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· · COA & SDS available for every product · Same-day shipping on in-stock items 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% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications 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
Specifications & Purity
analytical standard, ≥97.5%
Names and Identifiers Canonical Smiles 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 Isomeric SMILES CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl WGK Germany 2 PubChem CID 91760 Molecular Weight 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 Class 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 Description 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 Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 139°C Molecular Weight 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
Citations of This Product References 1. Zihui Ma, Xiaoyan Liu, Yutong Liu, Wei Chen, Chengtao Wang. (2022) Studies on the biosynthetic pathways of melanin in Auricularia auricula. JOURNAL OF BASIC MICROBIOLOGY, 62 (7): (843-856). [PMID:35419841 ] [10.1002/jobm.202100670 ] 2. Ziqi Zhang, Yue Jiang, Xinyu Zhao, Jianbo Qiao, Guanqun Du, Yaxun Fan, Yilin Wang. (2025) Tuning Micellar Hydrophobicity for Enhanced Deposition, Spreading, and Solubilization of Hydrophobic Pesticides on Plant Wax Surfaces. LANGMUIR, [PMID:41399907 ] [10.1021/acs.langmuir.5c05497 ]
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