Determine the necessary mass, volume, or concentration for preparing a solution.
≥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.
| Sonrisas canónicas | C1COCCC1N2C=NC3=C2C=C(C=C3)Br |
|---|---|
| IUPAC Name | 6-bromo-1-(oxan-4-yl)benzimidazole |
| InChIKey | FFOAWGHMBUULGH-UHFFFAOYSA-N |
| INCHI | 1S/C12H13BrN2O/c13-9-1-2-11-12(7-9)15(8-14-11)10-3-5-16-6-4-10/h1-2,7-8,10H,3-6H2 |
| Isómeros SMILES | C1COCCC1N2C=NC3=C2C=C(C=C3)Br |
| Peso molecular | 281.15 |
| Reaxy-Rn | 23846705 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23846705&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 | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Oxanes N-substituted imidazoles Benzenoids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Aryl bromide - Aryl halide - N-substituted imidazole - Benzenoid - Oxane - Azole - Heteroaromatic compound - Imidazole - Dialkyl ether - Ether - Oxacycle - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Peso molecular | 281.150 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 280.021 Da |
| Monoisotopic Mass | 280.021 Da |
| Topological Polar Surface Area | 27.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 245.000 |
| 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 |