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· · COA & SDS für jedes Produkt verfügbar · Versand am selben Tag für Lagerartikel Sulcotrione - analytical standard, ≥97.5% , CAS No.99105-77-8
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥97.5% Synonyms
Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride | 2-(2-Chloro-4-(methylsulfonyl)benzoyl)cyclohexane-1,3-dione | Sulcotrione, PESTANAL(R), analytical standard | DTXSID9058230 | 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl
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Why this grade analytical standard, ≥97.5% Analytischer 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyme
Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride | 2-(2-Chloro-4-(methylsulfonyl)benzoyl)cyclohexane-1,3-dione | Sulcotrione, PESTANAL(R), analytical standard | DTXSID9058230 | 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl
Spezifikationen & Reinheit
analytical standard, ≥97.5%
Note
Analytischer Standard
Namen und Kennungen Pubchem Sid 528774425 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/528774425 Kanonisches Lächeln CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl IUPAC Name 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione InChIKey PQTBTIFWAXVEPB-UHFFFAOYSA-N INCHI 1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 Isomere SMILES CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl WGK Deutschland 2 PubChem CID 91760 Molekulargewicht 328.77 Beilstein 8155739
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 Klasse Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones - Alkyl-phenylketones Direct Parent Benzoylcyclohexane-1,3-diones Alternative Parents Benzenesulfonyl compounds Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Beta-diketones Aryl chlorides Vinylogous halides Sulfones Cyclic ketones Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoylcyclohexane-1,3-dione - Benzenesulfonyl group - Aryl alkyl ketone - Benzoyl - 1,3-diketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Vinylogous halide - Sulfonyl - Sulfone - Cyclic ketone - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organosulfur compound - Aromatic homomonocyclic compound Beschreibung This compound belongs to the class of organic compounds known as benzoylcyclohexane-1,3-diones. These are alkyl-phenylketones where the alkyl group is a cyclohexane 1,3-dione. External Descriptors sulfone - aromatic ketone - cyclohexanones 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-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Schmelzpunkt (°C) 139°C Molekulargewicht 328.800 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 328.017 Da Monoisotopic Mass 328.017 Da Topological Polar Surface Area 93.700 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 546.000 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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