1293927-97-5

Basic information

• Product Name: benzamidinidium 5-nitro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide
• CAS NO: 1293927-97-5
• Molecular Weight: 277.239
• Mol File: 1293927-97-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: benzamidinidium 5-nitro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide(CAS DataBase Reference)
• NIST Chemistry Reference: benzamidinidium 5-nitro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide(1293927-97-5)
• EPA Substance Registry System: benzamidinidium 5-nitro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide(1293927-97-5)

Safety Data

• Hazardous Substances Data: 1293927-97-5(Hazardous Substances Data)

Upstream product

• 611-08-5 5-nitrobarbituric acid 
• 618-39-3 benzamidin 

Relevant articles and documents

Supra-molecular association in proton-transfer adducts containing benz-amidinium cations. I. Four mol-ecular salts with uracil derivatives

Four organic salts, namely benzamidinidium orotate (2,6-di-oxo-1,2,3,6- tetra-hydro-pyrimidine-4-carboxyl-ate) hemi-hydrate, C7H 9N2+·C5H3N 2O4-·0.5H2O (BenzamH +·Or-), (I), benzamidinium isoorotate (2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate) trihydrate, C 7H9N2+·C5H 3N2O4-·3H2O (BenzamH+·Isor-), (II), benzamidinium diliturate (5-nitro-2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-4-olate) di-hydrate, C 7H9N2+·C4H 2N3O5-·2H2O (BenzamH+·Dil-), (III), and benzamidinium 5-nitro-uracilate (5-nitro-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-ide), C7H9N2+·C4H 2N3O4- (BenzamH+· Nit-), (IV), have been synthesized by a reaction between benzamidine (benzene-carboximidamide or Benzam) and the appropriate carboxylic acid. Proton transfer occurs to the benzamidine imino N atom. In all four acid-base adducts, the asymmetric unit consists of one tautomeric amino-oxo anion (Or-, Isor-, Dil- and Nit-) and one monoprotonated benzamidinium cation (BenzamH+), plus one-half (which lies across a twofold axis), three and two solvent water mol-ecules in (I), (II) and (III), respectively. Due to the presence of protonated benzamidine, these acid-base complexes form supra-molecular synthons characterized by N+- H...O- and N+-H...N- (±)-charge-assisted hydrogen bonds (CAHB).