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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-(p-Tolyl)-4H-benzo[d][1，3]oxazin-4-one - ≥98% , CAS No.18600-54-9 🧪
Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Specifications & Purity
≥98%
Product Properties Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 IUPAC Name 2-(4-methylphenyl)-3,1-benzoxazin-4-one InChIKey AUPLZGYHNMXILO-UHFFFAOYSA-N INCHI 1S/C15H11NO2/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(17)18-14/h2-9H,1H3 Isomeric SMILES CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 PubChem CID 292612 Molecular Weight 237.25
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 Benzoxazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzoxazines Alternative Parents Toluenes Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazine - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). 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 Molecular Weight 237.250 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 237.079 Da Monoisotopic Mass 237.079 Da Topological Polar Surface Area 38.700 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 356.000 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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