Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | COC(=O)C1=C(OC=C1)Br |
|---|---|
| IUPAC Name | methyl 2-bromofuran-3-carboxylate |
| InChIKey | XXUUZVIMSVBWIQ-UHFFFAOYSA-N |
| INCHI | 1S/C6H5BrO3/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3 |
| Isómeros SMILES | COC(=O)C1=C(OC=C1)Br |
| Peso molecular | 205.01 |
| Reaxy-Rn | 7804175 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7804175&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 | Organoheterocyclic compounds |
| Clase | Furans |
| Subclass | Furoic acid and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Furoic acid esters |
| Alternative Parents | Furan-3-carboxylic acid esters Aryl bromides Vinylogous halides Methyl esters Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Furoic acid ester - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Methyl ester - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid. |
| External Descriptors | Not available |
| Punto de ebullición (°C) | 205.0±20.0 °C at 760 mmHg |
|---|---|
| Punto de fusión (°C) | 49.5-51.5 °C |
| Peso molecular | 205.010 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 203.942 Da |
| Monoisotopic Mass | 203.942 Da |
| Topological Polar Surface Area | 39.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 137.000 |
| 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 |