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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 6-Acetyl-2-benzoxazolinone - ≥98%(HPLC) , CAS No.54903-09-2
Synonyms
6-acetyl-1,3-benzoxazole-2(3H)-one | SCHEMBL2546849 | EN300-74471 | FT-0758603 | 6-Acetyl-2-hydroxybenzoxazole | 6-acetyl-1,3-benzoxazol-2(3H)-one | 6-ACETYL-2-BENZOXAZOLINONE | 6-Acetyl-2(3H)-benzoxazolone | 6-acetyl-3H-benzoxazole-2-one | 6-acetyl-3H-be
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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
6-acetyl-1, 3-benzoxazole-2(3H)-one | SCHEMBL2546849 | EN300-74471 | FT-0758603 | 6-Acetyl-2-hydroxybenzoxazole | 6-acetyl-1, 3-benzoxazol-2(3H)-one | 6-ACETYL-2-BENZOXAZOLINONE | 6-Acetyl-2(3H)-benzoxazolone | 6-acetyl-3H-benzoxazole-2-one | 6-acetyl-3H-be
Especificaciones y pureza
≥98%(HPLC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488191141 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191141 Sonrisas canónicas CC(=O)C1=CC2=C(C=C1)NC(=O)O2 IUPAC Name 6-acetyl-3H-1,3-benzoxazol-2-one InChIKey QXBNAXVXLAHDTE-UHFFFAOYSA-N INCHI 1S/C9H7NO3/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-4H,1H3,(H,10,12) Isómeros SMILES CC(=O)C1=CC2=C(C=C1)NC(=O)O2 RTECS DM5285500 Peso molecular 177.16 Reaxy-Rn 1073843 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073843&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 Benzoxazoles Subclass Benzoxazolones Intermediate Tree Nodes Not available Direct Parent Benzoxazolones Alternative Parents Acetophenones Aryl alkyl ketones Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazolone - Acetophenone - Aryl ketone - Aryl alkyl ketone - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Ketone - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing 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.
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) 236 °C Peso molecular 177.160 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 177.043 Da Monoisotopic Mass 177.043 Da Topological Polar Surface Area 55.400 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 251.000 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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