Description

2-Fluorophenetole (CAS No. 451-80-9) is a high-purity fluorinated aromatic ether with the molecular formula C₈H₉FO. Also known as 1-Ethoxy-2-fluorobenzene, this compound is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring an ethoxy group adjacent to a fluorine substituent on a benzene ring, enables versatile reactivity in cross-coupling reactions, nucleophilic substitutions, and as a precursor for advanced intermediates.

This product is rigorously tested for purity (typically ≥97% by GC) and is available in various quantities to suit laboratory-scale and industrial applications. It is supplied in amber glass bottles under inert atmosphere to ensure stability and longevity. Ideal for researchers developing novel fluorinated compounds, 2-Fluorophenetole offers excellent solubility in common organic solvents like dichloromethane, ethanol, and dimethyl sulfoxide (DMSO).

Key Features:

• CAS: 451-80-9
• Molecular Weight: 140.16 g/mol
• Boiling Point: ~185-188°C
• Density: ~1.08 g/cm³
• Storage: Store at 2-8°C in a tightly sealed container

Properties

• CAS Number: 451-80-9
• Complexity: 95.3
• IUPAC Name: 1-ethoxy-2-fluoro-benzene
• InChI: InChI=1S/C8H9FO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
• InChI Key: SQSJADMOVKSAQY-UHFFFAOYSA-N
• Exact Mass: 140.063743068
• Molecular Formula: C8H9FO
• Molecular Weight: 140.15
• SMILES: CCOC1=CC=CC=C1F
• Topological: 9.2
• Monoisotopic Mass: 140.063743068
• Synonyms: 2-Fluorophenetole, 1-Ethoxy-2-fluorobenzene, 654-467-6, 451-80-9, Benzene, 1-ethoxy-2-fluoro-, o-Fluorophenatole, Phenetole, o-fluoro-, o-Fluorophenetole, 1-ethoxy-2-fluoro-benzene, 6K5BR6L5D6, NSC-89718, 2-Ethoxyfluorobenzene, o-Fluorphenetol, NSC89718, MFCD00017909, 2-ethoxy-1-fluorobenzene, UNII-6K5BR6L5D6, 1-Ethoxy-2-fluorobenzene #, SCHEMBL160145, SCHEMBL160177, SCHEMBL161774, SCHEMBL255562, SCHEMBL457783, SCHEMBL1321164, SCHEMBL1321165, DTXSID7075345, 2-FLUORO-1-ETHOXYBENZENE, NSC 89718, SBB086154, AKOS006230560, FS-3887, DB-021134, E89337

Application

2-Fluorophenetole is widely used as a fluorinated synthon in medicinal chemistry for the development of bioactive molecules, particularly in the synthesis of kinase inhibitors and CNS-active compounds. Its electron-withdrawing fluorine enhances the reactivity of adjacent positions for further functionalization. This compound also serves as a precursor in material science for designing liquid crystals and fluorinated polymers with tailored properties. Researchers leverage its stability and compatibility with palladium-catalyzed reactions to construct complex heterocyclic frameworks.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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