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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one - ≥98% , CAS No.26518-76-3
Synonyms
J-517992 | MIAHXWVABDHISZ-UHFFFAOYSA-N | SR-01000059904-1 | 6-(2-chloroethanoyl)-2H-benz[1,4]oxazin-3-one | SMR000420294 | SR-01000059904 | BBL029237 | C3097 | SCHEMBL532500 | 8Y-0030 | 6-(2-chloroacetyl)-4H-1,4-benzoxazin-3-one | STK660179 | J-016460 | 6
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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.
Descripción general 6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one is a heterocyclic building block.
Specifications Sinónimos
J-517992 | MIAHXWVABDHISZ-UHFFFAOYSA-N | SR-01000059904-1 | 6-(2-chloroethanoyl)-2H-benz[1, 4]oxazin-3-one | SMR000420294 | SR-01000059904 | BBL029237 | C3097 | SCHEMBL532500 | 8Y-0030 | 6-(2-chloroacetyl)-4H-1, 4-benzoxazin-3-one | STK660179 | J-016460 | 6
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504761764 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504761764 Sonrisas canónicas C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCl IUPAC Name 6-(2-chloroacetyl)-4H-1,4-benzoxazin-3-one InChIKey MIAHXWVABDHISZ-UHFFFAOYSA-N INCHI 1S/C10H8ClNO3/c11-4-8(13)6-1-2-9-7(3-6)12-10(14)5-15-9/h1-3H,4-5H2,(H,12,14) Isómeros SMILES C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCl WGK Alemania 3 Peso molecular 225.63 Reaxy-Rn 989790 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=989790&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 Benzoxazines Subclass Benzoxazinones Intermediate Tree Nodes Not available Direct Parent Benzoxazinones Alternative Parents Benzomorpholines Aryl alkyl ketones Alkyl aryl ethers Benzenoids Alpha-chloroketones Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazinone - Benzomorpholine - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Oxazinane - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four 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 (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 228-232°C Peso molecular 225.630 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 225.019 Da Monoisotopic Mass 225.019 Da Topological Polar Surface Area 55.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 282.000 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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