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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl (4-trifluoromethylbenzoyl)acetate - ≥98% , CAS No.106263-53-0
Synonyms
3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER | 3-oxo-3-(4-trifluoromethyl-phenyl)-propionic acid ethyl ester | ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate | MFCD03424818 | SY003913 | AM685 | J-001554 | AKOS005064019 | AC-7085 | ethy
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Why this grade ≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Reactant for: 1. In-catalyzed cycloisomerization. 2.Chiral Lewis base-catalyzed stereoselective reduction with trichlorosilane and water. 3.Guanidine-catalyzed enantioselective Michael reactions. 4.Transesterification reactions. 5. Intermolecular coupling reactions.
Specifications Synonyms
3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER | 3-oxo-3-(4-trifluoromethyl-phenyl)-propionic acid ethyl ester | ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate | MFCD03424818 | SY003913 | AM685 | J-001554 | AKOS005064019 | AC-7085 | ethy
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CCOC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F IUPAC Name ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate InChIKey HVHVSJPSNQIPEM-UHFFFAOYSA-N INCHI 1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3 Isomeric SMILES CCOC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F WGK Germany 3 Molecular Weight 260.21 Reaxy-Rn 4473484 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4473484&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 Trifluoromethylbenzenes Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Beta-keto acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Trifluoromethylbenzene - Benzoyl - Aryl alkyl ketone - Beta-keto acid - Fatty acid ester - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Monocyclic benzene moiety - Fatty acyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.488 Boil Point(°C) 248-249°C Molecular Weight 260.209 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 260.066 Da Monoisotopic Mass 260.066 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 304.000 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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