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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 6-bromobenzo[d]isoxazole-3-carboxylate - ≥95% , CAS No.651780-27-7
Synonyms
Ethyl 6-bromobenzo[d]isoxazole-3-carboxylate|651780-27-7|ethyl 6-bromo-1,2-benzoxazole-3-carboxylate|ETHYL 6-BROMOBENZISOXAZOLE-3-CARBOXYLATE|6-bromo-benzo[d]isoxazole-3-carboxylic acid ethyl ester|ethyl6-bromobenzo[d]isoxazole-3-carboxylate|Ethyl 6-bromo
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Why this grade ≥95% 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-bromobenzo[d]isoxazole-3-carboxylate | 651780-27-7 | ethyl 6-bromo-1, 2-benzoxazole-3-carboxylate | ETHYL 6-BROMOBENZISOXAZOLE-3-CARBOXYLATE | 6-bromo-benzo[d]isoxazole-3-carboxylic acid ethyl ester | ethyl6-bromobenzo[d]isoxazole-3-carboxylate | Ethyl 6-bromo
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CCOC(=O)C1=NOC2=C1C=CC(=C2)Br IUPAC Name ethyl 6-bromo-1,2-benzoxazole-3-carboxylate InChIKey ADEQGMXEHRCMKL-UHFFFAOYSA-N INCHI 1S/C10H8BrNO3/c1-2-14-10(13)9-7-4-3-6(11)5-8(7)15-12-9/h3-5H,2H2,1H3 Isómeros SMILES CCOC(=O)C1=NOC2=C1C=CC(=C2)Br Peso molecular 270.08 Reaxy-Rn 11407497 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11407497&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 Organoheterocyclic compounds Clase Benzisoxazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzisoxazoles Alternative Parents Benzenoids Aryl bromides Isoxazoles Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzisoxazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 270.080 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 268.969 Da Monoisotopic Mass 268.969 Da Topological Polar Surface Area 52.300 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 249.000 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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