≥98% 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 | 488187269 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187269 |
| Canonical Smiles | C1=C(C=NC(=O)N1)Br |
| IUPAC Name | 5-bromo-1H-pyrimidin-2-one |
| InChIKey | VTUDATOSQGYWML-UHFFFAOYSA-N |
| INCHI | 1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8) |
| Isomeric SMILES | C1=C(C=NC(=O)N1)Br |
| WGK Germany | 3 |
| Molecular Weight | 174.98 |
| Beilstein | 742202 |
| Reaxy-Rn | 112327 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112327&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 | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halopyrimidines |
| Alternative Parents | Pyrimidones Hydropyrimidines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Halopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| 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 |
|---|---|---|---|
 C1304083 | Certificate of Analysis | Feb 05, 2026 | B120278 |
| D2425188 | Certificate of Analysis | Jan 21, 2026 | B120278 |
| D2425190 | Certificate of Analysis | Jan 21, 2026 | B120278 |
| K2321336 | Certificate of Analysis | Aug 12, 2025 | B120278 |
| D2425191 | Certificate of Analysis | Mar 25, 2024 | B120278 |
| D1811095 | Certificate of Analysis | Aug 07, 2023 | B120278 |
| D1811096 | Certificate of Analysis | Aug 04, 2023 | B120278 |
| C2313505 | Certificate of Analysis | Apr 23, 2023 | B120278 |
| C2313502 | Certificate of Analysis | Apr 23, 2023 | B120278 |
| C2313514 | Certificate of Analysis | Apr 12, 2023 | B120278 |
| Melt Point(°C) | 230°C |
|---|---|
| Molecular Weight | 174.980 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 173.943 Da |
| Monoisotopic Mass | 173.943 Da |
| Topological Polar Surface Area | 41.500 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 173.000 |
| 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 | 1 |
