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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,2,2-Trifluoro-4'-methylacetophenone - ≥97%(GC) , CAS No.394-59-2
Synonyms
(trifluoromethyl)-p-tolyl ketone | 2,2,2-trifluoro-1-(4-methylphenyl)ethan-1-one | Ethanone, 2,2,2-trifluoro-1-(4-methylphenyl)- | EINECS 200-522-0 | HSDB 2026 | DTXSID00192590 | 4-(Trifluoroacetyl)toluene | 2,2,2-trifluoro-1-(4-methylphenyl)ethanone | 2,
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Why this grade ≥97%(GC) 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
(trifluoromethyl)-p-tolyl ketone | 2, 2, 2-trifluoro-1-(4-methylphenyl)ethan-1-one | Ethanone, 2, 2, 2-trifluoro-1-(4-methylphenyl)- | EINECS 200-522-0 | HSDB 2026 | DTXSID00192590 | 4-(Trifluoroacetyl)toluene | 2, 2, 2-trifluoro-1-(4-methylphenyl)ethanone | 2,
Specifications & Purity
≥97%(GC)
Names and Identifiers Pubchem Sid 488187851 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187851 Canonical Smiles CC1=CC=C(C=C1)C(=O)C(F)(F)F IUPAC Name 2,2,2-trifluoro-1-(4-methylphenyl)ethanone InChIKey DYILUJUELMWXAL-UHFFFAOYSA-N INCHI 1S/C9H7F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5H,1H3 Isomeric SMILES CC1=CC=C(C=C1)C(=O)C(F)(F)F PubChem CID 136237 Molecular Weight 188.15 Beilstein 7(4)704 Reaxy-Rn 1870406
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 Benzoyl derivatives Aryl alkyl ketones Toluenes Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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 1.47 Molecular Weight 188.150 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 188.045 Da Monoisotopic Mass 188.045 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 190.000 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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