CAS 730971-46-7

Benzene, 1-fluoro-2-isocyano-4-nitro-

Description:

Benzene, 1-fluoro-2-isocyano-4-nitro- is an organic compound characterized by the presence of a benzene ring substituted with a fluorine atom, an isocyanate group, and a nitro group. The molecular structure features a highly stable aromatic system, which contributes to its unique chemical properties. The presence of the nitro group typically enhances the compound's reactivity, making it a potential candidate for further chemical transformations. The isocyanate functional group is known for its ability to react with nucleophiles, which can lead to the formation of various derivatives. Additionally, the fluorine atom can influence the compound's polarity and solubility, affecting its interactions in different chemical environments. This compound may be of interest in various fields, including materials science and medicinal chemistry, due to its potential applications in synthesizing more complex molecules. However, safety considerations are essential, as both nitro and isocyanate groups can pose health hazards. Proper handling and disposal protocols should be followed when working with this substance.

Formula: C₇H₃FN₂O₂

InChI: InChI=1S/C7H3FN2O2/c1-9-7-4-5(10(11)12)2-3-6(7)8/h2-4H

InChI key: InChIKey=FPYPFGZEEDPOIP-UHFFFAOYSA-N

SMILES: [N+](#[C-])C1=CC(N(=O)=O)=CC=C1F

Synonyms:

• Benzene, 1-fluoro-2-isocyano-4-nitro-
• 1-Fluoro-2-isocyano-4-nitrobenzene