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· · COA & SDS available for every product · Same-day shipping on in-stock items Benoxacor - analytical standard , CAS No.98730-04-2
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Synonyms
BENOXACOR|98730-04-2|BRN 4190275|CGA 154 281|2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-|2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone|UAI2652GEV|2,2-dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone|CHE
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Why this grade analytical standard Analytical standard 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
BENOXACOR | 98730-04-2 | BRN 4190275 | CGA 154 281 | 2H-1, 4-Benzoxazine, 4-(dichloroacetyl)-3, 4-dihydro-3-methyl- | 2, 2-dichloro-1-(3-methyl-2, 3-dihydro-1, 4-benzoxazin-4-yl)ethanone | UAI2652GEV | 2, 2-dichloro-1-(3-methyl-2, 3-dihydro-4H-1, 4-benzoxazin-4-yl)ethanone | CHE
Specifications & Purity
analytical standard
Names and Identifiers Canonical Smiles CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl IUPAC Name 2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone InChIKey PFJJMJDEVDLPNE-UHFFFAOYSA-N INCHI 1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3 Isomeric SMILES CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl Molecular Weight 260.12 Reaxy-Rn 4190275 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4190275&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 Class Benzoxazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzoxazines Alternative Parents Benzomorpholines Alkyl aryl ethers Benzenoids Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzomorpholine - Benzoxazine - Alkyl aryl ether - Benzenoid - Oxazinane - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl chloride - 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 Pesticides 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 Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Flash Point(°F) >107 °C Flash Point(°C) >107°C Melt Point(°C) 107.6°C Molecular Weight 260.110 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 259.017 Da Monoisotopic Mass 259.017 Da Topological Polar Surface Area 29.500 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 273.000 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
Citations of This Product References 1. Xiu Liu, Xing Tang, Hongjun Chen, Xiang Wu, Zitong Fu, Mingyu Peng, Chenzhong Jin, Jun Guo. (2025) A Fenclorim Molecularly Imprinted Electrochemical Sensor Based on a Polycatechol/Ti3C2Tx Composite. SENSORS, 25 (18): (5838). [PMID:41013071 ] [10.3390/s25185838 ]
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