Description

4-(Trifluoromethoxy)aniline Hydrochloride (CAS No. 42823-24-5) is a high-purity organic compound with the molecular formula C₇H₇ClF₃NO. This hydrochloride salt derivative of 4-(trifluoromethoxy)aniline is a valuable building block in pharmaceutical and agrochemical research, offering enhanced solubility and stability for synthetic applications. The compound features a trifluoromethoxy (-OCF₃) group, which imparts unique electronic and steric properties, making it ideal for modulating bioactivity in drug discovery. Supplied as a white to off-white crystalline powder, it is characterized by its high chemical purity (>98%) and low moisture content, ensuring reliable performance in reactions. Suitable for use in nucleophilic substitutions, cross-coupling reactions, and as a precursor for heterocyclic synthesis. Packaged under inert gas to maintain stability and shipped with detailed analytical certificates (HPLC, NMR, MS).

Properties

• CAS Number: 42823-24-5
• Complexity: 140
• IUPAC Name: 4-(trifluoromethoxy)aniline;hydrochloride
• InChI: InChI=1S/C7H6F3NO.ClH/c8-7(9,10)12-6-3-1-5(11)2-4-6;/h1-4H,11H2;1H
• InChI Key: JKQIMISQMPPBGR-UHFFFAOYSA-N
• Exact Mass: 213.0168260
• Molecular Formula: C7H7ClF3NO
• Molecular Weight: 213.58
• SMILES: C1=CC(=CC=C1N)OC(F)(F)F.Cl
• Topological: 35.3
• Monoisotopic Mass: 213.0168260
• Synonyms: 4-(trifluoromethoxy)aniline Hydrochloride, 42823-24-5, 4-(trifluoromethoxy)aniline;hydrochloride, 4-(Trifluoromethoxy)aniline HCl, MFCD00219956, SCHEMBL8756363, DTXSID40381729, SBB094847, AKOS015995447, PS-7970, SB76792, 4-(trifluoromethoxy)anilineHydrochloride, 4-(trifluoromethoxy)phenylamine, chloride, DB-070351, CS-0317841, E83886, EN300-7368682

Application

4-(Trifluoromethoxy)aniline Hydrochloride is widely used as an intermediate in the synthesis of pharmaceuticals, particularly for compounds targeting CNS disorders and inflammation. Its trifluoromethoxy group enhances metabolic stability, making it valuable in medicinal chemistry for optimizing drug candidates. The compound also serves as a key precursor in agrochemical research for developing herbicides and pesticides with improved efficacy. Researchers leverage its reactivity in palladium-catalyzed cross-coupling reactions to construct complex aromatic systems.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.