≥97% 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(=C1C(=O)O)Cl)O)O |
|---|---|
| IUPAC Name | 2-chloro-3,4-dihydroxybenzoic acid |
| InChIKey | IEKVQMDBVWMVMB-UHFFFAOYSA-N |
| INCHI | 1S/C7H5ClO4/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2,9-10H,(H,11,12) |
| Isomeric SMILES | C1=CC(=C(C(=C1C(=O)O)Cl)O)O |
| Alternate CAS | 103339-65-7,87932-50-1 |
| PubChem CID | 15608164 |
| Molecular Weight | 188.56 |
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 |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxybenzoic acid derivatives |
| Alternative Parents | 2-halobenzoic acids Halobenzoic acids 3-chlorocatechols Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives M-chlorophenols O-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Vinylogous halides Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Dihydroxybenzoic acid - Hydroxybenzoic acid - 2-halobenzoic acid or derivatives - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 3-chlorocatechol - Benzoic acid - Chlorocatechol - Benzoyl - Catechol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - 1-carboxy-2-haloaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Chlorobenzene - 1-hydroxy-4-unsubstituted benzenoid - Aryl halide - Aryl chloride - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 188.560 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 187.988 Da |
| Monoisotopic Mass | 187.988 Da |
| Topological Polar Surface Area | 77.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| 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 |
