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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 6-Bromocoumarin-3-carboxylate - ≥98%(HPLC) , CAS No.2199-90-8
Synonyms
Ethyl 6-Bromocoumarin-3-carboxylate | IFLab1_000491 | F0110-0091 | 6-Bromocoumarin-3-carboxylicacidethylester | Oprea1_663499 | SR-01000391454 | ethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate | DTXSID40351124 | A878820 | ethyl6-bromo-2-oxo-2H-chromene-3-ca
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
Ethyl 6-Bromocoumarin-3-carboxylate | IFLab1_000491 | F0110-0091 | 6-Bromocoumarin-3-carboxylicacidethylester | Oprea1_663499 | SR-01000391454 | ethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate | DTXSID40351124 | A878820 | ethyl6-bromo-2-oxo-2H-chromene-3-ca
Especificaciones y pureza
≥98%(HPLC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488191156 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191156 Sonrisas canónicas CCOC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O IUPAC Name ethyl 6-bromo-2-oxochromene-3-carboxylate InChIKey RXGDNKCWEKUYQA-UHFFFAOYSA-N INCHI 1S/C12H9BrO4/c1-2-16-11(14)9-6-7-5-8(13)3-4-10(7)17-12(9)15/h3-6H,2H2,1H3 Isómeros SMILES CCOC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O Peso molecular 297.1 Beilstein 18(5)8,326 Reaxy-Rn 238040 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=238040&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Clase Coumarins and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Coumarins and derivatives Alternative Parents 1-benzopyrans Pyranones and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Coumarin - Benzopyran - 1-benzopyran - Pyranone - Aryl bromide - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 169 °C Peso molecular 297.100 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 295.968 Da Monoisotopic Mass 295.968 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 364.000 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
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