CAS 951891-96-6

2-(2-Bromo-2-propen-1-yl)-1,3-dimethylbenzene

Description:

2-(2-Bromo-2-propen-1-yl)-1,3-dimethylbenzene, also known by its CAS number 951891-96-6, is an organic compound characterized by the presence of a bromopropene group attached to a dimethyl-substituted benzene ring. This compound features a vinyl bromide moiety, which contributes to its reactivity, particularly in nucleophilic substitution and addition reactions. The dimethyl groups on the benzene ring influence its electronic properties, potentially enhancing its stability and affecting its reactivity. The presence of the bromine atom introduces a polar bond, which can impact solubility in various solvents. Additionally, the compound's structure suggests potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. Its physical properties, such as boiling point, melting point, and solubility, would depend on the specific molecular interactions and the overall molecular structure. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.

Formula: C₁₁H₁₃Br

InChI: InChI=1S/C11H13Br/c1-8-5-4-6-9(2)11(8)7-10(3)12/h4-6H,3,7H2,1-2H3

InChI key: InChIKey=CPKPIXXWBNLEIN-UHFFFAOYSA-N

SMILES: C(C(Br)=C)C1=C(C)C=CC=C1C

Synonyms:

• 2-(2-Bromo-2-propen-1-yl)-1,3-dimethylbenzene
• Benzene, 2-(2-bromo-2-propen-1-yl)-1,3-dimethyl-