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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-(2-Nitro-phenyl)-2,4-dioxo-butyric acid methyl ester - ≥98% , CAS No.57446-03-4
Synonyms
methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate|57446-03-4|4-(2-NITRO-PHENYL)-2,4-DIOXO-BUTYRIC ACID METHYL ESTER|Methyl 2,4-dioxo-4-(2-nitrophenyl)butanoate|DTXSID10383573|MFCD00832016|AKOS009158030|Methyl 2-nitro-a,g-dioxo-benzenebutanoate|PS-10408|4-(2-NIT
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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
methyl 4-(2-nitrophenyl)-2, 4-dioxobutanoate | 57446-03-4 | 4-(2-NITRO-PHENYL)-2, 4-DIOXO-BUTYRIC ACID METHYL ESTER | Methyl 2, 4-dioxo-4-(2-nitrophenyl)butanoate | DTXSID10383573 | MFCD00832016 | AKOS009158030 | Methyl 2-nitro-a, g-dioxo-benzenebutanoate | PS-10408 | 4-(2-NIT
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas COC(=O)C(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-] IUPAC Name methyl 4-(2-nitrophenyl)-2,4-dioxobutanoate InChIKey JTDMQZOIDZHUJC-UHFFFAOYSA-N INCHI 1S/C11H9NO6/c1-18-11(15)10(14)6-9(13)7-4-2-3-5-8(7)12(16)17/h2-5H,6H2,1H3 Isómeros SMILES COC(=O)C(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-] Peso molecular 251.2 Reaxy-Rn 2139465 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2139465&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 Butyrophenones Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Gamma-keto acids and derivatives Beta-diketones Fatty acid esters Alpha-keto acids and derivatives Methyl esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - Nitrobenzene - Benzoyl - Nitroaromatic compound - Gamma-keto acid - Aryl alkyl ketone - Fatty acid ester - 1,3-diketone - Alpha-keto acid - Monocyclic benzene moiety - Keto acid - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Methyl ester - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Organic oxoazanium - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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 Peso molecular 251.190 g/mol XLogP3 1.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 251.043 Da Monoisotopic Mass 251.043 Da Topological Polar Surface Area 106.000 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 372.000 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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