BD7954531
Ethyl 3-oxo-3-(4-nitrophenyl)propanoate , 98% , 838-57-3
Synonym(s):
(p-Nitrobenzoyl)acetic acid ethyl ester;Ethyl 3-oxo-3-(4-nitrophenyl)propanoate;NSC 62134
CAS NO.：838-57-3
Empirical Formula: C11H11NO5
Molecular Weight: 237.21
MDL number: MFCD00007357
EINECS: 212-656-7
| Pack Size | Price | Stock | Quantity |
| 1g | RMB61.60 | In Stock |
|
| 5g | RMB212.80 | In Stock |
|
| 25g | RMB667.20 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT 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) |
Description and Uses
Reactant involved in:
- Synthesis of β-1,3-dicarbonyl aldehydes via oxidation
- Knoevenagel condensation using a lysine catalyst
- Cycloisomerization fo rthe synthesis of trisubstituted furans
- Fluorination by HF and iodosylbenzene
- Intramolecular Michael addition reactions for synthesis of benzylbutyrolactones
- Synthesis of diols via reduction of aromatic and aliphatic ketos esters
- Cross-coupling reactions for stereoselective synthesis of unsymmetrical 1,4-enediones
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25-36/37-26 |
| WGK Germany | 2 |
| RTECS | AJ1073500 |
| TSCA | Yes |
| HazardClass | IRRITANT |
| HS Code | 29183000 |
