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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 5，5，5-Trifluoro-4-oxopentanoate - ≥96% , CAS No.70961-05-6
Synonyms
5,5,5-TRIFLUORO-4-OXO-PENTANOIC ACID ETHYL ESTER | AMY4091 | DTXSID60538793 | EN300-253948 | FT-0685227 | A852325 | SY025687 | Ethyl 5,5,5-trifluoro-4-oxopentanoate | Ethyl 5,5,5-trifluoro-4-oxo-pentanoate | 4-trifluoromethyl-4-oxobutyric acid ethyl ester
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Why this grade ≥96% 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 Sinónimos
5, 5, 5-TRIFLUORO-4-OXO-PENTANOIC ACID ETHYL ESTER | AMY4091 | DTXSID60538793 | EN300-253948 | FT-0685227 | A852325 | SY025687 | Ethyl 5, 5, 5-trifluoro-4-oxopentanoate | Ethyl 5, 5, 5-trifluoro-4-oxo-pentanoate | 4-trifluoromethyl-4-oxobutyric acid ethyl ester
Especificaciones y pureza
≥96%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CCOC(=O)CCC(=O)C(F)(F)F IUPAC Name ethyl 5,5,5-trifluoro-4-oxopentanoate InChIKey SYCYZTBFHCQFQZ-UHFFFAOYSA-N INCHI 1S/C7H9F3O3/c1-2-13-6(12)4-3-5(11)7(8,9)10/h2-4H2,1H3 Isómeros SMILES CCOC(=O)CCC(=O)C(F)(F)F Peso molecular 198.14 Reaxy-Rn 1872773 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1872773&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 acids and derivatives Clase Keto acids and derivatives Subclass Gamma-keto acids and derivatives Intermediate Tree Nodes Not available Direct Parent Gamma-keto acids and derivatives Alternative Parents Fatty acid esters Alpha-haloketones Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aliphatic acyclic compounds Substituents Gamma-keto acid - Fatty acid ester - Fatty acyl - Alpha-haloketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Organohalogen compound - Organofluoride - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 198.140 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 198.05 Da Monoisotopic Mass 198.05 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 198.000 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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