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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | C1(=C(N=C(N=C1Cl)Cl)C(F)(F)F)Br |
|---|---|
| IUPAC Name | 5-bromo-2,4-dichloro-6-(trifluoromethyl)pyrimidine |
| InChIKey | XKQALTZZYLOATN-UHFFFAOYSA-N |
| INCHI | 1S/C5BrCl2F3N2/c6-1-2(5(9,10)11)12-4(8)13-3(1)7 |
| Isómeros SMILES | C1(=C(N=C(N=C1Cl)Cl)C(F)(F)F)Br |
| CAS alternativo | 1240622-62-1 |
| PubChem CID | 72183180 |
| Peso molecular | 295.87 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | 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 Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halopyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 295.870 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 293.857 Da |
| Monoisotopic Mass | 293.857 Da |
| Topological Polar Surface Area | 25.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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 |