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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 5-amino-4-phenyl-3-isoxazolecarboxylate - ≥97% , CAS No.53983-15-6
Synonyms
SR-01000074473-2 | SY152381 | PD061211 | 5-amino-4-phenyl-3-Isoxazolecarboxylic acid ethyl ester | DTXSID60407192 | ethyl 5-amino-4-phenylisoxazole-3-carboxylate | FT-0768454 | DS-14444 | A914716 | Ethyl5-amino-4-phenylisoxazole-3-carboxylate | SCHEMBL958
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Why this grade ≥97% 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
SR-01000074473-2 | SY152381 | PD061211 | 5-amino-4-phenyl-3-Isoxazolecarboxylic acid ethyl ester | DTXSID60407192 | ethyl 5-amino-4-phenylisoxazole-3-carboxylate | FT-0768454 | DS-14444 | A914716 | Ethyl5-amino-4-phenylisoxazole-3-carboxylate | SCHEMBL958
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CCOC(=O)C1=NOC(=C1C2=CC=CC=C2)N IUPAC Name ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate InChIKey VSCAOMUSYLNUIK-UHFFFAOYSA-N INCHI 1S/C12H12N2O3/c1-2-16-12(15)10-9(11(13)17-14-10)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3 Isómeros SMILES CCOC(=O)C1=NOC(=C1C2=CC=CC=C2)N Peso molecular 232.24 Reaxy-Rn 18031 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18031&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 Primary aromatic amines Isoxazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Monocyclic benzene moiety - Primary aromatic amine - Azole - Isoxazole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Primary amine - Organic oxygen compound - Organopnictogen 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 232.230 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 232.085 Da Monoisotopic Mass 232.085 Da Topological Polar Surface Area 78.400 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 266.000 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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