VAN BRANDT, Sven, Franciscus, Anna; SURKYN, Michel; ZAJA, Mirko; BERTHELOT, Didier, Jean-Claude; DE CLEYN, Michel, Anna, Jozef; MACDONALD, Gregor, James; OEHLRICH, Daniel Patent: WO2010/94647 A1, 2010 ; Location in patent: Page/Page column 86-87 ; WO 2010/094647 A1

Safety Information

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Hazard Statements : N/A
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Computational Chemistry Data

  • TPSA   60.96
  • LogP   2.22802
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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