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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items (2,3,4,5-Tetrafluorobenzoil)acetato de etilo - ≥98% , CAS No.94695-50-8
Synonyms
ácido 2,3,4,5-tetrafluorobenzoilacético, éster etílico | E0759 | 2,3,4,5-tetrafluorobenzoilacetato de etilo | 2,3,4,5-tetrafluorobenzoilacetato de etilo | [4-[[4-(dimetilamino)fenil]-fenilmetilideno]ciclohexa-2,5-dien-1-ilideno]-dimetilazonio;cloruro | AS
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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 Sinónimos
ácido 2, 3, 4, 5-tetrafluorobenzoilacético, éster etílico | E0759 | 2, 3, 4, 5-tetrafluorobenzoilacetato de etilo | 2, 3, 4, 5-tetrafluorobenzoilacetato de etilo | [4-[[4-(dimetilamino)fenil]-fenilmetilideno]ciclohexa-2, 5-dien-1-ilideno]-dimetilazonio;cloruro | AS
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488190623 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488190623 Sonrisas canónicas CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)F)F)F IUPAC Name ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoate InChIKey KWDVJYLIAJHEOW-UHFFFAOYSA-N INCHI 1S/C11H8F4O3/c1-2-18-8(17)4-7(16)5-3-6(12)10(14)11(15)9(5)13/h3H,2,4H2,1H3 Isómeros SMILES CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)F)F)F Peso molecular 264.18 Reaxy-Rn 4235200 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4235200&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 Clase Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Fatty acid esters Beta-keto acids and derivatives Aryl fluorides 1,3-dicarbonyl compounds Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Beta-keto acid - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - 1,3-dicarbonyl compound - Vinylogous halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound Descripción 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in Toluene Punto de ebullición (°C) 100°C/0.1mmHg(lit.) Punto de fusión (°C) 48 °C Peso molecular 264.170 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 5 Exact Mass 264.041 Da Monoisotopic Mass 264.041 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 323.000 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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