CAS 1174233-37-4

2-Fluoro-1-isocyanato-3-methylbenzene

Description:

2-Fluoro-1-isocyanato-3-methylbenzene, also known by its CAS number 1174233-37-4, is an organic compound characterized by the presence of a fluorine atom, an isocyanate functional group, and a methyl group attached to a benzene ring. This compound features a fluorine substituent at the 2-position and an isocyanate group at the 1-position of the aromatic ring, with a methyl group at the 3-position. The presence of the isocyanate group indicates that it can participate in nucleophilic reactions, making it a valuable intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. The fluorine atom can enhance the compound's reactivity and influence its physical properties, such as solubility and boiling point. Additionally, the compound may exhibit unique electronic properties due to the electron-withdrawing nature of the isocyanate and fluorine groups, which can affect its behavior in chemical reactions. Safety precautions should be taken when handling this compound, as isocyanates are known to be toxic and can cause respiratory irritation.

Formula: C₈H₆FNO

InChI: InChI=1S/C8H6FNO/c1-6-3-2-4-7(8(6)9)10-5-11/h2-4H,1H3

InChI key: InChIKey=VZDOBVJRJIGRFX-UHFFFAOYSA-N

SMILES: N(=C=O)C1=C(F)C(C)=CC=C1

Synonyms:

• Benzene, 2-fluoro-1-isocyanato-3-methyl-
• 2-Fluoro-1-isocyanato-3-methylbenzene