≥95% 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.
| Canonical Smiles | C1CNCCN2C1=NC3=C2C=C(C=C3)Br |
|---|---|
| IUPAC Name | 9-bromo-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazole |
| InChIKey | UCDIQYIQNGIXDE-UHFFFAOYSA-N |
| INCHI | 1S/C11H12BrN3/c12-8-1-2-9-10(7-8)15-6-5-13-4-3-11(15)14-9/h1-2,7,13H,3-6H2 |
| Isomeric SMILES | C1CNCCN2C1=NC3=C2C=C(C=C3)Br |
| PubChem CID | 58063782 |
| Molecular Weight | 266.14 |
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 | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Aralkylamines N-substituted imidazoles Benzenoids Aryl bromides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Aralkylamine - Aryl bromide - Aryl halide - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Azacycle - Secondary aliphatic amine - Secondary amine - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 266.140 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 265.021 Da |
| Monoisotopic Mass | 265.021 Da |
| Topological Polar Surface Area | 29.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 236.000 |
| 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 |
![9-Bromo-2,3,4,5-tetrahydro-1H-benzo[4,5]imidazo[1,2-d][1,4]diazepine - ≥95% , CAS No.1239879-72-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)