Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% 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(=C(N=C(N=C1Cl)Cl)Cl)Br |
|---|---|
| IUPAC Name | 5-bromo-2,4,6-trichloropyrimidine |
| InChIKey | GKTWIIVEUYLSCS-UHFFFAOYSA-N |
| INCHI | 1S/C4BrCl3N2/c5-1-2(6)9-4(8)10-3(1)7 |
| Isomeric SMILES | C1(=C(N=C(N=C1Cl)Cl)Cl)Br |
| Molecular Weight | 262.31 |
| Reaxy-Rn | 780238 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=780238&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 | Halopyrimidines |
| Direct Parent | 2-halopyrimidines |
| Alternative Parents | Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halopyrimidine - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 262.310 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 259.831 Da |
| Monoisotopic Mass | 259.831 Da |
| Topological Polar Surface Area | 25.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 113.000 |
| 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 |