CAS 951890-70-3

1-(2-Chloro-2-propen-1-yl)-4-(1,1-dimethylethyl)benzene

Description:

1-(2-Chloro-2-propen-1-yl)-4-(1,1-dimethylethyl)benzene, also known by its CAS number 951890-70-3, is an organic compound characterized by its aromatic structure, featuring a benzene ring substituted with both a chloropropenyl group and a tert-butyl group. The presence of the chloropropenyl moiety introduces reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and polymerization processes. The tert-butyl group contributes to the compound's hydrophobicity and steric bulk, influencing its physical properties such as boiling point and solubility. This compound may exhibit unique chemical behavior due to the combination of its substituents, which can affect its reactivity and interactions with other molecules. Additionally, the chlorinated component may impart specific biological activities or environmental considerations, making it relevant in fields such as agrochemicals or materials science. Overall, the compound's structure suggests potential utility in synthetic organic chemistry and industrial applications.

Formula: C₁₃H₁₇Cl

InChI: InChI=1S/C13H17Cl/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,1,9H2,2-4H3

InChI key: InChIKey=MBZLJDYCOFFKQW-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 1-(2-chloro-2-propen-1-yl)-4-(1,1-dimethylethyl)-
• 1-(2-Chloro-2-propen-1-yl)-4-(1,1-dimethylethyl)benzene