≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488199230 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488199230 |
| Kanonisches Lächeln | COC1=C(C=C(C(=C1)O)C(=O)O)Br |
| IUPAC Name | 5-bromo-2-hydroxy-4-methoxybenzoic acid |
| InChIKey | KXVQEKFWNOZTQX-UHFFFAOYSA-N |
| INCHI | 1S/C8H7BrO4/c1-13-7-3-6(10)4(8(11)12)2-5(7)9/h2-3,10H,1H3,(H,11,12) |
| Isomere SMILES | COC1=C(C=C(C(=C1)O)C(=O)O)Br |
| Molekulargewicht | 247.05 |
| Reaxy-Rn | 1874381 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874381&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 |
| Klasse | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Methoxybenzoic acids and derivatives |
| Direct Parent | P-methoxybenzoic acids and derivatives |
| Alternative Parents | Salicylic acids 3-halobenzoic acids Methoxyphenols Halobenzoic acids Benzoic acids Anisoles Phenoxy compounds P-bromophenols Benzoyl derivatives Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Alkyl aryl ethers Aryl bromides Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-methoxybenzoic acid or derivatives - Hydroxybenzoic acid - Methoxyphenol - Salicylic acid or derivatives - Salicylic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Benzoic acid - Methoxybenzene - Anisole - Phenol ether - 4-bromophenol - Benzoyl - Phenoxy compound - 4-halophenol - Phenol - Alkyl aryl ether - Halobenzene - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Aryl halide - Vinylogous acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. |
| External Descriptors | Not available |
| Schmelzpunkt (°C) | 270-274 °C (lit.) |
|---|---|
| Molekulargewicht | 247.040 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 245.953 Da |
| Monoisotopic Mass | 245.953 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| 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 |
C23101086