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1-Methyl-2-nitro-3-(trifluoromethyl)benzene

  • CAS No. 92891-23-1

  • Cat. No. CS-0199729
  • Purity≥98%
  • MDL No.MFCD04972920

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

1-Methyl-2-nitro-3-(trifluoromethyl)benzene|CS-0199729

Structure of 92891-23-1

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General Information

  • CAS No. 92891-23-1
  • Cat. No. CS-0199729
  • Purity ≥98%
  • MDL No. MFCD04972920
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₂
  • Molecular Weight 205.13
  • Synonym(s) 2-Nitro-3-Methylbenzotrifluoride
  • SMILES CC1=C(C(=CC=C1)C(F)(F)F)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Monsanto Company Patent: US4467125 A1, 1984 ;
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 51, # 20 p. 3903 - 3904
  • Route3
    • null|null
      5437-38-7
    • ~%
    • 1-Methyl-2-nitro-3-(trifluoromethyl)benzene|CS-0199729
      92891-23-1

    References

    • AT341509DE2405479 , ; Chem.Abstr., , vol. 81, # 151817

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.92202
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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