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Atomfair 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile C16H8FNO2 CAS 763114-25-6

2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile (CAS: 763114-25-6) is a high-purity organic compound with the molecular formula C16H8FNO2. This specialized chemical features a unique fused isobenzofuranone scaffold with a fluoro-substituted benzonitrile moiety, making it a valuable intermediate for pharmaceutical research, materials science, and advanced organic synthesis. With a molecular weight of 265.24 g/mol, this compound is supplied as a fine powder or crystalline solid, characterized by rigorous QC including HPLC (>98% purity), NMR, and MS validation. Ideal for researchers exploring fluorescent probes, optoelectronic materials, or bioactive small molecules due to its conjugated π-system and electron-withdrawing groups. Storage: -20°C under inert atmosphere to ensure stability.

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Description

2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile (CAS: 763114-25-6) is a high-purity organic compound with the molecular formula C16H8FNO2. This specialized chemical features a unique fused isobenzofuranone scaffold with a fluoro-substituted benzonitrile moiety, making it a valuable intermediate for pharmaceutical research, materials science, and advanced organic synthesis. With a molecular weight of 265.24 g/mol, this compound is supplied as a fine powder or crystalline solid, characterized by rigorous QC including HPLC (>98% purity), NMR, and MS validation. Ideal for researchers exploring fluorescent probes, optoelectronic materials, or bioactive small molecules due to its conjugated π-system and electron-withdrawing groups. Storage: -20°C under inert atmosphere to ensure stability.

Properties

  • CAS Number: 763114-25-6
  • Complexity: 478
  • IUPAC Name: 2-fluoro-5-[(3-oxoisobenzofuran-1-ylidene)methyl]benzonitrile
  • InChI: InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H
  • InChI Key: MMPHWTMMVPBHRZ-UHFFFAOYSA-N
  • Exact Mass: 265.05390666
  • Molecular Formula: C16H8FNO2
  • Molecular Weight: 265.24
  • SMILES: C1=CC=C2C(=C1)C(=CC3=CC(=C(C=C3)F)C#N)OC2=O
  • Topological: 50.1
  • Monoisotopic Mass: 265.05390666
  • Synonyms: 763114-25-6, 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile, 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-benzonitrile, 2-Fluoro-5-[[3-oxoisobenzofuran-1(3H)-ylidene]methyl]benzonitrile, 2-Fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]benzonitrile, SCHEMBL1689359, MMPHWTMMVPBHRZ-UHFFFAOYSA-N, BCP12314, AC8645, Benzonitrile, 2-fluoro-5-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-, MFCD27937555, AKOS028114467, SY047476, DB-083064, 3-(3-cyano-4-fluorobenzylidene)isobenzofuran-1(3H)-one, 2-fluoro-5-(3-oxo-3H-isobenzofuran-1 -ylidenemethyl)benzonitrile, 2-Fluoro-5-(3-oxo-3H-isobenzofuran-1-ylidenemethyl)-benzonitrile, 2-fluoro-5-(3-oxo-3H-isobenzofuran-1-ylidenemethyl)benzonitrile

This compound serves as a key synthon in the development of organic semiconductors and photoresponsive materials due to its extended conjugation. Researchers utilize it in the synthesis of novel heterocyclic frameworks for drug discovery, particularly in kinase inhibitor scaffolds. Its fluorinated benzonitrile moiety also makes it a candidate for PET radioligand precursor development.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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