CAS 21211-19-8

Ethyl 3,6-dichlorobenzo[b]thiophene-2-carboxylate

Description:

Ethyl 3,6-dichlorobenzo[b]thiophene-2-carboxylate is an organic compound characterized by its unique structure, which includes a benzo[b]thiophene core substituted with two chlorine atoms and an ethyl ester functional group. This compound typically appears as a solid or liquid, depending on its purity and specific conditions. It is known for its potential applications in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals and agrochemicals. The presence of chlorine atoms in its structure can influence its reactivity and biological activity, making it a subject of interest in various chemical research fields. Ethyl 3,6-dichlorobenzo[b]thiophene-2-carboxylate may exhibit specific physical properties such as solubility in organic solvents and varying melting or boiling points, which are influenced by its molecular interactions. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks. Overall, this compound represents a valuable entity in the study of functionalized thiophene derivatives.

Formula: C₁₁H₈Cl₂O₂S

InChI: InChI=1S/C11H8Cl2O2S/c1-2-15-11(14)10-9(13)7-4-3-6(12)5-8(7)16-10/h3-5H,2H2,1H3

InChI key: InChIKey=IIYNRDSMTYQVDX-UHFFFAOYSA-N

SMILES: ClC=1C=2C(SC1C(OCC)=O)=CC(Cl)=CC2

Synonyms:

• Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, ethyl ester
• Ethyl 3,6-dichlorobenzo[b]thiophene-2-carboxylate

Ethyl 3,6-dichloro-1-benzothiophene-2-carboxylate

CAS: 21211-19-8

Versatile small molecule scaffold

Formula: C₁₁H₈Cl₂O₂S

Purity: Min. 95%

Molecular weight: 275.1 g/mol

Ref: 3D-WAA21119