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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-[2-(4-Fluorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one , CAS No.74918-65-3
Synonyms
2-[2-(4-fluorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one | 2-[2-(4-fluorophenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione | MLS000850437 | DTXSID301326846 | HMS2785O20 | BDBM50143983 | STL094341 | AKOS000977164 | CCG-237530 | NCGC0029
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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
2-[2-(4-fluorophenyl)-2-oxoethyl]-1, 1-dioxo-1, 2-benzothiazol-3-one | 2-[2-(4-fluorophenyl)-2-oxoethyl]-1H-1, 2-benzisothiazole-1, 1, 3(2H)-trione | MLS000850437 | DTXSID301326846 | HMS2785O20 | BDBM50143983 | STL094341 | AKOS000977164 | CCG-237530 | NCGC0029
Product Properties Names and Identifiers Canonical Smiles C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC=C(C=C3)F IUPAC Name 2-[2-(4-fluorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one InChIKey QRSMKUPJAVMUSX-UHFFFAOYSA-N INCHI 1S/C15H10FNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2 Isomeric SMILES C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)C3=CC=C(C=C3)F Molecular Weight 319.3 Reaxy-Rn 27702962 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27702962&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Benzothiazoles Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Organosulfonic acids and derivatives Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Alkyl-phenylketone - 1,2-benzothiazole - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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.
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 319.300 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 319.031 Da Monoisotopic Mass 319.031 Da Topological Polar Surface Area 79.900 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 563.000 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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