Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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.
| Pubchem Sid | 504772305 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772305 |
| Canonical Smiles | C1=CN=C(N=C1)C(=O)CBr.Br |
| IUPAC Name | 2-bromo-1-pyrimidin-2-ylethanone;hydrobromide |
| InChIKey | YLGIMHONOXNWSQ-UHFFFAOYSA-N |
| INCHI | 1S/C6H5BrN2O.BrH/c7-4-5(10)6-8-2-1-3-9-6;/h1-3H,4H2;1H |
| Isomeric SMILES | C1=CN=C(N=C1)C(=O)CBr.Br |
| PubChem CID | 72942470 |
| Molecular Weight | 281.935 |
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 | Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Hydrobromides Alkyl bromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Pyrimidine - Alpha-haloketone - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Alkyl bromide - Hydrobromide - Hydrocarbon derivative - Organic oxide - 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 |
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 | Nov 10, 2025 | B174576 | |
| Certificate of Analysis | Nov 10, 2025 | B174576 | |
| Certificate of Analysis | Oct 30, 2025 | B174576 | |
| Certificate of Analysis | Oct 30, 2025 | B174576 | |
| Certificate of Analysis | Oct 25, 2022 | B174576 |
| Molecular Weight | 281.930 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 281.883 Da |
| Monoisotopic Mass | 279.885 Da |
| Topological Polar Surface Area | 42.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 123.000 |
| 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 |