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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-Chloroacetoacetic Acid Methyl Ester - ≥95%(GC) , CAS No.4755-81-1
Synonyms
FT-0635430 | EINECS 225-286-6 | Tetrabromophthalic Anhydride (purified by sublimation) | METHYL 2-CHLORO-3-OXOBUTYRATE | 2-chloroacetoacetate methyl ester | methyl-2-chloroacetoacetate | GYQRIAVRKLRQKP-UHFFFAOYSA- | SY051760 | Methyl-alpha-Chloroacetoacet
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Why this grade ≥95%(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.
Descripción general It was used in one-pot synthesis of 2-arylimidazole-4-carboxylic acids. It was also used in synthesis of 3,5-disubstituted 1,2,4-triazoles.
Specifications Sinónimos
FT-0635430 | EINECS 225-286-6 | Tetrabromophthalic Anhydride (purified by sublimation) | METHYL 2-CHLORO-3-OXOBUTYRATE | 2-chloroacetoacetate methyl ester | methyl-2-chloroacetoacetate | GYQRIAVRKLRQKP-UHFFFAOYSA- | SY051760 | Methyl-alpha-Chloroacetoacet
Especificaciones y pureza
≥95%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504756613 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504756613 Sonrisas canónicas CC(=O)C(C(=O)OC)Cl IUPAC Name methyl 2-chloro-3-oxobutanoate InChIKey GYQRIAVRKLRQKP-UHFFFAOYSA-N INCHI 1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3 Isómeros SMILES CC(=O)C(C(=O)OC)Cl WGK Alemania 3 Número ONU 1760 Peso molecular 150.56 Beilstein 3(4)1549 Reaxy-Rn 1757494 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1757494&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 Beta-keto acids and derivatives Intermediate Tree Nodes Not available Direct Parent Beta-keto acids and derivatives Alternative Parents Fatty acid esters 1,3-dicarbonyl compounds Methyl esters Alpha-halocarboxylic acid derivatives Alpha-chloroketones Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Molecular Framework Aliphatic acyclic compounds Substituents Beta-keto acid - Fatty acid ester - 1,3-dicarbonyl compound - Fatty acyl - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Alpha-haloketone - Alpha-chloroketone - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Organooxygen compound - Organic oxygen compound - Alkyl chloride - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 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 Solubilidad Solubility in water: 50 g/L (20°C) Solubility in other solvents: soluble in organic solvents Índice de refracción 1.45 Punto de inflamación (°F) 161.6 °F Punto de inflamación (°C) 71°C(lit.) Punto de ebullición (°C) 86 °C/21 mmHg Peso molecular 150.560 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 150.008 Da Monoisotopic Mass 150.008 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 132.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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