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CS-W001157 4
Total: USD 88.00

2-Methyl-3-(trifluoromethyl)aniline

  • CAS No. 54396-44-0

  • Cat. No. CS-W002448
  • Purity≥97%
  • MDL No.MFCD00153216

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

2-Methyl-3-(trifluoromethyl)aniline|CS-W002448

Structure of 54396-44-0

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General Information

  • CAS No. 54396-44-0
  • Cat. No. CS-W002448
  • Purity ≥97%
  • MDL No. MFCD00153216
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈F₃N
  • Molecular Weight 175.15
  • Synonym(s) 3-Trifluoromethyl-2-methylaniline
  • SMILES CC1=C(C(F)(F)F)C=CC=C1N

Description

2-Methyl-3-(trifluoromethyl)aniline belongs to the trifluoromethylbenzene series.2-Methyl-3-(trifluoromethyl)aniline may be used in chemical synthesis.

Application

2-Methyl-3-(trifluoromethyl)aniline serves as a valuable building block in medicinal chemistry, enabling the synthesis of trifluoromethylated aromatic scaffolds. Its electron-withdrawing trifluoromethyl group enhances metabolic stability and modulates lipophilicity, while the ortho-methyl substituent supports directed metallation and regioselective functionalization. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, facilitating efficient access to complex heterocyclic systems and API intermediates.

Synthesis

  • Route1
    • N-(2-Methyl-3-(trifluoromethyl)phenyl)pivalamide|CS-0809817
      150783-50-9
    • ~99%
    • In-stock
      2-Methyl-3-(trifluoromethyl)aniline|CS-W002448
      54396-44-0

    References

    • US5248781 A1, ;
  • Route2

    References

    • US4831193 A1, ;
  • Route3
    • null|null
      62639-16-1
    • ~%
    • In-stock
      2-Methyl-3-(trifluoromethyl)aniline|CS-W002448
      54396-44-0

    References

    • US4172095 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅱ
Hazard Statements : H314-H318-H330
Precautionary Statements : P260-P264-P271-P280-P284-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P320-P363-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.59602
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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