1,3-Dimethylbarbituric acid
1,3-Dimethylbarbituric acid
CAS: 769-42-6
Molecular Formula: C6H8N2O3
1,3-Dimethylbarbituric acid - Names and Identifiers
| Name | 1,3-Dimethylbarbituric acid |
| Synonyms | NSC 61918 AKOS B029702 1,3-Dimethylbarbituric acid 1,3-DIMETHYLBARBITURIC ACID N,N'-Dimethylbarbituric acid Barbituric acid, 1,3-dimethyl- 6(1h,3h,5h)-pyrimidinetrione,1,3-dimethyl-4 1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 1,3-DIMETHYLPYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE 1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione 1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl- |
| CAS | 769-42-6 |
| EINECS | 212-211-7 |
| InChI | InChI=1/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3 |
1,3-Dimethylbarbituric acid - Physico-chemical Properties
| Molecular Formula | C6H8N2O3 |
| Molar Mass | 156.14 |
| Density | 1.322±0.06 g/cm3(Predicted) |
| Melting Point | 121-123 °C (lit.)121-123 °C |
| Boling Point | 228.1±23.0 °C(Predicted) |
| Flash Point | 95.3°C |
| Water Solubility | Soluble in water. |
| Solubility | hot water: soluble0.5g/10 mL, clear, colorless to faintly yellow |
| Vapor Presure | 0.0746mmHg at 25°C |
| Appearance | White crystal |
| Color | White/cream/pale yellow |
| BRN | 139810 |
| pKa | pK1:4.68(+1) (25°C) |
| Storage Condition | -20°C Freezer |
| Refractive Index | 1.511 |
| MDL | MFCD00006675 |
| Use | Usually used in the following studies: Enantioselective synthesis of isochromene pyrimidinedione derivatives having five stereocenters, via one-pot Michael-Knoevenagel condensation-inverse-electron-demand hetero-Diels-Alder reaction;Synthesis of 5-ar |
1,3-Dimethylbarbituric acid - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R41 - Risk of serious damage to eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/39 - |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29339900 |
1,3-Dimethylbarbituric acid - Introduction
Solubility in water: 60g/L (20°C), soluble in alcohol and acetone.
Last Update：2022-10-16 17:28:34
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