3-Methyl-2-pyrazolin-5-one
- Product Name3-Methyl-2-pyrazolin-5-one
- CAS108-26-9
- MFC4H6N2O
- MW98.1
- EINECS203-565-3
- MOL File108-26-9.mol
Chemical Properties
| Melting point | 220-224 °C |
| Boiling point | 183.6°C (rough estimate) |
| Density | 1.1890 (rough estimate) |
| refractive index | 1.4327 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Slightly soluble in ethanol. |
| pka | 13.10±0.40(Predicted) |
| form | powder to crystal |
| color | White to Light yellow |
| InChI | InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7) |
| InChIKey | NHLAPJMCARJFOG-UHFFFAOYSA-N |
| SMILES | N1=C(C)CC(=O)N1 |
| CAS DataBase Reference | 108-26-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 3H-pyrazol-3-one, 2,4-dihydro-5-methyl-(108-26-9) |
| EPA Substance Registry System | 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl- (108-26-9) |
Safety Information
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| RTECS | UQ9451500 |
| TSCA | TSCA listed |
| HS Code | 29331990 |
| Toxicity | rat,LDLo,unreported,600mg/kg (600mg/kg),Biochemical Pharmacology. Vol. 14, Pg. 1325, 1965. |
