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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 112641-21-1

  • Cat. No. CS-0441090
  • Purity≥98%
  • MDL No.None

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

1-Methyl-3-nitro-2-(trifluoromethyl)benzene|CS-0441090

Structure of 112641-21-1

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General Information

  • CAS No. 112641-21-1
  • Cat. No. CS-0441090
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₂
  • Molecular Weight 205.13
  • Synonym(s) 2-Methyl-6-nitrobenzotrifluoride
  • SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])C(F)(F)F

Synthesis

  • Route1
    • null|null
      2314-97-8
    • In-stock
      2-Iodo-1-methyl-3-nitrobenzene|CS-0041329
      6277-17-4
    • ~%
    • In-stock
      1-Methyl-3-nitro-2-(trifluoromethyl)benzene|CS-0441090
      112641-21-1

    References

    • FISONS plc Patent: EP225175 A3, 1988 ;
  • Route2
    • null|null
      1448037-99-7
    • In-stock
      (Trifluoromethyl)trimethylsilane|CS-0008418
      81290-20-2
    • ~35%
    • In-stock
      1-Methyl-3-nitro-2-(trifluoromethyl)benzene|CS-0441090
      112641-21-1

    References

    • Hafner, Andreas; Braese, Stefan Advanced Synthesis and Catalysis, 2013 , vol. 355, # 5 p. 996 - 1000

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-H319-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   43.14
  • LogP   2.92202
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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