CAS 91393-56-5

4-Chloro-α-2-propen-1-ylbenzenepropanoic acid

Description:

4-Chloro-α-2-propen-1-ylbenzenepropanoic acid, also known by its CAS number 91393-56-5, is an organic compound characterized by its unique structure, which includes a chlorinated aromatic ring and a propanoic acid functional group. This compound typically exhibits properties associated with both aromatic and aliphatic compounds, such as moderate solubility in organic solvents and potential reactivity due to the presence of the carboxylic acid group. The chlorinated benzene moiety may impart specific biological activity or influence the compound's interaction with other substances. Its structure suggests potential applications in pharmaceuticals or agrochemicals, where such compounds are often utilized for their herbicidal or growth-regulating properties. Additionally, the presence of the double bond in the propenyl group may allow for further chemical modifications or polymerization reactions. Safety and handling considerations should be taken into account, as with many chlorinated compounds, due to potential toxicity or environmental impact.

Formula: C₁₂H₁₃ClO₂

InChI: InChI=1S/C12H13ClO2/c1-2-3-10(12(14)15)8-9-4-6-11(13)7-5-9/h2,4-7,10H,1,3,8H2,(H,14,15)

InChI key: InChIKey=AYKCRVGFKUDDDJ-UHFFFAOYSA-N

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

Synonyms:

• 4-Chloro-α-2-propen-1-ylbenzenepropanoic acid
• Hydrocinnamic acid, α-allyl-p-chloro-
• 2-(4-Chloro-benzyl)-pent-4-enoic acid
• Benzenepropanoic acid, 4-chloro-α-2-propen-1-yl-
• 2-[(4-Chlorophenyl)methyl]pent-4-enoic acid