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| | 1,2-Dihydro-3H-1,2,4-triazol-3-one Basic information |
| Product Name: | 1,2-Dihydro-3H-1,2,4-triazol-3-one | | Synonyms: | 1,2,4-Triazole-3-ol;1,2-dihydro-3h-1,2,4-triazol-3-one;1,2-DIHYDRO-3H-1,2,4-TRIAZOLE-3-ONE;1,2-Dihydro-3H-1,2,4-triazole-;1,2,4-TRIAZOL-3-ONE (SEE 5130);2,4-Dihydro-1,2,4-triazol-3-one;s-Triazol-3-ol;Δ2-1,2,4-Triazolin-5-one | | CAS: | 930-33-6 | | MF: | C2H3N3O | | MW: | 85.06 | | EINECS: | 213-214-6 | | Product Categories: | | | Mol File: | 930-33-6.mol |  |
| | 1,2-Dihydro-3H-1,2,4-triazol-3-one Chemical Properties |
| Melting point | 234-235 °C | | Boiling point | 270℃[at 101 325 Pa] | | density | 1.81±0.1 g/cm3(Predicted) | | vapor pressure | 0.003Pa at 25℃ | | storage temp. | Inert atmosphere,Room Temperature | | solubility | DMSO (Sparingly), Methanol (Slightly, Sonicated) | | form | crystals | | pka | 8.81±0.20(Predicted) | | color | White | | Water Solubility | 76g/L at 20℃ | | InChI | InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6) | | InChIKey | LZTSCEYDCZBRCJ-UHFFFAOYSA-N | | SMILES | N1C=NC(=O)N1 | | LogP | 0 at 35℃ | | NIST Chemistry Reference | 3H-1,2,4-Triazol-3-one, 1,2-dihydro-(930-33-6) | | EPA Substance Registry System | 3H-1,2,4-Triazol-3-one, 1,2-dihydro- (930-33-6) |
| TSCA | TSCA listed | | HS Code | 2933998090 |
| | 1,2-Dihydro-3H-1,2,4-triazol-3-one Usage And Synthesis |
| Chemical Properties | white solid | | Flammability and Explosibility | Not classified | | Synthesis | Example 2 Synthesis of 1,2,4-triazolin-5-one: A mixture of aminourea hydrochloride (10.0 g, 89.6 mmol), trimethyl orthoformate (28.5 g, 269 mmol), and methanol (100 mL) was stirred for 2 hours at room temperature. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure. Subsequently, toluene (100 mL) was added to the concentrate and the mixture was cooled to 0°C. The precipitate was collected by filtration to afford 1,2-dihydro-3H-1,2,4-triazol-3-one (7.26 g, 100% yield) as a white solid. The structure of the product was confirmed by 1H NMR (d6-DMSO) and 13C NMR (d6-DMSO): 1H NMR δ= 7.66 (1H, s, CH), 11.24 (1H, s, NH) and 11.35 (1H, s, NH); and 13C NMR δ= 137.0 (CH2C=N) and 156.6 (NHCONH). | | References | [1] Patent: US2003/187274, 2003, A1 |
| | 1,2-Dihydro-3H-1,2,4-triazol-3-one Preparation Products And Raw materials |
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