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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Hydroxy-6-methyl-2-trifluoromethylchroman-4-one , CAS No.78605-61-5
Synonyms
2-hydroxy-6-methyl-2-trifluoromethylchroman-4-one | 2-hydroxy-6-methyl-2-(trifluoromethyl)-3H-chromen-4-one | 2-hydroxy-6-methyl-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one | MLS001029886 | ZQFJSMRUMUXVGK-UHFFFAOYSA-N | HMS2793L18 | STK806380 | AKOS0
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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-hydroxy-6-methyl-2-trifluoromethylchroman-4-one | 2-hydroxy-6-methyl-2-(trifluoromethyl)-3H-chromen-4-one | 2-hydroxy-6-methyl-2-(trifluoromethyl)-2, 3-dihydro-4H-chromen-4-one | MLS001029886 | ZQFJSMRUMUXVGK-UHFFFAOYSA-N | HMS2793L18 | STK806380 | AKOS0
Product Properties Names and Identifiers Canonical Smiles CC1=CC2=C(C=C1)OC(CC2=O)(C(F)(F)F)O IUPAC Name 2-hydroxy-6-methyl-2-(trifluoromethyl)-3H-chromen-4-one InChIKey ZQFJSMRUMUXVGK-UHFFFAOYSA-N INCHI 1S/C11H9F3O3/c1-6-2-3-9-7(4-6)8(15)5-10(16,17-9)11(12,13)14/h2-4,16H,5H2,1H3 Isomeric SMILES CC1=CC2=C(C=C1)OC(CC2=O)(C(F)(F)F)O Molecular Weight 246.18 Reaxy-Rn 4446627 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4446627&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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzopyrans Subclass 1-benzopyrans Intermediate Tree Nodes Not available Direct Parent Chromones Alternative Parents Aryl alkyl ketones Benzenoids Hemiacetals Fluorohydrins Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Chromone - Aryl ketone - Aryl alkyl ketone - Benzenoid - Fluorohydrin - Halohydrin - Hemiacetal - Ketone - Oxacycle - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 246.180 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 0 Exact Mass 246.05 Da Monoisotopic Mass 246.05 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 328.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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