Description

1,7,8-Trifluoronaphthalen-2-ol (CAS No. 676545-61-2) is a high-purity fluorinated naphthol derivative with the molecular formula C₁₀H₅F₃O. This specialized aromatic compound features a naphthalene backbone substituted with three fluorine atoms at the 1, 7, and 8 positions and a hydroxyl group at the 2 position, offering unique electronic and steric properties for advanced synthetic applications. Ideal for pharmaceutical intermediates, materials science research, and organofluorine chemistry, this compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency. Compatible with Suzuki coupling, nucleophilic aromatic substitution, and other transition-metal catalyzed reactions. Store under inert atmosphere at 2-8°C to maintain stability.

Properties

• CAS Number: 676545-61-2
• Complexity: 212
• IUPAC Name: 1,7,8-trifluoronaphthalen-2-ol
• InChI: InChI=1S/C10H5F3O/c11-6-3-1-5-2-4-7(14)10(13)8(5)9(6)12/h1-4,14H
• InChI Key: XKDLQKJOTBECCW-UHFFFAOYSA-N
• Exact Mass: 198.02924926
• Molecular Formula: C10H5F3O
• Molecular Weight: 198.14
• SMILES: C1=CC(=C(C2=C1C=CC(=C2F)F)F)O
• Topological: 20.2
• Monoisotopic Mass: 198.02924926
• Synonyms: 1,7,8-Trifluoronaphthalen-2-ol, 676545-61-2, 1,7,8-trifluoro-2-naphthol, 2-Naphthalenol, 1,7,8-trifluoro-, SCHEMBL1248437, DTXSID10630317, XKDLQKJOTBECCW-UHFFFAOYSA-N

Application

1,7,8-Trifluoronaphthalen-2-ol serves as a key building block in the synthesis of fluorinated polycyclic aromatic hydrocarbons (PAHs) for organic electronics. Its electron-withdrawing trifluoro motif enhances reactivity in palladium-catalyzed cross-coupling reactions for drug discovery. Researchers utilize this compound to develop liquid crystal materials and agrochemicals due to its rigid, polarized structure. The hydroxyl group allows further functionalization via esterification or etherification.

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