CAS 17831-88-8

4-chloro-2H-1-benzopyran-2-one

Description:

4-Chloro-2H-1-benzopyran-2-one, also known as coumarin derivative, is a chemical compound characterized by its benzopyran structure, which consists of a fused benzene and pyran ring. The presence of a chlorine atom at the 4-position of the benzopyran ring contributes to its unique reactivity and properties. This compound typically exhibits a pale yellow to white crystalline appearance and is soluble in organic solvents such as ethanol and acetone, but has limited solubility in water. It is known for its potential applications in pharmaceuticals, agrochemicals, and as a fluorescent probe due to its ability to absorb and emit light. Additionally, compounds of this class may exhibit biological activities, including antimicrobial and anti-inflammatory properties. Safety data indicates that, like many chlorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Overall, 4-chloro-2H-1-benzopyran-2-one represents an interesting subject for further research in various fields of chemistry and biochemistry.

Formula: C₉H₅ClO₂

InChI: InChI=1S/C9H5ClO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H

InChI key: InChIKey=RKEYJFRSDLEQIE-UHFFFAOYSA-N

SMILES: ClC=1C=2C(OC(=O)C1)=CC=CC2

Synonyms:

• 2H-1-Benzopyran-2-one, 4-chloro-
• 4-Chlorocoumarin
• 4-chloro-2H-chromen-2-one
• Coumarin, 4-chloro-
• NSC 74867
• 4-Chloro-2H-1-benzopyran-2-one

2H-1-Benzopyran-2-one, 4-chloro-

CAS: 17831-88-8

Formula: C₉H₅ClO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 180.5878

Ref: IN-DA0025XI

4-Chloro-2H-chromen-2-one

CAS: 17831-88-8

4-Chloro-2H-chromen-2-one

Purity: >98%

Color and Shape: Solid

Molecular weight: 180.59g/mol

Ref: 54-OR510019

4-Chloro-2H-chromen-2-one

CAS: 17831-88-8

Purity: 97%

Molecular weight: 180.5899963

Ref: 10-F612003

4-Chloro-2H-chromen-2-one

CAS: 17831-88-8

4-Chloro-2H-chromen-2-one is an organic compound that is used as a building block in the synthesis of coumarin derivatives. It undergoes nucleophilic substitution reactions with amines, forming 4-hydroxycoumarin. This reaction is catalyzed by organometallic compounds such as PdCl2 and Cu(OAc)2. Cross-coupling reactions have been shown to be effective for the synthesis of coumarin derivatives. The mechanism of this reaction involves oxidative addition of an organometallic reagent to the carbon atom, followed by elimination of water to form an intermediate epoxide. Deuteration is required for this reaction because hydrogen reacts too rapidly with the organometallic reagents to be useful in the coupling process. 4-Chloro-2H-chromen-2-one has been shown to react with other nucleophiles such as thiols, phenols, and alcohols at

Formula: C₉H₅ClO₂

Purity: Min. 95%

Molecular weight: 180.59 g/mol

Ref: 3D-SAA83188