1-Phenyl-4-methyl-3-pyrazolidone
- Product Name1-Phenyl-4-methyl-3-pyrazolidone
- CAS2654-57-1
- CBNumberCB5261967
- MFC10H12N2O
- MW176.22
- EINECS220-180-6
- MDL NumberMFCD00044800
- MOL File2654-57-1.mol
Chemical Properties
| Melting point | 133-136 °C |
| Boiling point | 307.83°C (rough estimate) |
| Density | 1.1102 (rough estimate) |
| vapor pressure | 0.001Pa at 25℃ |
| refractive index | 1.7110 (estimate) |
| storage temp. | Sealed in dry,2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 9.54±0.70(Predicted) |
| color | White to Light yellow |
| Water Solubility | 754.801mg/L at 30℃ |
| InChI | InChI=1S/C10H12N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13) |
| InChIKey | ZZEYCGJAYIHIAZ-UHFFFAOYSA-N |
| SMILES | N1(C2=CC=CC=C2)CC(C)C(=O)N1 |
| LogP | 0.624 at 25℃ |
| CAS DataBase Reference | 2654-57-1(CAS DataBase Reference) |
| FDA UNII | 59MUO871OM |
| EPA Substance Registry System | 3-Pyrazolidinone, 4-methyl-1-phenyl- (2654-57-1) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P264-P270-P301+P312+P330-P501 | |||||||||
| Hazard Codes | Xn,N | |||||||||
| Risk Statements | 22-43-51/53 | |||||||||
| Safety Statements | 24/25 | |||||||||
| RIDADR | 2811 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1(b) | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29331990 | |||||||||
| NFPA 704: |
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