Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 | C1=CC(=CN=C1)C(=O)CBr.Br |
|---|---|
| IUPAC Name | 2-bromo-1-pyridin-3-ylethanone;hydrobromide |
| InChIKey | WDTSYONULAZKIE-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrNO.BrH/c8-4-7(10)6-2-1-3-9-5-6;/h1-3,5H,4H2;1H |
| Isomeric SMILES | C1=CC(=CN=C1)C(=O)CBr.Br |
| WGK Germany | 3 |
| PubChem CID | 2776234 |
| Molecular Weight | 280.95 |
| Beilstein | 21(3/4)3553 |
| Reaxy-Rn | 3596253 |
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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Pyridine - Pyridinium - Alpha-haloketone - Vinylogous amide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Alkyl bromide - Organic bromide salt - Hydrocarbon derivative - Organic salt - Organic oxide - Organic zwitterion - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
| Sensitivity | Heat & Light & Moisture-sensitive |
|---|---|
| Melt Point(°C) | 195°C |
| Molecular Weight | 280.940 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 280.887 Da |
| Monoisotopic Mass | 278.889 Da |
| Topological Polar Surface Area | 30.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 127.000 |
| 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 | 2 |