≥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.
| Pubchem Sid | 488198450 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488198450 |
| Canonical Smiles | COC1=CC(=C(C=C1C(=O)O)Br)OC |
| IUPAC Name | 5-bromo-2,4-dimethoxybenzoic acid |
| InChIKey | WOPJFSQYDOHZMK-UHFFFAOYSA-N |
| INCHI | 1S/C9H9BrO4/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12) |
| Isomeric SMILES | COC1=CC(=C(C=C1C(=O)O)Br)OC |
| WGK Germany | 3 |
| PubChem CID | 13505097 |
| Molecular Weight | 261.07 |
| Reaxy-Rn | 2839280 |
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 | Methoxybenzoic acids and derivatives |
| Direct Parent | P-methoxybenzoic acids and derivatives |
| Alternative Parents | O-methoxybenzoic acids and derivatives Halobenzoic acids Dimethoxybenzenes 3-halobenzoic acids Benzoic acids Phenoxy compounds Benzoyl derivatives Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-methoxybenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - M-dimethoxybenzene - Dimethoxybenzene - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2310532 | Certificate of Analysis | Dec 20, 2024 | W136233 |
| C2310527 | Certificate of Analysis | Dec 20, 2024 | W136233 |
| C2310515 | Certificate of Analysis | Dec 20, 2024 | W136233 |
| C2310243 | Certificate of Analysis | Dec 20, 2024 | W136233 |
| C2310222 | Certificate of Analysis | Dec 20, 2024 | W136233 |
| C2310235 | Certificate of Analysis | Dec 12, 2024 | W136233 |
| C2310513 | Certificate of Analysis | Dec 12, 2024 | W136233 |
| C2310541 | Certificate of Analysis | Dec 12, 2024 | W136233 |
| Melt Point(°C) | 191 °C(dec.) |
|---|---|
| Molecular Weight | 261.070 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 259.968 Da |
| Monoisotopic Mass | 259.968 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 209.000 |
| 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 |
