CAS 951892-21-0

1-(2-Chloro-2-propen-1-yl)-3,5-dimethylbenzene

Description:

1-(2-Chloro-2-propen-1-yl)-3,5-dimethylbenzene, also known by its CAS number 951892-21-0, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with both a chloropropene group and two methyl groups. The presence of the chloropropene moiety introduces reactivity, particularly in nucleophilic substitution reactions, while the methyl groups contribute to the compound's hydrophobic nature and influence its physical properties. This compound is likely to be a colorless to pale yellow liquid at room temperature, exhibiting a characteristic aromatic odor. Its solubility in organic solvents is expected to be high, while solubility in water is limited due to its hydrophobic characteristics. The compound may be used in various applications, including as an intermediate in organic synthesis or in the production of specialty chemicals. Safety data should be consulted for handling and storage, as the presence of chlorine and unsaturation may pose health and environmental risks.

Formula: C₁₁H₁₃Cl

InChI: InChI=1S/C11H13Cl/c1-8-4-9(2)6-11(5-8)7-10(3)12/h4-6H,3,7H2,1-2H3

InChI key: InChIKey=AKIIANGJWLMYKT-UHFFFAOYSA-N

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

Synonyms:

• 1-(2-Chloro-2-propen-1-yl)-3,5-dimethylbenzene
• Benzene, 1-(2-chloro-2-propen-1-yl)-3,5-dimethyl-