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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one - ≥98% , CAS No.5791-00-4
Synonyms
6-Chloro-2-methyl-2H-1,4-benzoxazin-3-ol | 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-6-CHLORO-2-METHYL- | DTXSID70973499 | 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one | Z1270207948 | 6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one | AS-8097 | MFCD01744501
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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 Sinónimos
6-Chloro-2-methyl-2H-1, 4-benzoxazin-3-ol | 4H-1, 4-BENZOXAZIN-3-ONE, 2, 3-DIHYDRO-6-CHLORO-2-METHYL- | DTXSID70973499 | 6-Chloro-2-methyl-2, 4-dihydro-1, 4-benzoxazin-3-one | Z1270207948 | 6-Chloro-2-methyl-2H-1, 4-benzoxazin-3(4H)-one | AS-8097 | MFCD01744501
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488182734 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488182734 Sonrisas canónicas CC1C(=O)NC2=C(O1)C=CC(=C2)Cl IUPAC Name 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one InChIKey MGOCBXKZDZRPMK-UHFFFAOYSA-N INCHI 1S/C9H8ClNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12) Isómeros SMILES CC1C(=O)NC2=C(O1)C=CC(=C2)Cl RTECS DM3750000 Peso molecular 197.62 Reaxy-Rn 1213243 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1213243&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 Alkyl aryl ethers Benzenoids Aryl chlorides Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazinone - Benzomorpholine - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Oxazinane - Secondary carboxylic acid amide - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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 (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 174 °C Peso molecular 197.620 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 197.024 Da Monoisotopic Mass 197.024 Da Topological Polar Surface Area 38.300 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 222.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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