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CS-W001157 4
Total: USD 88.00

2-Methyl-4-(trifluoromethoxy)aniline

  • CAS No. 86256-59-9

  • Cat. No. CS-W013219
  • Purity≥98%
  • MDL No.MFCD01631541

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

2-Methyl-4-(trifluoromethoxy)aniline|CS-W013219

Structure of 86256-59-9

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General Information

  • CAS No. 86256-59-9
  • Cat. No. CS-W013219
  • Purity ≥98%
  • MDL No. MFCD01631541
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈F₃NO
  • Molecular Weight None
  • Synonym(s) 2-Methyl-4-(trifluoromethoxy)benzenamine
  • SMILES NC1=CC=C(OC(F)(F)F)C=C1C

Description

2-Methyl-4-(trifluoromethoxy)aniline features a trifluoromethoxy group that enhances electron-withdrawal and metabolic stability, while the methyl substituent provides steric modulation. This combination imparts improved solubility and handling robustness under standard conditions, making it well-suited for use in pharmaceutical intermediates and agrochemical synthesis.

Application

2-Methyl-4-(trifluoromethoxy)aniline serves as a versatile building block in medicinal chemistry, enabling efficient access to diverse heterocyclic scaffolds. Its trifluoromethoxy group enhances metabolic stability and modulates lipophilicity, while the aniline functionality facilitates direct coupling reactions and electrophilic substitutions. Bench-stable and readily purified by recrystallization, it functions effectively in amide bond formation, Suzuki-Miyaura couplings, and Ullmann-type arylations.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H318
Precautionary Statements : P264-P270-P280-P301+P310-P302+P352-P305+P351+P338-P310-P312-P330-P332+P313-P362+P364-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   2.47582
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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