Ethyl 4-nitrobenzoylacetate
- Product NameEthyl 4-nitrobenzoylacetate
- CAS838-57-3
- MFC11H11NO5
- MW237.21
- EINECS212-656-7
- MOL File838-57-3.mol
Chemical Properties
| Melting point | 67-71 °C |
| Boiling point | 379.74°C (rough estimate) |
| Density | 1.3350 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 8.70±0.25(Predicted) |
| form | powder to crystal |
| color | White to Light yellow to Light orange |
| BRN | 1124763 |
| InChI | InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3 |
| InChIKey | NGRXSVFCLHVGKU-UHFFFAOYSA-N |
| SMILES | C1(C=CC([N+]([O-])=O)=CC=1)C(=O)CC(=O)OCC |
| CAS DataBase Reference | 838-57-3(CAS DataBase Reference) |
| EPA Substance Registry System | Benzenepropanoic acid, 4-nitro-.beta.-oxo-, ethyl ester (838-57-3) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25-36/37-26 |
| WGK Germany | 2 |
| RTECS | AJ1073500 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29183000 |
| Storage Class | 11 - Combustible Solids |
