1-(3-Sulfophenyl)-3-methyl-5-pyrazolone
- Product Name1-(3-Sulfophenyl)-3-methyl-5-pyrazolone
- CAS119-17-5
- MFC10H10N2O4S
- MW254.26
- EINECS204-303-0
- MOL File119-17-5.mol
Chemical Properties
| Melting point | 335 °C (lit.) |
| Density | 1.53±0.1 g/cm3(Predicted) |
| vapor pressure | 0.001Pa at 20℃ |
| storage temp. | 2-8°C |
| pka | -0.73±0.30(Predicted) |
| form | Powder |
| InChI | 1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16) |
| InChIKey | VEMGKBUHUTYHHA-UHFFFAOYSA-N |
| SMILES | CC1=NN(C(=O)C1)c2cccc(c2)S(O)(=O)=O |
| LogP | -2.05 at 23℃ |
| CAS DataBase Reference | 119-17-5(CAS DataBase Reference) |
| EPA Substance Registry System | Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (119-17-5) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 43 |
| Safety Statements | 36/37 |
| WGK Germany | 1 |
| TSCA | TSCA listed |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Skin Sens. 1 |
