CAS 2591-26-6

6-Chloro-1,3-benzodioxole-5-carboxylic acid

Description:

6-Chloro-1,3-benzodioxole-5-carboxylic acid is an organic compound characterized by its unique structure, which includes a benzodioxole moiety and a carboxylic acid functional group. This compound features a chlorine atom at the 6-position of the benzodioxole ring, contributing to its reactivity and potential applications in various chemical reactions. The presence of the carboxylic acid group enhances its solubility in polar solvents and allows for participation in acid-base reactions. Typically, compounds like this may exhibit biological activity, making them of interest in pharmaceutical research. The molecular structure suggests that it may engage in hydrogen bonding due to the carboxylic acid, influencing its physical properties such as melting point and boiling point. Additionally, the chlorine substituent can affect the compound's electronic properties, potentially impacting its reactivity and interactions with other molecules. Overall, 6-Chloro-1,3-benzodioxole-5-carboxylic acid is a versatile compound with potential applications in organic synthesis and medicinal chemistry.

Formula: C₈H₅ClO₄

InChI: InChI=1S/C8H5ClO4/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3H2,(H,10,11)

InChI key: InChIKey=NDFQRSMGWGHELT-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C=C2C(=CC1Cl)OCO2

Synonyms:

• 2-Chloro-4,5-methylenedioxybenzoic acid
• Piperonylic acid, 6-chloro-
• 6-Chloro-1,3-benzodioxole-5-carboxylic acid
• 1,3-Benzodioxole-5-carboxylic acid, 6-chloro-

6-Chloro-1,3-dioxaindane-5-carboxylic acid

CAS: 2591-26-6

Versatile small molecule scaffold

Formula: C₈H₅ClO₄

Purity: Min. 95%

Molecular weight: 200.57 g/mol

Ref: 3D-CAA59126