CAS 956386-39-3

2-Ethynyl-1-fluoro-4-methylbenzene

Description:

2-Ethynyl-1-fluoro-4-methylbenzene, also known by its CAS number 956386-39-3, is an organic compound characterized by the presence of a fluorine atom, an ethynyl group, and a methyl substituent on a benzene ring. This compound features a phenyl ring with a triple bond (ethynyl) at the second position and a fluorine atom at the first position, while a methyl group is located at the para position (fourth position) relative to the fluorine. The presence of the ethynyl group contributes to its reactivity, making it useful in various synthetic applications, particularly in organic synthesis and materials science. The fluorine atom can influence the compound's electronic properties, potentially enhancing its stability and reactivity in certain chemical reactions. Additionally, the compound's structure suggests it may exhibit unique physical properties, such as solubility and boiling point, influenced by the functional groups present. Overall, 2-Ethynyl-1-fluoro-4-methylbenzene is a valuable compound in the field of organic chemistry, with potential applications in pharmaceuticals and agrochemicals.

Formula: C₉H₇F

InChI: InChI=1S/C9H7F/c1-3-8-6-7(2)4-5-9(8)10/h1,4-6H,2H3

InChI key: InChIKey=VVXRWANXZQDFKY-UHFFFAOYSA-N

SMILES: C(#C)C1=C(F)C=CC(C)=C1

Synonyms:

• 2-Ethynyl-1-fluoro-4-methylbenzene
• Benzene, 2-ethynyl-1-fluoro-4-methyl-
• 2-Fluoro-5-methylphenylacetylene