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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Phenyl-5-isoxazolone - ≥98% , CAS No.1076-59-1
Synonyms
3-Phenyl-5(4H)-isoxazolone | 4,5-Dihydro-3-phenylisoxazol-5-one | STK335377 | NSC54827 | NSC-54827 | SR-01000394329-2 | 3-Phenyl-5-isoxazolone | UNII-VHX8DF99G7 | SY109320 | Parahydroxybenzaldehyde | 3-phenyl-4,5-dihydro-1,2-oxazol-5-one | CCG-42849 | NSC
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Why this grade ≥98% 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 Synonyms
3-Phenyl-5(4H)-isoxazolone | 4, 5-Dihydro-3-phenylisoxazol-5-one | STK335377 | NSC54827 | NSC-54827 | SR-01000394329-2 | 3-Phenyl-5-isoxazolone | UNII-VHX8DF99G7 | SY109320 | Parahydroxybenzaldehyde | 3-phenyl-4, 5-dihydro-1, 2-oxazol-5-one | CCG-42849 | NSC
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504754550 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504754550 Canonical Smiles C1C(=NOC1=O)C2=CC=CC=C2 IUPAC Name 3-phenyl-4H-1,2-oxazol-5-one InChIKey IHKNLPPRTQQACK-UHFFFAOYSA-N INCHI 1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2 Isomeric SMILES C1C(=NOC1=O)C2=CC=CC=C2 PubChem CID 70641 Molecular Weight 161.16
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 Class Azolines Subclass Isoxazolines Intermediate Tree Nodes Not available Direct Parent Isoxazolinones Alternative Parents Benzene and substituted derivatives Oxime esters Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Monocyclic benzene moiety - Isoxazolinone - Benzenoid - Oximester - Carboxylic acid salt - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organic salt - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as isoxazolinones. These are compounds containing an isoxazoline ring that bears a ketone group. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 155-158°C (Lit.) Molecular Weight 161.160 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 161.048 Da Monoisotopic Mass 161.048 Da Topological Polar Surface Area 38.700 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 217.000 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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