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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 5-Phenylisoxazole-3-carboxylate - ≥98% , CAS No.51677-09-9
Synonyms
J-522510 | 3-Isoxazolecarboxylic acid, 5-phenyl-, methyl ester | HMS2322H18 | EN300-216300 | MLS000528812 | methyl 5-phenyl-1,2-oxazole-3-carboxylate | 11Z-0717 | 5-Phenyl-isoxazole-3-carboxylic acid methyl ester | 5-PHENylisoXAZOLE-3-CARBOXYLIC ACID meth
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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
J-522510 | 3-Isoxazolecarboxylic acid, 5-phenyl-, methyl ester | HMS2322H18 | EN300-216300 | MLS000528812 | methyl 5-phenyl-1, 2-oxazole-3-carboxylate | 11Z-0717 | 5-Phenyl-isoxazole-3-carboxylic acid methyl ester | 5-PHENylisoXAZOLE-3-CARBOXYLIC ACID meth
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas COC(=O)C1=NOC(=C1)C2=CC=CC=C2 IUPAC Name methyl 5-phenyl-1,2-oxazole-3-carboxylate InChIKey XMPLCJOQBDGMKT-UHFFFAOYSA-N INCHI 1S/C11H9NO3/c1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8/h2-7H,1H3 Isómeros SMILES COC(=O)C1=NOC(=C1)C2=CC=CC=C2 Peso molecular 203.19 Reaxy-Rn 169901 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=169901&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 Benzenoids Clase Benzene and substituted derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzene and substituted derivatives Alternative Parents Methyl esters Isoxazoles Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Monocyclic benzene moiety - Azole - Isoxazole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 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 (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 203.190 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 203.058 Da Monoisotopic Mass 203.058 Da Topological Polar Surface Area 52.300 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 226.000 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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