URAZOLE

The 1, 2, 4-Triazolidine-3, 5-dione, with the CAS registry number of 3232-84-6, is also known as Urazole. It belongs to the product categories of Heterocyclic Building Blocks; N-Containing; Others. Its EINECS registry number is 221-776-9. This chemical's molecular formula is C₂H₃N₃O₂ and molecular weight is 101.06. What's more, its IUPAC name is 1, 2, 4-Triazolidine-3, 5-dione. In addition, it must be stored in airtight containers and placed in a dry, place at 0-6 °C. During using 1, 2, 4-Triazolidine-3, 5-dione, you should avoid contacting with skin and eyes.

Physical properties about 1, 2, 4-Triazolidine-3, 5-dione are: (1)ACD/LogP: -1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -2.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.65; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.86 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 19.52 cm³; (15)Molar Volume: 69.8 cm³; (16)Surface Tension: 39.9 dyne/cm; (17)Density: 1.447 g/cm³.

Preparation: this chemical is prepared by Carbonisocyanatidic acid ethyl ester by heating. This reaction needs reagents N₂H₄•HCl and SiCl₄. Meanwhile, it needs solvent Bis-(2-methoxy-ethyl) ether. The reaction time is 20 hours. The yield is about 75.5 %.

Uses: 1.) it can be used as film latent-image stabilizers for color, geological, aerial film; 2.) it is used to produce other chemicals. For example, it is used to produce 1, 2, 4-Trimethyl-[1, 2, 4]triazolidine-3, 5-dione at ambient temperature. The reaction needs reagent KOH and solvent H₂O. The reaction time is 12 hours. The yield is about 86.2 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NNC(=O)N1
(2) InChI: InChI=1/C2H3N3O2/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7)
(3) InChIKey: UDATXMIGEVPXTR-UHFFFAOYAJ