≥98% 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 | 504762212 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762212 |
| Sonrisas canónicas | COC1=C(C(=CC(=C1)C(=O)O)Br)OC |
| IUPAC Name | 3-bromo-4,5-dimethoxybenzoic acid |
| InChIKey | ZODURELBYVOPGP-UHFFFAOYSA-N |
| INCHI | 1S/C9H9BrO4/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H,11,12) |
| Isómeros SMILES | COC1=C(C(=CC(=C1)C(=O)O)Br)OC |
| Peso molecular | 261.07 |
| Reaxy-Rn | 2115309 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2115309&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 |
| Clase | 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 | M-methoxybenzoic acids and derivatives 3-halobenzoic acids Dimethoxybenzenes Halobenzoic acids Benzoic acids Benzoyl derivatives Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - O-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 - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 B2423777 | Certificate of Analysis | Jan 16, 2024 | B405216 |
| B2423778 | Certificate of Analysis | Jan 16, 2024 | B405216 |
| B2423779 | Certificate of Analysis | Jan 16, 2024 | B405216 |
| B2423780 | Certificate of Analysis | Jan 16, 2024 | B405216 |
| Solubilidad | Soluble in Methanol |
|---|---|
| Punto de fusión (°C) | 195 °C |
| Peso molecular | 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 |
| 1. Hengfei Liang, Qi Kuang, Chengyao Hu, Jun Chen, Xiaohui Lu, Yawen Huang, Hui Yan. (2022) Construction of durable superhydrophobic and anti-icing coatings via incorporating boroxine cross-linked silicone elastomers with good self-healability. Soft Matter, 18 (43): (8238-8250). [PMID:36274264] [10.1039/D2SM01106A] |
