CAS 870540-56-0

3-Chloro-4-nitrobenzo[b]thiophene-2-carboxylic acid

Description:

3-Chloro-4-nitrobenzo[b]thiophene-2-carboxylic acid is a heterocyclic organic compound characterized by its unique structure, which includes a thiophene ring fused to a benzene ring, along with a carboxylic acid functional group and substituents such as a chlorine atom and a nitro group. This compound typically exhibits a solid state at room temperature and is likely to be sparingly soluble in water, while being more soluble in organic solvents. The presence of the nitro group contributes to its potential as an electrophile in chemical reactions, while the carboxylic acid group can participate in acid-base chemistry. The chlorine substituent can influence the compound's reactivity and polarity. Due to its structural features, this compound may have applications in pharmaceuticals, agrochemicals, or materials science. Its specific reactivity and interactions would depend on the conditions and the presence of other reactants. Safety data should be consulted for handling, as compounds with nitro and chloro groups can pose health and environmental risks.

Formula: C₉H₄ClNO₄S

InChI: InChI=1S/C9H4ClNO4S/c10-7-6-4(11(14)15)2-1-3-5(6)16-8(7)9(12)13/h1-3H,(H,12,13)

InChI key: InChIKey=HWDYXYIEQLQSAN-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C2C(SC(C(O)=O)=C2Cl)=CC=C1

Synonyms:

• Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-nitro-
• 3-Chloro-4-nitrobenzo[b]thiophene-2-carboxylic acid

3-Chloro-4-nitro-1-benzothiophene-2-carboxylic acid

CAS: 870540-56-0

Versatile small molecule scaffold

Formula: C₉H₄ClNO₄S

Purity: Min. 95%

Molecular weight: 257.65 g/mol

Ref: 3D-VJB54056