≥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.
| Sonrisas canónicas | COC1=C2C(=C(C(=C1)C(=O)OC)Br)OCO2 |
|---|---|
| IUPAC Name | methyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate |
| InChIKey | LBTTXOWOLNELBG-UHFFFAOYSA-N |
| INCHI | 1S/C10H9BrO5/c1-13-6-3-5(10(12)14-2)7(11)9-8(6)15-4-16-9/h3H,4H2,1-2H3 |
| Isómeros SMILES | COC1=C2C(=C(C(=C1)C(=O)OC)Br)OCO2 |
| PubChem CID | 11449108 |
| Peso molecular | 289.08 |
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 | Hydroxybenzoic acid derivatives |
| Direct Parent | Gallic acid and derivatives |
| Alternative Parents | M-methoxybenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzodioxoles Anisoles Alkyl aryl ethers Aryl bromides Vinylogous halides Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzodioxole - Anisole - Alkyl aryl ether - Aryl bromide - Aryl halide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety. |
| External Descriptors | Not available |
| Peso molecular | 289.080 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 287.963 Da |
| Monoisotopic Mass | 287.963 Da |
| Topological Polar Surface Area | 54.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 272.000 |
| 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 |
![Methyl 4-bromo-7-methoxybenzo[d][1,3]dioxole-5-carboxylate - ≥97% CAS No(81474-46-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/m/6/m665098.png)
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