CAS 874817-82-0

1,3-Benzenedicarboxylic acid, compd. with 4-methylpyridine (1:2)

Description:

1,3-Benzenedicarboxylic acid, compd. with 4-methylpyridine (1:2), also known as a complex of isophthalic acid and 4-methylpyridine, is a chemical compound characterized by its dual functionality. The presence of the benzenedicarboxylic acid moiety contributes to its acidity and potential for forming hydrogen bonds, while the 4-methylpyridine component introduces basicity and enhances solubility in polar solvents. This compound typically exhibits a crystalline structure and may display distinct thermal and spectroscopic properties due to the interactions between the acid and the pyridine base. It is often utilized in organic synthesis and materials science, particularly in the development of coordination polymers and metal-organic frameworks. The combination of these two components can lead to unique reactivity and stability profiles, making it of interest in various chemical applications. Safety data should be consulted, as the compound may pose health risks if not handled properly, particularly due to the acidic nature of the benzenedicarboxylic acid.

Formula: C₈H₆O₄C₆H₇N

InChI: InChI=1S/C8H6O4.2C6H7N/c9-7(10)5-2-1-3-6(4-5)8(11)12;2*1-6-2-4-7-5-3-6/h1-4H,(H,9,10)(H,11,12);2*2-5H,1H3

InChI key: HHIPTRURBBXXNM-UHFFFAOYSA-N

SMILES: CC1=CC=NC=C1.CC1=CC=NC=C1.C1=CC(=CC(=C1)C(=O)O)C(=O)O