CAS 860610-54-4

3-Chloro-α-(4-nitrophenyl)benzenepropanoic acid

Description:

3-Chloro-α-(4-nitrophenyl)benzenepropanoic acid, with the CAS number 860610-54-4, is an organic compound characterized by its aromatic structure and functional groups. It features a propanoic acid moiety, which contributes to its acidity, and a chloro substituent that enhances its reactivity. The presence of a nitrophenyl group indicates potential applications in various chemical reactions, particularly in the synthesis of more complex molecules. This compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to its hydrophobic aromatic rings. Its chemical properties may include the ability to participate in electrophilic aromatic substitution reactions, as well as potential interactions with biological systems, making it of interest in medicinal chemistry. Safety data should be consulted for handling, as the presence of chlorine and nitro groups can imply toxicity or environmental hazards. Overall, this compound's unique structure positions it as a valuable intermediate in organic synthesis and pharmaceutical development.

Formula: C₁₅H₁₂ClNO₄

InChI: InChI=1S/C15H12ClNO4/c16-12-3-1-2-10(8-12)9-14(15(18)19)11-4-6-13(7-5-11)17(20)21/h1-8,14H,9H2,(H,18,19)

InChI key: InChIKey=ALPNDDLVTGIILM-UHFFFAOYSA-N

SMILES: C(CC1=CC(Cl)=CC=C1)(C(O)=O)C2=CC=C(N(=O)=O)C=C2

Synonyms:

• 3-Chloro-α-(4-nitrophenyl)benzenepropanoic acid
• Benzenepropanoic acid, 3-chloro-α-(4-nitrophenyl)-