![4-BUTYL-4-[HYDROXYMETHYL]-1,2-DIPHENYL-3,5-PYRAZOLIDINEDIONE HYDROGEN SUCCINATE [ESTER] Structure](/CAS/GIF/27470-51-5.gif)
4-BUTYL-4-[HYDROXYMETHYL]-1,2-DIPHENYL-3,5-PYRAZOLIDINEDIONE HYDROGEN SUCCINATE [ESTER]
- Product Name4-BUTYL-4-[HYDROXYMETHYL]-1,2-DIPHENYL-3,5-PYRAZOLIDINEDIONE HYDROGEN SUCCINATE [ESTER]
- CAS27470-51-5
- MFC24H26N2O6
- MW438.47
- EINECS248-477-6
- MOL File27470-51-5.mol
Chemical Properties
| Melting point | 126-127° |
| Boiling point | 550.33°C (rough estimate) |
| Density | 1.2847 (rough estimate) |
| refractive index | 1.6300 (estimate) |
| storage temp. | 2-8°C |
| solubility | Practically insoluble in water, freely soluble in acetone, soluble in ethanol (96 per cent), practically insoluble in cyclohexane. |
| form | Solid |
| pka | 4.33±0.17(Predicted) |
| color | White to Off-White |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28) |
| InChIKey | ONWXNHPOAGOMTG-UHFFFAOYSA-N |
| SMILES | CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 |
| CAS DataBase Reference | 27470-51-5 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22 |
| Safety Statements | 36 |
| WGK Germany | 3 |
| RTECS | WM9640000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |
| Toxicity | LD50 orally in mice: 5.683 micromol/kg (Esteve, 1973) |
