Description

2-(Trifluoromethoxy)anisole (CAS No. 261952-22-1) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₇F₃O₂. This specialty chemical, also known by its IUPAC name 1-methoxy-2-(trifluoromethoxy)benzene, is a versatile building block in organic synthesis and pharmaceutical research. Its unique trifluoromethoxy and methoxy substituents make it valuable for modulating lipophilicity and electronic properties in drug discovery. Available in >98% purity (GC), this compound is supplied in rigorously tested batches with full analytical documentation (GC/MS, NMR) to ensure reproducibility. Suitable for use in Suzuki couplings, nucleophilic substitutions, and other transformations, it is packaged under inert gas in amber glass vials to ensure stability.

Properties

• CAS Number: 261952-22-1
• Complexity: 158
• IUPAC Name: 1-methoxy-2-(trifluoromethoxy)benzene
• InChI: InChI=1S/C8H7F3O2/c1-12-6-4-2-3-5-7(6)13-8(9,10)11/h2-5H,1H3
• InChI Key: TUXDRFWDZPJPPD-UHFFFAOYSA-N
• Exact Mass: 192.03981395
• Molecular Formula: C8H7F3O2
• Molecular Weight: 192.13
• SMILES: COC1=CC=CC=C1OC(F)(F)F
• Topological: 18.5
• Monoisotopic Mass: 192.03981395
• Synonyms: 2-(Trifluoromethoxy)anisole, 261952-22-1, DTXSID10380406, DTXCID50331432, 687-921-7, 1-methoxy-2-(trifluoromethoxy)benzene, 2-Trifluoromethoxyanisole, Benzene, 1-methoxy-2-(trifluoromethoxy)-, MFCD01631503, SCHEMBL182573, SCHEMBL625622, SCHEMBL1064604, SCHEMBL1067882, SCHEMBL1068547, SCHEMBL4800503, trifluoro(2-methoxyphenoxy)methane, SBB091377, AKOS015889473, PS-8334, DB-067571, A5202, CS-0087899, E89585

Application

2-(Trifluoromethoxy)anisole serves as a key intermediate in the synthesis of bioactive molecules, particularly in the development of CNS-active pharmaceuticals where the trifluoromethoxy group enhances blood-brain barrier penetration. It is employed in material science for creating fluorinated liquid crystals and dielectric materials. Researchers also utilize this compound as a probe for studying electronic effects of simultaneous alkoxy/fluoroalkoxy substitution on aromatic systems.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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