4803-09-2

Basic information

• Product Name: 1,3,5-Tri(1-naphtyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
• Synonyms: 1,3,5-Tri(1-naphthalenyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione;1,3,5-Tri(1-naphtyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione;1,3,5-Tris(1-naphtyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
• CAS NO: 4803-09-2
• Molecular Formula: C33H21N3O3
• Molecular Weight: 507.5381
• Mol File: 4803-09-2.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 729°Cat760mmHg
• Flash Point: 329.3°C
• Appearance: /
• Density: 1.394g/cm³
• Vapor Pressure: 4.18E-21mmHg at 25°C
• Refractive Index: 1.773
• CAS DataBase Reference: 1,3,5-Tri(1-naphtyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-Tri(1-naphtyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(4803-09-2)
• EPA Substance Registry System: 1,3,5-Tri(1-naphtyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(4803-09-2)

Safety Data

• Hazardous Substances Data: 4803-09-2(Hazardous Substances Data)

Usage

Structure

A trione-based derivative of 1,3,5-triazine with three 1-naphthyl groups attached to a central triazine ring

Applications

a. Fluorescent whitening agent in plastics, fibers, and coatings
b. Potential photosensitizer in organic solar cells
c. Fluorescent probe for the detection of metal ions

Environmental and health concerns

Use may be regulated due to potential risks associated with production and application

Fluorescent

Emits light when exposed to ultraviolet (UV) radiation

Stability

Relatively stable under normal conditions

Solubility

Soluble in organic solvents, such as acetone and ethanol

Appearance

Yellow to orange crystalline solid

Melting point

High melting point, typically above 300°C

Density

High density, approximately 1.3-1.4 g/cm3

Safety measures

Handle with care, use protective equipment, and follow proper disposal procedures to minimize environmental and health risks

InChI:InChI=1/C33H21N3O3/c37-31-34(28-19-7-13-22-10-1-4-16-25(22)28)32(38)36(30-21-9-15-24-12-3-6-18-27(24)30)33(39)35(31)29-20-8-14-23-11-2-5-17-26(23)29/h1-21H

Upstream product

• 86-84-0 1-Naphthyl isocyanate 

Relevant articles and documents

Spectroscopic Characterization of 1-Naphthyl Isocyanate Anion Radical and of Tris(1-naphthyl) Isocyanurate Atropisomers

Room-temperature potassium metal reduction of 1-naphthyl isocyanate in THF results in a rapid cyclotrimerization (initiated by the 1-naphthyl isocyanate anion radical) that generates two diastereoisomers (atropisomers) of tris(1-naphthyl) isocyanurate. The formation of the syn and anti diastereoisomers was monitored by 1H and 13C NMR spectroscopy. Upon completion of the cyclotrimerization, the two diastereoisomers were isolated, and their configuration was assigned by NMR spectroscopy. Both compounds crystallize in the monoclinic C2/c space group, and single-crystal X-ray diffraction analyses confirm the structures of both isomeric forms. The results from this study prove that alkali metal reduction of isocyanates is a convenient and rapid method for generating isocyanurate compounds even when a sterically bulky substituent is attached to the NCO moiety.

Potassium complexes containing bidentate pyrrole ligands: Synthesis, structures, and catalytic activity for the cyclotrimerization of isocyanates

Bidentate pyrrolyl ligands, 2-(t-butyliminomethyl)pyrrole and 2-(t-butylaminomethyl)pyrrole, reacted with KH to give complexes [C4H3N(2-CHNtBu)K(THF)]n (1) and [C4H3N(2-CH2NHsup

Organocatalytic, rapid and facile cyclotrimerization of isocyanates using tetrabutylammonium phthalimide-N-oxyl and tetraethylammonium 2-(carbamoyl)benzoate under solvent-free conditions

Tetrabutylammonium phthalimide-N-oxyl and tetraethylammonium 2-(carbamoyl)benzoate were found to be effective and easily accessible organocatalysts for selective cylotrimerization of aryl and alkyl isocyanates under mild reaction conditions. The reaction proceeds smoothly using very low catalyst loadings of these metal-free organocatalysts (0.025 and 0.25 mol%, respectively) under solvent-free conditions at room temperature within a very short reaction time.