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CS-W001157 4
Total: USD 88.00

5-Methyl-2-nitro-4-(trifluoromethyl)aniline

  • CAS No. 1813-24-7

  • Cat. No. CS-0320782
  • Purity≥97%
  • MDL No.None

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

5-Methyl-2-nitro-4-(trifluoromethyl)aniline|CS-0320782

Structure of 1813-24-7

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General Information

  • CAS No. 1813-24-7
  • Cat. No. CS-0320782
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇F₃N₂O₂
  • Molecular Weight 220.15
  • Synonym(s) 5-Methyl-2-nitro-4-trifluoromethyl-phenylamine
  • SMILES CC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N

Synthesis

  • Route1

    References

    • McArthur, Silvia Gatti; Goetschi, Erwin; Wichmann, Juergen; Woltering, Thomas Johannes Patent: US2007/72879 A1, 2007 ; Location in patent: Page/Page column 10-11 ; US 20070072879 A1
  • Route2

    References

    • F.HOFFMANN-LA ROCHE AG Patent: WO2005/123738 A1, 2005 ; Location in patent: Page/Page column 25 ;
  • Route3
    • 1-Chloro-5-methyl-2-nitro-4-(trifluoromethyl)benzene|CS-0565934
      18018-35-4
    • ~%
    • 5-Methyl-2-nitro-4-(trifluoromethyl)aniline|CS-0320782
      1813-24-7

    References

    • Yagupol'skii,L.M.; Matyushecheva,G.I. J. Gen. Chem. USSR (Engl. Transl.), 1963 , vol. 33, # 9 p. 3031 - 3035,2957 - 2960

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

Quality Control

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   2.50422
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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