≥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.
| Canonical Smiles | C1=CC(=C(C=C1Cl)Br)I |
|---|---|
| IUPAC Name | 2-bromo-4-chloro-1-iodobenzene |
| InChIKey | CXHXFDQEFKFYQJ-UHFFFAOYSA-N |
| INCHI | 1S/C6H3BrClI/c7-5-3-4(8)1-2-6(5)9/h1-3H |
| Isomeric SMILES | C1=CC(=C(C=C1Cl)Br)I |
| Molecular Weight | 317.36 |
| Reaxy-Rn | 1680894 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1680894&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Iodobenzenes |
| Alternative Parents | Chlorobenzenes Bromobenzenes Aryl iodides Aryl chlorides Aryl bromides Organoiodides Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Iodobenzene - Chlorobenzene - Bromobenzene - Aryl iodide - Aryl halide - Aryl chloride - Aryl bromide - Hydrocarbon derivative - Organoiodide - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene. |
| External Descriptors | Not available |
| Boil Point(°C) | 111 °C/2.5 mmHg |
|---|---|
| Melt Point(°C) | 33 °C |
| Molecular Weight | 317.350 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 315.815 Da |
| Monoisotopic Mass | 315.815 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 99.100 |
| 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 |
L2413630