Ethyl (4-bromobenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-bromo)phenylquinoxaline 1,4-dioxide.
| Pubchem Sid | 504761499 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761499 |
| Sonrisas canónicas | CCOC(=O)CC(=O)C1=CC=C(C=C1)Br |
| IUPAC Name | ethyl 3-(4-bromophenyl)-3-oxopropanoate |
| InChIKey | PBDYXCKRDRCJDC-UHFFFAOYSA-N |
| INCHI | 1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3 |
| Isómeros SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)Br |
| WGK Alemania | 3 |
| Peso molecular | 271.11 |
| Reaxy-Rn | 978677 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=978677&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Bromobenzenes Beta-keto acids and derivatives Aryl bromides 1,3-dicarbonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Beta-keto acid - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 E2626088 | Certificate of Analysis | Jun 05, 2026 | E138588 |
| F2202189 | Certificate of Analysis | Jan 04, 2026 | E138588 |
| F2204208 | Certificate of Analysis | Jan 04, 2026 | E138588 |
| F2204387 | Certificate of Analysis | Jan 04, 2026 | E138588 |
| G1721049 | Certificate of Analysis | Feb 06, 2023 | E138588 |
| Índice de refracción | 1.57 |
|---|---|
| Punto de inflamación (°C) | 155 °C |
| Punto de ebullición (°C) | 124 °C/1 mmHg |
| Peso molecular | 271.110 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 269.989 Da |
| Monoisotopic Mass | 269.989 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 232.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
