CAS 80141-92-0

1-(Chloromethyl)-4-fluoro-2-methylbenzene

Description:

1-(Chloromethyl)-4-fluoro-2-methylbenzene, also known by its CAS number 80141-92-0, is an organic compound characterized by a benzene ring substituted with a chloromethyl group, a fluorine atom, and a methyl group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its reactivity due to the presence of both the chloromethyl and fluorine substituents, which can participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. The fluorine atom contributes to the compound's lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry and material science. Additionally, the presence of the chloromethyl group can facilitate further functionalization, allowing for the synthesis of more complex molecules. Safety precautions should be taken when handling this compound, as it may pose health risks due to its reactivity and potential toxicity.

Formula: C₈H₈ClF

InChI: InChI=1S/C8H8ClF/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,5H2,1H3

InChI key: InChIKey=BQQAXQSWBZWPAQ-UHFFFAOYSA-N

SMILES: C(Cl)C1=C(C)C=C(F)C=C1

Synonyms:

• 1-(Chloromethyl)-4-fluoro-2-methylbenzene
• Benzene, 1-(chloromethyl)-4-fluoro-2-methyl-