CAS 73688-86-5

Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-

Description:

Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-, is a chemical compound characterized by its unique structure that includes a benzoic acid moiety and a dichlorobenzodioxaborole group. This compound features a boron atom integrated into a dioxaborole ring, which contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. The presence of chlorine substituents enhances its electrophilic properties, making it useful in various chemical reactions. Benzoic acid derivatives are known for their antimicrobial properties, and this specific compound may exhibit similar biological activities. It is typically a solid at room temperature and may have moderate solubility in organic solvents. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, this compound represents a fascinating intersection of boron chemistry and aromatic organic compounds, with potential implications in pharmaceuticals and materials science.

Formula: C₁₃H₇BCl₂O₄

InChI: InChI=1S/C13H7BCl2O4/c15-9-5-11-12(6-10(9)16)20-14(19-11)8-3-1-7(2-4-8)13(17)18/h1-6H,(H,17,18)

InChI key: InChIKey=SYHNTCQAYDALOC-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=CC=C(B2OC=3C(O2)=CC(Cl)=C(Cl)C3)C=C1

Synonyms:

• 1,3,2-Benzodioxaborole, benzoic acid deriv.
• Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-

4-(5,6-Dichloro-1,3,2-benzodioxaborol-2-yl)benzoic acid

CAS: 73688-86-5

Formula: C₁₃H₇BCl₂O₄

Molecular weight: 308.9093

Ref: IN-DA00FNSX