Isobarbituric acid
- Product NameIsobarbituric acid
- CAS496-76-4
- MFC4H4N2O3
- MW128.09
- EINECS207-829-9
- MOL File496-76-4.mol
Chemical Properties
| Melting point | >300 °C (dec.)(lit.) |
| Density | 1.455±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Soluble in DMSO (Sparingly), Methanol (Sparingly). |
| pka | 8.25±0.20(Predicted) |
| form | crystalline |
| color | light yellow |
| BRN | 127205 |
| Major Application | forensics and toxicology pharmaceutical (small molecule) veterinary |
| InChI | 1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1H2,(H2,5,6,8,9) |
| InChIKey | FQXOOGHQVPKHPG-UHFFFAOYSA-N |
| SMILES | O=C1CNC(=O)NC1=O |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HS Code | 2933599550 |
| Storage Class | 11 - Combustible Solids |
