3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
- Product Name3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
- CAS89-36-1
- CBNumberCB1289284
- MFC10H10N2O4S
- MW254.26
- EINECS201-901-3
- MDL NumberMFCD00020756
- MOL File89-36-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | >252 °C (dec.) (lit.) |
| Density | 1.4456 (rough estimate) |
| vapor pressure | 0.001Pa at 20℃ |
| refractive index | 1.5650 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | pKa 4.90 (H2O t = 37 I = 0.15) (Uncertain) |
| form | Powder |
| color | White to Orange to Green |
| Water Solubility | 5 g/L (20 ºC) |
| BRN | 619424 |
| InChI | InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16) |
| InChIKey | CWJQQASJVVAXKL-UHFFFAOYSA-N |
| SMILES | C1(S(O)(=O)=O)=CC=C(N2C(=O)CC(C)=N2)C=C1 |
| LogP | -2.04 at 23℃ and pH7 |
| CAS DataBase Reference | 89-36-1(CAS DataBase Reference) |
| FDA UNII | 60DZB69URT |
| EPA Substance Registry System | Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (89-36-1) |
| UNSPSC Code | 12352100 |
Safety
| Symbol(GHS) |
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| Signal word | Danger | |||||||||
| Hazard statements | H314 | |||||||||
| Precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 | |||||||||
| Hazard Codes | C | |||||||||
| Risk Statements | 34 | |||||||||
| Safety Statements | 26-36/37/39-45 | |||||||||
| RIDADR | UN 1759 8/PG 2 | |||||||||
| WGK Germany | 1 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29331990 | |||||||||
| Storage Class | 8A - Combustible corrosive hazardous materials | |||||||||
| Hazard Classifications | Skin Corr. 1B | |||||||||
| NFPA 704: |
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