1-Oxo Ibuprofen
- Product Name1-Oxo Ibuprofen
- CAS65813-55-0
- CBNumberCB0752734
- MFC13H16O3
- MW220.26
- MDL NumberMFCD08275584
- 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
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P264-P270-P301+P312-P501 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 2918300090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| NFPA 704: |
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