Determine the necessary mass, volume, or concentration for preparing a solution.
≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Ethyl 4-bromobutyrate has been used as a building block for the synthesis of firefly luciferase inhibitor-conjugated peptide derivatives, and as a reagent for poly(2,6-dimethyl-1,4-phenylene oxide) and thieno[2,3-b]-azepin-4-ones synthesis.
A versatile building block and synthesis reagent
| Pubchem Sid | 528760679 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/528760679 |
| Sourires canoniques | CCOC(=O)CCCBr |
| IUPAC Name | ethyl 4-bromobutanoate |
| InChIKey | XBPOBCXHALHJFP-UHFFFAOYSA-N |
| INCHI | 1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3 |
| Isomères SMILES | CCOC(=O)CCCBr |
| WGK Allemagne | 3 |
| Numéro ONU | 3272 |
| Poids moléculaire | 195.05 |
| Beilstein | 1749700 |
| Reaxy-Rn | 1749700 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749700&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 | Lipids and lipid-like molecules |
| Classe | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Article |
|---|---|---|---|
| Certificate of Analysis | Oct 24, 2023 | E639064 |
| Solubilité | Immiscible with water. |
|---|---|
| Sensibilité | light sensitive |
| Indice de réfraction | 1.456 |
| Point d'éclair (°F) | 195.8 °F |
| Point d'éclair (°C) | 90℃ |
| Point d'ébullition (°C) | 80-82 °C/10 mmHg |
| Poids moléculaire | 195.050 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 193.994 Da |
| Monoisotopic Mass | 193.994 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 83.100 |
| 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 |