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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 | CN1C(=CN=C1C=O)Br |
|---|---|
| IUPAC Name | 5-bromo-1-methylimidazole-2-carbaldehyde |
| InChIKey | ZFUTWKQTEYLBKA-UHFFFAOYSA-N |
| INCHI | 1S/C5H5BrN2O/c1-8-4(6)2-7-5(8)3-9/h2-3H,1H3 |
| Isómeros SMILES | CN1C(=CN=C1C=O)Br |
| Peso molecular | 189.012 |
| Reaxy-Rn | 26679518 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26679518&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 | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles - Trisubstituted imidazoles |
| Direct Parent | 1,2,5-trisubstituted imidazoles |
| Alternative Parents | Aryl-aldehydes N-substituted imidazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,2,5-trisubstituted-imidazole - Aryl-aldehyde - Aryl bromide - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,2,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 5. |
| External Descriptors | Not available |
| Peso molecular | 189.010 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 187.959 Da |
| Monoisotopic Mass | 187.959 Da |
| Topological Polar Surface Area | 34.900 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| 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 |