≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Pubchem Sid | 504771235 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771235 |
| Canonical Smiles | COC(=O)C1=C(C(=CC(=C1)Cl)Br)O |
| IUPAC Name | methyl 3-bromo-5-chloro-2-hydroxybenzoate |
| InChIKey | HBQLSLQUWRIFDB-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrClO3/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3,11H,1H3 |
| Isomeric SMILES | COC(=O)C1=C(C(=CC(=C1)Cl)Br)O |
| Molecular Weight | 265.49 |
| Reaxy-Rn | 2096558 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096558&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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzoic acid esters |
| Direct Parent | o-Hydroxybenzoic acid esters |
| Alternative Parents | 3-halobenzoic acids and derivatives Salicylic acid and derivatives P-chlorophenols Benzoyl derivatives O-bromophenols Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Methyl esters Vinylogous acids Organochlorides Hydrocarbon derivatives Organooxygen compounds Organic oxides Organobromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-hydroxybenzoic acid ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid or derivatives - 4-halophenol - 2-halophenol - 2-bromophenol - Benzoyl - 4-chlorophenol - Halobenzene - Chlorobenzene - Bromobenzene - Phenol - Aryl chloride - Aryl halide - Aryl bromide - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2019122 | Certificate of Analysis | Jul 21, 2025 | M193282 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 265.490 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 263.919 Da |
| Monoisotopic Mass | 263.919 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 200.000 |
| 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 |
