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CS-W001157 4
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4-Methyl-1-(3-nitro-5-(trifluoromethyl)phenyl)-1H-imidazole

  • CAS No. 916975-92-3

  • Cat. No. CS-0467045
  • Purity≥98%
  • MDL No.MFCD18800877

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

4-Methyl-1-(3-nitro-5-(trifluoromethyl)phenyl)-1H-imidazole|CS-0467045

Structure of 916975-92-3

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General Information

  • CAS No. 916975-92-3
  • Cat. No. CS-0467045
  • Purity ≥98%
  • MDL No. MFCD18800877
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈F₃N₃O₂
  • Molecular Weight 271.20
  • Synonym(s) 4-Methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1H-imidazole
  • SMILES CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2006/135619 A1, 2006 ; Location in patent: Page/Page column 4; 6 ;
  • Route2

    References

    • NOVARTIS AG; NOVARTIS PHARMA GmbH Patent: WO2006/135640 A2, 2006 ; Location in patent: Page/Page column 24-25 ;
  • Route3

    References

    • TARGEGEN INC. Patent: WO2009/49028 A1, 2009 ; Location in patent: Page/Page column 107 ; WO 2009/049028 A1

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   3.10772
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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