CAS 53653-66-0: 3-Acetyl-6-chlorocoumarin

Description: 3-Acetyl-6-chlorocoumarin is a synthetic organic compound belonging to the coumarin family, characterized by its fused benzene and α-pyrone rings. It features an acetyl group at the 3-position and a chlorine atom at the 6-position of the coumarin structure, which contributes to its unique chemical properties. This compound typically appears as a yellow to light brown crystalline solid and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water. 3-Acetyl-6-chlorocoumarin exhibits fluorescence, making it useful in various applications, including as a fluorescent probe in biochemical assays. Additionally, it has been studied for its potential biological activities, including antimicrobial and anticancer properties. The presence of the acetyl and chlorine substituents can influence its reactivity and interaction with biological targets, making it a compound of interest in medicinal chemistry and drug development. Proper handling and safety precautions are essential due to its chemical nature and potential toxicity.

Formula: C₁₁H₇ClO₃

InChI: InChI=1S/C11H7ClO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3

InChI key: InChIKey=VYMAEQZQRVDKQZ-UHFFFAOYSA-N

SMILES: O=C1OC=2C=CC(Cl)=CC2C=C1C(=O)C

Synonyms:

• 2H-1-Benzopyran-2-one, 3-acetyl-6-chloro-
• 3-Acetyl-6-chloro-2H-1-benzopyran-2-one
• 3-Acetyl-6-chloro-chromen-2-one
• 3-Acetyl-6-chlorochromen-2-one
• 3-Acetyl-6-chlorocoumarin
• NSC 73187

3-Acetyl-6-chlorocoumarin

CAS: 53653-66-0

• Molecular weight: 222.62g/mol

3-Acetyl-6-chloro-2H-chromen-2-one

CAS: 53653-66-0

• Molecular weight: 222.6199951171875

3-Acetyl-6-chloro-chromen-2-one

CAS: 53653-66-0

Versatile small molecule scaffold

• Formula: C₁₁H₇ClO₃
• Purity: Min. 95%
• Molecular weight: 222.62 g/mol