Description

2,4-Difluoro-1-isocyanobenzene (CAS No. 428818-83-1) is a highly specialized aromatic isocyanide compound with the molecular formula C₇H₃F₂N. This organofluorine derivative features a reactive isocyano group (-NC) at the 1-position and fluorine substituents at the 2- and 4-positions of the benzene ring, offering unique electronic and steric properties for advanced synthetic applications. With a purity grade suitable for research and industrial use, this compound is meticulously synthesized and rigorously tested to ensure consistency in reactivity. Its structural motif is valuable in coordination chemistry, catalysis, and as a building block for pharmaceuticals, agrochemicals, and functional materials. Packaged under inert conditions to maintain stability, it is ideal for use in palladium-catalyzed cross-coupling reactions, ligand design, and as a precursor for heterocyclic frameworks. Available in scalable quantities with detailed technical data sheets (TDS) and certificates of analysis (CoA).

Properties

• CAS Number: 428818-83-1
• Complexity: 160
• IUPAC Name: 2,4-difluoro-1-isocyano-benzene
• InChI: InChI=1S/C7H3F2N/c1-10-7-3-2-5(8)4-6(7)9/h2-4H
• InChI Key: HVMAPJIREWOWSJ-UHFFFAOYSA-N
• Exact Mass: 139.02335542
• Molecular Formula: C7H3F2N
• Molecular Weight: 139.10
• SMILES: [C-]#[N+]C1=C(C=C(C=C1)F)F
• Topological: 4.4
• Monoisotopic Mass: 139.02335542
• Synonyms: 2,4-difluoro-1-isocyanobenzene, 428818-83-1, 2,4-Difluorophenyl isocyanide, 2,4-Difluorophenylisocyanide, Benzene,2,4-difluoro-1-isocyano-, SCHEMBL12136644, DTXSID80374276, BBL021260, Benzene, 2,4-difluoro-1-isocyano-, STK893966, AKOS005144177, DB-273919, EN300-1177222

Application

2,4-Difluoro-1-isocyanobenzene serves as a versatile intermediate in organic synthesis, particularly in the preparation of transition metal complexes for catalytic applications. Its electron-withdrawing fluorine substituents enhance the electrophilicity of the isocyanide group, making it useful in multicomponent reactions (MCRs) and peptide modifications. Researchers employ this compound in medicinal chemistry to develop fluorinated bioactive molecules or as a ligand in asymmetric catalysis. It is also explored in materials science for constructing fluorinated polymers with tailored properties.

If you are interested or have any questions, please contact us at support@atomfair.com

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