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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-trifluoromethylbenzoylacetate - ≥98% , CAS No.212755-76-5
Synonyms
AKOS015852817 | methyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate | Methyl 4-trifluoromethylbenzoylacetate | PS-7521 | SY019270 | DTXSID80352872 | Methyl 3-oxo-3-(4-trifluoromethylphenyl)propanoate | 3-Oxo-3-[4-(trifluoromethyl)phenyl]propionic Acid Me
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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.
Specifications Synonyms
AKOS015852817 | methyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate | Methyl 4-trifluoromethylbenzoylacetate | PS-7521 | SY019270 | DTXSID80352872 | Methyl 3-oxo-3-(4-trifluoromethylphenyl)propanoate | 3-Oxo-3-[4-(trifluoromethyl)phenyl]propionic Acid Me
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488191310 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191310 Canonical Smiles COC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F IUPAC Name methyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate InChIKey NMJOILIYLOHXGP-UHFFFAOYSA-N INCHI 1S/C11H9F3O3/c1-17-10(16)6-9(15)7-2-4-8(5-3-7)11(12,13)14/h2-5H,6H2,1H3 Isomeric SMILES COC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F Molecular Weight 246.2 Reaxy-Rn 9625626 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9625626&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 Methyl 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 - Methyl ester - 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 Solubility Soluble in Methanol Melt Point(°C) 58.0 -62.0 °C Molecular Weight 246.180 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 246.05 Da Monoisotopic Mass 246.05 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 291.000 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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