≥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.
| Sorrisos canónicos | C1=C(C=C(C(=C1O)O)Cl)C=O |
|---|---|
| IUPAC Name | 3-chloro-4,5-dihydroxybenzaldehyde |
| InChIKey | RNNPYEYJHJEDLU-UHFFFAOYSA-N |
| INCHI | 1S/C7H5ClO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H |
| SMILES isoméricas | C1=C(C=C(C(=C1O)O)Cl)C=O |
| CAS alternativo | 34098-18-5 |
| PubChem CID | 2468182 |
| Termos de entrada MeSH | 3-chloro-4,5-dihydroxybenzaldehyde |
| Peso molecular | 172.56 |
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 |
| Classe | Phenols |
| Subclass | Benzenediols |
| Intermediate Tree Nodes | Catechols - Chlorocatechols |
| Direct Parent | 3-chlorocatechols |
| Alternative Parents | Hydroxybenzaldehydes O-chlorophenols M-chlorophenols Benzoyl derivatives Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-chlorocatechol - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Aryl-aldehyde - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Organochloride - Organohalogen compound - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as 3-chlorocatechols. These are chlorocatechols with the chlorine atom attached at position C3 of the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 172.560 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 171.993 Da |
| Monoisotopic Mass | 171.993 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 151.000 |
| 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 |
