Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488194034 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194034 |
| Canonical Smiles | C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-] |
| IUPAC Name | 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide |
| InChIKey | PXSUMUYPXZEXDT-UHFFFAOYSA-M |
| INCHI | 1S/C13H12NO.BrH/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-10H,11H2;1H/q+1;/p-1 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-] |
| PubChem CID | 2798954 |
| Molecular Weight | 278.15 |
| Reaxy-Rn | 3599124 |
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 - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzoyl derivatives Aryl alkyl ketones Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic salt - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 20, 2026 | P160618 | |
| Certificate of Analysis | Jan 20, 2026 | P160618 | |
| Certificate of Analysis | Jan 20, 2026 | P160618 | |
| Certificate of Analysis | Jan 20, 2026 | P160618 | |
| Certificate of Analysis | Sep 28, 2025 | P160618 | |
| Certificate of Analysis | Sep 28, 2025 | P160618 | |
| Certificate of Analysis | Sep 28, 2025 | P160618 | |
| Certificate of Analysis | Sep 28, 2025 | P160618 | |
| Certificate of Analysis | Mar 20, 2024 | P160618 | |
| Certificate of Analysis | May 15, 2023 | P160618 |
| Melt Point(°C) | 198 °C |
|---|---|
| Molecular Weight | 278.140 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 277.01 Da |
| Monoisotopic Mass | 277.01 Da |
| Topological Polar Surface Area | 21.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 203.000 |
| 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 |