CAS 951888-89-4

1-(2-Bromo-2-propen-1-yl)-3-fluoro-5-methylbenzene

Description:

1-(2-Bromo-2-propen-1-yl)-3-fluoro-5-methylbenzene, also known by its CAS number 951888-89-4, is an organic compound characterized by its unique structure that includes a bromopropene group and a fluorinated aromatic ring. This compound features a benzene ring substituted at the 3-position with a fluorine atom and at the 5-position with a methyl group, while the 1-position is occupied by a 2-bromo-2-propenyl group. The presence of both bromine and fluorine atoms introduces significant reactivity and polarity, making it useful in various chemical applications, including synthesis and material science. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, and as an intermediate in organic synthesis. The compound's physical properties, such as boiling point, melting point, and solubility, would be influenced by the substituents on the benzene ring and the overall molecular geometry. Safety and handling precautions are essential due to the presence of halogenated groups, which can pose environmental and health risks.

Formula: C₁₀H₁₀BrF

InChI: InChI=1S/C10H10BrF/c1-7-3-9(5-8(2)11)6-10(12)4-7/h3-4,6H,2,5H2,1H3

InChI key: InChIKey=JVHZGZAXAHMEKE-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 1-(2-bromo-2-propen-1-yl)-3-fluoro-5-methyl-
• 1-(2-Bromo-2-propen-1-yl)-3-fluoro-5-methylbenzene