≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged,Desiccated 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=C(C=C(C(=C1O)O)Br)C(=O)O |
|---|---|
| IUPAC Name | 3-bromo-4,5-dihydroxybenzoic acid |
| InChIKey | XCTQCHNCFZFEGN-UHFFFAOYSA-N |
| INCHI | 1S/C7H5BrO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12) |
| Isomeric SMILES | C1=C(C=C(C(=C1O)O)Br)C(=O)O |
| PubChem CID | 162935 |
| Molecular Weight | 233.02 |
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 | 3-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Catechols M-bromophenols O-bromophenols 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organobromides Hydrocarbon derivatives Organooxygen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Dihydroxybenzoic acid - Hydroxybenzoic acid - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - 3-halophenol - 2-halophenol - 3-bromophenol - Benzoyl - 2-bromophenol - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl halide - Aryl bromide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen 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 | 233.020 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.937 Da |
| Monoisotopic Mass | 231.937 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 |
