≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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=C(C(=CC(=C1Br)Cl)O)C=O |
|---|---|
| IUPAC Name | 5-bromo-4-chloro-2-hydroxybenzaldehyde |
| InChIKey | JNRYILHFKYOXIK-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrClO2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-3,11H |
| Isomeric SMILES | C1=C(C(=CC(=C1Br)Cl)O)C=O |
| PubChem CID | 7172121 |
| Molecular Weight | 235.46 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes - Aryl-aldehydes - Benzaldehydes |
| Direct Parent | Hydroxybenzaldehydes |
| Alternative Parents | P-bromophenols M-chlorophenols Benzoyl derivatives Chlorobenzenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Aryl bromides Vinylogous acids Organochlorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Hydroxybenzaldehyde - Benzoyl - 4-halophenol - 3-halophenol - 3-chlorophenol - 4-bromophenol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Aryl chloride - Aryl halide - Vinylogous acid - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 235.460 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 233.908 Da |
| Monoisotopic Mass | 233.908 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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 |
