1-Oxo Ibuprofen
- Product Name1-Oxo Ibuprofen
- CAS65813-55-0
- MFC13H16O3
- MW220.26
- EINECS
- MOL File65813-55-0.mol
Chemical Properties
| Melting point | 85-87°C |
| Boiling point | 378.0±17.0 °C(Predicted) |
| Density | 1.106±0.06 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.08±0.10(Predicted) |
| color | White to Off-White |
| BRN | 2844898 |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16) |
| InChIKey | RCINGEKPKJQCMO-UHFFFAOYSA-N |
| SMILES | OC(C(C)C1=CC=C(C(C(C)C)=O)C=C1)=O |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| WGK Germany | 3 |
| HS Code | 2917394000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
