CAS 730964-56-4

1,4-Difluoro-2-(isocyanomethyl)benzene

Description:

1,4-Difluoro-2-(isocyanomethyl)benzene is an organic compound characterized by the presence of two fluorine atoms and an isocyanomethyl group attached to a benzene ring. The compound features a difluorobenzene structure, where the fluorine substituents are positioned at the 1 and 4 positions of the aromatic ring, contributing to its unique electronic properties and reactivity. The isocyanomethyl group, which contains a -N=C=O functional group, adds to the compound's potential for further chemical reactions, particularly in nucleophilic addition or substitution processes. This compound may exhibit interesting physical properties, such as solubility in organic solvents and varying melting and boiling points, influenced by the presence of the fluorine atoms and the isocyanomethyl group. Additionally, due to the presence of fluorine, it may demonstrate enhanced stability and lipophilicity compared to its non-fluorinated counterparts. Its applications could span across pharmaceuticals, agrochemicals, or materials science, depending on its reactivity and functionalization potential.

Formula: C₈H₅F₂N

InChI: InChI=1S/C8H5F2N/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4H,5H2

InChI key: InChIKey=RPTHQOZJWGPSOZ-UHFFFAOYSA-N

SMILES: C([N+]#[C-])C1=C(F)C=CC(F)=C1

Synonyms:

• Benzene, 1,4-difluoro-2-(isocyanomethyl)-
• 1,4-Difluoro-2-(isocyanomethyl)benzene