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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 6-Metilbenzo[d]isoxazol-3(2H)-ona - ≥98% , CAS No.66571-26-4
Synonyms
DS-16704 | EN300-318811 | 6-methyl-1,2-benzoxazol-3-one | BDBM23175 | 6-Methyl-benzo[d]isoxazol-3-ol | 6-Methylbenzo[d]isoxazol-3-ol | O11611 | SCHEMBL1100359 | 6-methyl-1,2-benzisoxazol-3(2h)-one | AKOS025396685 | DTXSID10461527 | FT-0699415 | MFCD131805
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Conservar a 2-8°C Ships Hielo húmedo 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
DS-16704 | EN300-318811 | 6-methyl-1, 2-benzoxazol-3-one | BDBM23175 | 6-Methyl-benzo[d]isoxazol-3-ol | 6-Methylbenzo[d]isoxazol-3-ol | O11611 | SCHEMBL1100359 | 6-methyl-1, 2-benzisoxazol-3(2h)-one | AKOS025396685 | DTXSID10461527 | FT-0699415 | MFCD131805
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Conservar a 2-8°C
Nombres e identificadores Pubchem Sid 504766263 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504766263 Sonrisas canónicas CC1=CC2=C(C=C1)C(=O)NO2 IUPAC Name 6-methyl-1,2-benzoxazol-3-one InChIKey TZUHTZMWRNXWLN-UHFFFAOYSA-N INCHI 1S/C8H7NO2/c1-5-2-3-6-7(4-5)11-9-8(6)10/h2-4H,1H3,(H,9,10) Isómeros SMILES CC1=CC2=C(C=C1)C(=O)NO2 Peso molecular 149.15 Reaxy-Rn 33996067 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33996067&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 Benzisoxazolones Intermediate Tree Nodes Not available Direct Parent Benzisoxazolones Alternative Parents Benzenoids Isoxazoles Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzisoxazolone - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Lactam - Azacycle - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzisoxazolones. These are aromatic compounds containing a benzene ring fused to an isoxazolone moiety. 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 Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 149.150 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 149.048 Da Monoisotopic Mass 149.048 Da Topological Polar Surface Area 38.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 181.000 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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