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· · COA & SDS available for every product · Same-day shipping on in-stock items 7-Fluoro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide , CAS No.152721-97-6
Synonyms
7-Fluoro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide | 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one | 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione | 7-FLUORO-1,1-DIOXO-1,4-DIHYDRO-2H-1,6-BENZO[1,2,4]THIADIAZIN-3-ONE | Q7
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Why this grade 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 Synonyms
7-Fluoro-2H-benzo[e][1, 2, 4]thiadiazin-3(4H)-one 1, 1-dioxide | 7-fluoro-1, 1-dioxo-4H-1lambda6, 2, 4-benzothiadiazin-3-one | 7-fluoro-1lambda~6~, 2, 4-benzothiadiazine-1, 1, 3(2H, 4H)-trione | 7-FLUORO-1, 1-DIOXO-1, 4-DIHYDRO-2H-1, 6-BENZO[1, 2, 4]THIADIAZIN-3-ONE | Q7
Product Properties Names and Identifiers Canonical Smiles C1=CC2=C(C=C1F)S(=O)(=O)NC(=O)N2 IUPAC Name 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one InChIKey ITUAGWGFDMMEMY-UHFFFAOYSA-N INCHI 1S/C7H5FN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11) Isomeric SMILES C1=CC2=C(C=C1F)S(=O)(=O)NC(=O)N2 PubChem CID 11096006 Molecular Weight 216.19
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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Thiadiazines Subclass Benzothiadiazines Intermediate Tree Nodes Not available Direct Parent 1,2,4-benzothiadiazine-1,1-dioxides Alternative Parents Sulfonylureas Benzenoids Aryl fluorides Organosulfonic acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,2,4-benzothiadiazine-1,1-dioxide - Sulfonylurea - Aryl fluoride - Aryl halide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 1,2,4-benzothiadiazine-1,1-dioxides. These are aromatic heterocyclic compounds containing a 1,2,4-benzothiadiazine ring system with two S=O bonds at the 1-position. 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 216.190 g/mol XLogP3 0.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 0 Exact Mass 216 Da Monoisotopic Mass 216 Da Topological Polar Surface Area 83.700 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 350.000 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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