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· · COA & SDS Disponible para cada producto · Envío el mismo día para artículos en stock 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% Patrón analítico 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 Sinónimos
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
Especificaciones y pureza
analytical standard, ≥97.5%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/528774425
Sonrisas canónicas
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
Isómeros SMILES
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl
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 Clase 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 Descripción 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 139°C Peso molecular 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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