≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC(=O)C1CCCC(C1=O)Br |
|---|---|
| IUPAC Name | ethyl 3-bromo-2-oxocyclohexane-1-carboxylate |
| InChIKey | VKCMWLOBUILIOQ-UHFFFAOYSA-N |
| INCHI | 1S/C9H13BrO3/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h6-7H,2-5H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1CCCC(C1=O)Br |
| Molecular Weight | 249.10 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3-dicarbonyl compounds |
| Alternative Parents | Alpha-haloketones Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | 1,3-dicarbonyl compound - Alpha-haloketone - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group. |
| External Descriptors | Not available |
| Flash Point(°C) | 132.7°C |
|---|---|
| Boil Point(°C) | 90-95 °C at 0.02 mmHg |
| Molecular Weight | 249.100 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 248.005 Da |
| Monoisotopic Mass | 248.005 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 215.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
