Determine the necessary mass, volume, or concentration for preparing a solution.
≥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(C(=NC(=N1)Br)N)C#N |
|---|---|
| IUPAC Name | 4-amino-2-bromopyrimidine-5-carbonitrile |
| InChIKey | CXYLLFGNJJCGHM-UHFFFAOYSA-N |
| INCHI | 1S/C5H3BrN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10) |
| Isómeros SMILES | C1=C(C(=NC(=N1)Br)N)C#N |
| WGK Alemania | 3 |
| Peso molecular | 199.01 |
| Reaxy-Rn | 4670818 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4670818&ln= |
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 | Not available |
| Direct Parent | Aminopyrimidines and derivatives |
| Alternative Parents | 2-halopyrimidines Imidolactams Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organobromide - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached 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 |
| Sensibilidad | light & Moisture sensitive |
|---|---|
| Peso molecular | 199.010 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 197.954 Da |
| Monoisotopic Mass | 197.954 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 162.000 |
| 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 |