Description

1-Methyl-3-(trifluoromethoxy)benzene (CAS No. 705-44-2) is a high-purity aromatic compound with the molecular formula C₈H₇F₃O. This specialty chemical features a methyl group and a trifluoromethoxy group attached to a benzene ring, offering unique electronic and steric properties for advanced research applications. With a molecular weight of 176.14 g/mol, it is a clear, colorless to pale yellow liquid at room temperature, exhibiting excellent solubility in common organic solvents. This compound is synthesized under strict quality control to ensure ≥98% purity (GC), making it ideal for pharmaceutical intermediates, agrochemical development, and materials science research. Packaged under inert gas to ensure stability, it is available in various quantities to meet both laboratory and industrial-scale demands.

Properties

• CAS Number: 705-44-2
• Complexity: 144
• IUPAC Name: 1-methyl-3-(trifluoromethoxy)benzene
• InChI: InChI=1S/C8H7F3O/c1-6-3-2-4-7(5-6)12-8(9,10)11/h2-5H,1H3
• InChI Key: WRNXOOXIPSTAGJ-UHFFFAOYSA-N
• Exact Mass: 176.04489933
• Molecular Formula: C8H7F3O
• Molecular Weight: 176.14
• SMILES: CC1=CC(=CC=C1)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 176.04489933
• Synonyms: 1-methyl-3-(trifluoromethoxy)benzene, 705-44-2, 3-(trifluoromethoxy)toluene, 3-Trifluoromethoxytoluene, Benzene,1-methyl-3-(trifluoromethoxy)-, MFCD07366526, SCHEMBL12245, SCHEMBL98062, SCHEMBL538958, SCHEMBL1064625, SCHEMBL1067464, SCHEMBL1068299, SCHEMBL2090025, SCHEMBL2090027, trifluoro(3-methylphenoxy)methane, DTXSID00382494, RWUZGBPUFYNOLZ-UHFFFAOYSA-N, WRNXOOXIPSTAGJ-UHFFFAOYSA-N, 1-Methyl-3-trifluoromethoxy-benzene, SBB089132, AKOS005063646, AC-9833, PS-11649, CS-0087892

Application

1-Methyl-3-(trifluoromethoxy)benzene serves as a key intermediate in the synthesis of fluorinated organic compounds, particularly in pharmaceutical and agrochemical research. Its trifluoromethoxy group enhances metabolic stability and lipophilicity, making it valuable in drug discovery for CNS-targeting molecules. This compound is also utilized in material science for developing specialty polymers and liquid crystals with tailored electronic properties.

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