Description

2-Ethoxy-1,3-difluorobenzene (CAS No. 946078-87-1) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₈F₂O. This specialized chemical, also known by its IUPAC name 2-ethoxy-1,3-difluorobenzene, features an ethoxy group adjacent to two fluorine atoms on a benzene ring, offering unique electronic and steric properties. With a molecular weight of 158.15 g/mol, it is a clear to pale-yellow liquid at room temperature, ideal for advanced synthetic applications. This compound is rigorously tested via GC, NMR, and HPLC to ensure ≥98% purity, making it suitable for pharmaceutical intermediates, agrochemical synthesis, and materials science research. Packaged under inert gas in amber glass bottles to ensure stability.

Properties

• CAS Number: 946078-87-1
• Complexity: 109
• IUPAC Name: 2-ethoxy-1,3-difluoro-benzene
• InChI: InChI=1S/C8H8F2O/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5H,2H2,1H3
• InChI Key: FWGGXGUIXTZGJT-UHFFFAOYSA-N
• Exact Mass: 158.05432120
• Molecular Formula: C8H8F2O
• Molecular Weight: 158.14
• SMILES: CCOC1=C(C=CC=C1F)F
• Topological: 9.2
• Monoisotopic Mass: 158.05432120
• Synonyms: 2-ethoxy-1,3-difluorobenzene, 946078-87-1, 2,6-Difluorophenyl ethyl ether, 2,6-Difluorophenetole, 1,3-Difluoro-2-Ethoxybenzene, 2,6-Difluorophenyl Ethyl Ether, MFCD09998182, SCHEMBL455275, SCHEMBL976594, SCHEMBL1547619, SCHEMBL1547886, SCHEMBL1547887, DTXSID40591821, SBB087281, AKOS016005410, DS-18339, DB-364426, CS-0151490

Application

2-Ethoxy-1,3-difluorobenzene serves as a versatile building block in organic synthesis, particularly in the preparation of fluorinated pharmaceuticals and agrochemicals. Its electron-withdrawing fluorine atoms enhance reactivity in cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig aminations. Researchers also utilize it as a precursor for liquid crystal materials and advanced polymers due to its rigid aromatic core and fluorine-induced polarity. In medicinal chemistry, it is employed to modulate the lipophilicity and metabolic stability of drug candidates.

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