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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate - ≥99% , CAS No.101987-86-4
Synonyms
101987-86-4|Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate|ETHYL 3-CHLORO-2,4,5-TRIFLUOROBENZOYLACETATE|Ethyl beta-(3-chloro-2,4,5-trifluorophenyl)-beta-oxopropionate|Ethyl3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate|Benzenepropanoic acid,
Storage
Room temperature,Desiccated
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated 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
101987-86-4 | Ethyl 3-(3-chloro-2, 4, 5-trifluorophenyl)-3-oxopropanoate | ETHYL 3-CHLORO-2, 4, 5-TRIFLUOROBENZOYLACETATE | Ethyl beta-(3-chloro-2, 4, 5-trifluorophenyl)-beta-oxopropionate | Ethyl3-(3-chloro-2, 4, 5-trifluorophenyl)-3-oxopropanoate | Benzenepropanoic acid,
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature, Desiccated
Nombres e identificadores Pubchem Sid 504765756 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504765756 Sonrisas canónicas CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)Cl)F)F IUPAC Name ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate InChIKey LZMXLCPYJNRWNQ-UHFFFAOYSA-N INCHI 1S/C11H8ClF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3 Isómeros SMILES CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)Cl)F)F Peso molecular 280.63 Reaxy-Rn 5873295 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5873295&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 Aryl alkyl ketones Benzoyl derivatives Beta-keto acids and derivatives Chlorobenzenes Fatty acid esters Fluorobenzenes Aryl fluorides Aryl chlorides 1,3-dicarbonyl compounds Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Hydrocarbon derivatives Organic oxides Organochlorides Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Beta-keto acid - Chlorobenzene - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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 Punto de inflamación (°C) 130°C Punto de ebullición (°C) 325°C Punto de fusión (°C) 80-83°C Peso molecular 280.630 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 280.011 Da Monoisotopic Mass 280.011 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 327.000 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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