1610758-11-6

Basic information

• Product Name: isonicotinamidium 3-carboxy-4-hydroxybenzenesulfonate monohydrate
• Synonyms: isonicotinamidium 3-carboxy-4-hydroxybenzenesulfonate monohydrate
• CAS NO: 1610758-11-6
• Molecular Weight: 358.329
• Mol File: 1610758-11-6.mol

Chemical Properties

• CAS DataBase Reference: isonicotinamidium 3-carboxy-4-hydroxybenzenesulfonate monohydrate(CAS DataBase Reference)
• NIST Chemistry Reference: isonicotinamidium 3-carboxy-4-hydroxybenzenesulfonate monohydrate(1610758-11-6)
• EPA Substance Registry System: isonicotinamidium 3-carboxy-4-hydroxybenzenesulfonate monohydrate(1610758-11-6)

Safety Data

• Hazardous Substances Data: 1610758-11-6(Hazardous Substances Data)

Upstream product

• 160601-84-3 2-carbamoylpyridine-4-carboxylic acid 
• 97-05-2 5-sulfosalicylic Acid 

Relevant articles and documents

Search for molecular crystals with NLO properties: 5-Sulfosalicylic acid with nicotinamide and isonicotinamide

Two proton transfer hydrogen-bonded complexes of 5-sulfosalicylic acid (3-carboxy-4-hydroxybenzenesulfonic acid, 5-SSA) with the aromatic amides: nicotinamide (NA) and isonicotinamide (INA), are characterized by X-ray diffraction and spectroscopic studies. In the crystal structures of nicotinamidium 3-carboxy-4-hydroxybenzenesulfonate, 1, and isonicotinamidium 3-carboxy-4-hydroxybenzenesulfonate monohydrate, 2, the ions are linked into three dimensional frameworks by a combination of O-H?O, N-H?O and C-H?O hydrogen bonds and cation-anion π-π stacking interactions. The hydrogen-bonding behavior of the pyridine N atom is different in the two crystals, bonding to a sulfonate O atom of anion in 2 but to a carbonyl O atom of cation in 1. The complex 1 shows relatively efficient second harmonic frequency generation.