3-Methoxy-4-hydroxy-5-nitrobenzyl,4'-methylbenzyl ketone
- Product Name3-Methoxy-4-hydroxy-5-nitrobenzyl,4'-methylbenzyl ketone
- CAS134612-80-9
- CBNumberCB3838200
- MFC15H13NO5
- MW287.27
- MDL NumberMFCD12545750
- MOL File134612-80-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 135-137 °C(Solv: ethanol (64-17-5)) |
| Boiling point | 474.8±45.0 °C(Predicted) |
| Density | 1.317±0.06 g/cm3(Predicted) |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 4.97±0.38(Predicted) |
| form | Solid |
| color | Yellow to Dark Orange |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3 |
| InChIKey | VCNSNEJUGBEWTA-UHFFFAOYSA-N |
| SMILES | [N+](=O)([O-])c1c(c(cc(c1)C(=O)c2ccc(cc2)C)OC)O |
| FDA UNII | F90Q84HN93 |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
