≥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.
| Pubchem Sid | 504756372 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756372 |
| Canonical Smiles | C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)Br |
| IUPAC Name | 2-(2-bromophenyl)-1H-benzimidazole |
| InChIKey | KOXRUUGKLDCECO-UHFFFAOYSA-N |
| INCHI | 1S/C13H9BrN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16) |
| Isomeric SMILES | C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)Br |
| WGK Germany | 3 |
| Molecular Weight | 273.13 |
| Reaxy-Rn | 173014 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=173014&ln= |
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 | Phenylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzimidazoles |
| Alternative Parents | Phenylimidazoles Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzimidazole - 2-phenylimidazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group. |
| External Descriptors | Not available |
| Melt Point(°C) | 235-240°C |
|---|---|
| Molecular Weight | 273.130 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 271.995 Da |
| Monoisotopic Mass | 271.995 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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 |
E2331084