Description

3,4-Difluoro-5-ethoxytoluene (CAS No. 886037-60-1) is a high-purity fluorinated aromatic compound with the molecular formula C₉H₁₀F₂O and IUPAC name 1-ethoxy-2,3-difluoro-5-methylbenzene. This specialty chemical is meticulously synthesized for research and industrial applications requiring precise fluorinated building blocks. Its unique structure, featuring both ethoxy and difluoro substitutions on a toluene backbone, makes it a valuable intermediate in pharmaceutical, agrochemical, and materials science research. Available in >98% purity (GC), it is supplied in amber glass vials under inert atmosphere to ensure stability. Technical data including ¹H/¹⁹F NMR spectra, GC-MS chromatograms, and elemental analysis reports are provided with each batch.

Properties

• CAS Number: 886037-60-1
• Complexity: 140
• IUPAC Name: 1-ethoxy-2,3-difluoro-5-methyl-benzene
• InChI: InChI=1S/C9H10F2O/c1-3-12-8-5-6(2)4-7(10)9(8)11/h4-5H,3H2,1-2H3
• InChI Key: KBGHAPDFFMIEPC-UHFFFAOYSA-N
• Exact Mass: 172.06997126
• Molecular Formula: C9H10F2O
• Molecular Weight: 172.17
• SMILES: CCOC1=C(C(=CC(=C1)C)F)F
• Topological: 9.2
• Monoisotopic Mass: 172.06997126
• Synonyms: 3,4-Difluoro-5-ethoxytoluene, SCHEMBL2212304, 886037-60-1

Application

This compound serves as a key fluorinated intermediate in the synthesis of advanced pharmaceutical candidates, particularly those targeting CNS disorders. The electron-withdrawing fluorine atoms and ether linkage make it valuable for developing PET radiotracers and bioactive molecules. In material science, it’s used to modify polymer properties through aromatic fluorination. The compound also finds use in crop protection chemical development due to its metabolic stability imparted by the fluorine atoms.

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