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Cas Database |
| Name |
Potassium oxonate |
EINECS | 218-627-5 |
| CAS No. | 2207-75-2 | Density | N/A |
| PSA | 118.74000 | LogP | -3.17830 |
| Solubility | Soluble in hot water. | Melting Point |
300 °C(lit.) |
| Formula | C4H2KN3O4 | Boiling Point | N/A |
| Molecular Weight | 195.176 | Flash Point | N/A |
| Transport Information | N/A | Appearance | off-white solid |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3,5-Triazine-2-carboxylicacid, 1,4,5,6-tetrahydro-4,6-dioxo-, monopotassium salt (9CI);Allantoxanicacid, monopotassium salt (8CI);Allantoxanic acid, potassium salt (7CI);Oteracil potassium;Potassium 2,6-dihydroxytriazinecarboxylate;Potassiumazaorotate;Potassium otastat;Potassium 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylate;1,4,5,6-tetrahydro-4,6-dioxo-, monopotassium salt (9CI);Oxonic acid, potassium salt;5-Azaorotic acid, potassium salt;Potassium s-triazine-2,4-dione-6-carboxylate; |
Article Data | 5 |
Potassium oxonate Synthetic route
- 585-05-7
oxaluric acid
- 57-13-6
urea
- 2207-75-2
monopotassium 1,2,3,4-tetrahydro-2,4-dioxo-1,3,5-triazine-6-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: oxaluric acid; urea With toluene-4-sulfonic acid In ethanol at 50℃; for 6h; Stage #2: With potassium hydroxide In ethanol; water at 0℃; for 2h; pH=5.5; Temperature; Reagent/catalyst; Solvent; pH-value; | 94.64% |
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; potassium iodide; potassium hydroxide In water at 0 - 25℃; for 3h; Temperature; Reagent/catalyst; Darkness; | 91.32% |
- 105245-87-2
dehydro-allantoin
- 2207-75-2
monopotassium 1,2,3,4-tetrahydro-2,4-dioxo-1,3,5-triazine-6-carboxylate
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water for 0.333333h; | 82% |
- 64-19-7
acetic acid
- 97-59-6
Allantoin
- 2207-75-2
monopotassium 1,2,3,4-tetrahydro-2,4-dioxo-1,3,5-triazine-6-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: Allantoin With bromine; potassium iodide; potassium hydroxide In water at 0 - 25℃; for 30h; Stage #2: acetic acid In water at 0 - 5℃; pH=5; Time; | 76.1% |
| Conditions | Yield |
|---|---|
| In methanol | 80% |
| Conditions | Yield |
|---|---|
| In methanol | 78% |
Potassium oxonate Chemical Properties
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IUPAC Name: Potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
Molecular Formula: C4H2KN3O4
Molecular Weight: 195.17 g/mol
Canonical SMILES: C1(=NC(=O)NC(=O)N1)C(=O)[O-].[K+]
InChI: InChI=1S/C4H3N3O4.K/c8-2(9)1-5-3(10)7-4(11)6-1;/h(H,8,9)(H2,5,6,7,10,11);/q;+1/p-1
EINECS: 218-627-5
Classification Code: Reproductive Effect
Product Categories: Classes of Metal Compounds; K (Potassium) Compounds (excluding simple potassium salts); Typical Metal Compounds; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 194.968237
MonoIsotopic Mass: 194.968237
Topological Polar Surface Area: 111
Heavy Atom Count: 12
Complexity: 274
Melting Point of Potassium oxonate (CAS NO.2207-75-2): 300 °C(lit.)
Potassium oxonate Uses
Potassium oxonate (CAS NO.2207-75-2) can be used as antitumor effect potentiator and antitumor agent.
Potassium oxonate Toxicity Data With Reference
| 1. | par-hmn TDLo:20 mg/kg:GIT | CLPTAT Clinical Pharmacology and Therapeutics. 6 (1965),436. |
Potassium oxonate Safety Profile
Human gastrointestinal tract effects by parenteral route. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and K2O.
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
WGK Germany of Potassium oxonate (CAS NO.2207-75-2): 3
Potassium oxonate Specification
Potassium oxonate (CAS NO.2207-75-2), its Synonyms are 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo-, monopotassium salt (9CI) ; Allantoxanic acid, monopotassium salt (8CI) ; Oxonic acid, potassium salt ; Potassium 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylate ; 1,4,5,6-Tetrahydro-4,6-dioxo-s-triazine-2-carboxylic acid, potassium salt ; 5-Azaorotic acid, potassium salt ; Allantoxanic acid, potassium salt ; Oxonate ; Oxonate, potassium ; Oxonic acid, potassium salt ; Potassium 2,6-dihydroxytriazinecarboxylate ; Potassium azaorotate ; Potassium s-triazine-2,4-dione-6-carboxylate . It is off-white solid.
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