Description

Methyl 4-(trifluoromethoxy)benzoate (CAS No. 780-31-4) is a high-purity organic compound with the molecular formula C₉H₇F₃O₃. This ester derivative features a trifluoromethoxy group at the para position of the benzoate ring, offering unique electronic and steric properties ideal for advanced chemical synthesis and pharmaceutical research. Its exceptional stability and reactivity make it a valuable intermediate in the development of agrochemicals, pharmaceuticals, and specialty materials. Packaged under stringent quality control, this product is available in various quantities to meet both laboratory and industrial-scale demands. Suitable for use in cross-coupling reactions, esterifications, and as a building block for fluorinated compounds.

Properties

• CAS Number: 780-31-4
• Complexity: 219
• IUPAC Name: methyl 4-(trifluoromethoxy)benzoate
• InChI: InChI=1S/C9H7F3O3/c1-14-8(13)6-2-4-7(5-3-6)15-9(10,11)12/h2-5H,1H3
• InChI Key: JFFLBWZTJAWGNP-UHFFFAOYSA-N
• Exact Mass: 220.03472857
• Molecular Formula: C9H7F3O3
• Molecular Weight: 220.14
• SMILES: COC(=O)C1=CC=C(C=C1)OC(F)(F)F
• Topological: 35.5
• Monoisotopic Mass: 220.03472857
• Synonyms: methyl 4-(trifluoromethoxy)benzoate, 780-31-4, MFCD00041006, Benzoic acid, 4-(trifluoromethoxy)-, methyl ester, Methyl4-(Trifluoromethoxy)benzoate, Benzoic acid,4-(trifluoromethoxy)-, methyl ester, SCHEMBL514351, SCHEMBL514352, methyl 4-trifluoromethoxybenzoate, SCHEMBL21268404, DTXSID10353231, AC7766, BBL103379, SBB095906, STL557189, AKOS015852952, PS-7867, SY030133, CS-0188989

Methyl 4-(trifluoromethoxy)benzoate is widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its trifluoromethoxy group enhances lipophilicity and metabolic stability, making it valuable in drug design. Researchers utilize this compound in Suzuki-Miyaura cross-coupling reactions to create complex aromatic systems. It also serves as a precursor for liquid crystals and advanced materials due to its unique electronic properties.

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