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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl chlorooxoacetate - ≥97% , CAS No.5781-53-3
Synonyms
X 134 | 42Z6XG83RQ | methoxyglyoxyloyl chloride | N-[(3-nitrophenyl)carbonyl]glycine | methyl chlorooxalate | methyl 2-chloro-2-oxoacetate | methyl 2-chloro-2-oxo-acetate | chloro-oxalic acid methyl ester | EINECS 227-307-4 | methyl chloro(oxo)acetate | m
Storage
Argon charged,Room temperature
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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.
Overview Reactant involved in: 1.Regioselective synthesis of fused coumarins 2. Cyclization to form substituted isoxazoles and heterocycles 3. Intramolecular Wittig reactions 4.Silyl enol ether acylation 5. Iron-mediated cleavage of C-C bonds
Specifications Synonyms
X 134 | 42Z6XG83RQ | methoxyglyoxyloyl chloride | N-[(3-nitrophenyl)carbonyl]glycine | methyl chlorooxalate | methyl 2-chloro-2-oxoacetate | methyl 2-chloro-2-oxo-acetate | chloro-oxalic acid methyl ester | EINECS 227-307-4 | methyl chloro(oxo)acetate | m
Specifications & Purity
≥97%
Storage
Argon charged, Room temperature
Names and Identifiers Canonical Smiles COC(=O)C(=O)Cl IUPAC Name methyl 2-chloro-2-oxoacetate InChIKey ZXUQEPZWVQIOJE-UHFFFAOYSA-N INCHI 1S/C3H3ClO3/c1-7-3(6)2(4)5/h1H3 Isomeric SMILES COC(=O)C(=O)Cl WGK Germany 3 UN Number 2920 Packing Group II Molecular Weight 122.51 Beilstein 1071541 Reaxy-Rn 1071541 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071541&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 Class Carboxylic acids and derivatives Subclass Carboxylic acid derivatives Intermediate Tree Nodes Carboxylic acid esters Direct Parent Methyl esters Alternative Parents Alpha-halocarboxylic acid derivatives Monocarboxylic acids and derivatives Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Methyl ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Monocarboxylic acid or derivatives - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Miscible with water Sensitivity Moisture & Light sensitive Refractive Index 1.4179-1.4199 Flash Point(°F) 114.8 °F Flash Point(°C) 46 °C Boil Point(°C) 118-120°C Molecular Weight 122.510 g/mol XLogP3 1.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 121.977 Da Monoisotopic Mass 121.977 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 7 Formal Charge 0 Complexity 98.400 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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