Description

Methyl chloroglyoxylate (CAS No. 5781-53-3) is a highly reactive organic compound with the molecular formula C₃H₃ClO₃. Also known by its IUPAC name, methyl 2-chloro-2-oxoacetate, this ester of chloroglyoxylic acid is a versatile building block in synthetic organic chemistry. Its molecular weight of 122.51 g/mol and clear to pale yellow liquid appearance make it suitable for precise laboratory applications.

This compound is widely utilized in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals due to its reactive chloro and ester functional groups. It is typically stored under inert conditions to prevent hydrolysis and degradation. Researchers value Methyl chloroglyoxylate for its ability to act as an acylating agent and its role in the preparation of heterocyclic compounds.

Key Specifications:

• CAS Number: 5781-53-3
• Molecular Formula: C₃H₃ClO₃
• Appearance: Clear to pale yellow liquid
• Purity: ≥95% (GC)
• Storage: Store under nitrogen at 2-8°C

Properties

• CAS Number: 5781-53-3
• Complexity: 98.4
• IUPAC Name: methyl 2-chloro-2-oxo-acetate
• InChI: InChI=1S/C3H3ClO3/c1-7-3(6)2(4)5/h1H3
• InChI Key: ZXUQEPZWVQIOJE-UHFFFAOYSA-N
• Exact Mass: 121.9770716
• Molecular Formula: C3H3ClO3
• Molecular Weight: 122.51
• SMILES: COC(=O)C(=O)Cl
• Topological: 43.4
• Monoisotopic Mass: 121.9770716
• Synonyms: 5781-53-3, Methyl chlorooxoacetate, Methyl chloroglyoxylate, Methyl oxalyl chloride, methyl 2-chloro-2-oxoacetate, Acetic acid, chlorooxo-, methyl ester, Chloroglyoxylic Acid Methyl Ester, methoxalyl chloride, 42Z6XG83RQ, Acetic acid, 2-chloro-2-oxo-, methyl ester, EINECS 227-307-4, DTXSID9064003, DTXCID3042269, 227-307-4, Methyl (Chlorocarbonyl)formate, Methyloxalylchloride, MFCD00000705, methylchlorooxoacetate, methyl chloro(oxo)acetate, methyl 2-chloro-2-oxo-acetate, C3H3ClO3, Methyl chlorooxoacetate, 96%, methyl chlorooxalate, methylchloroglyoxylate, ClCOCO2Me, methyl chloro-oxoacetate, methyl cloro(oxo)acetate, methoxyglyoxyloyl chloride, Methyl Chloro-oxo-acetate, Mono methyl oxalyl chloride, methyl(chlorocarbonyl)formate, methyl2-chloro-2-oxoacetate, UNII-42Z6XG83RQ, SCHEMBL51376, methyl-2-chloro-2-oxoacetate, chloro-oxalic acid methyl ester, chlorooxoacetic acid methyl ester, chloro-oxoacetic acid methyl ester, chloro-oxo-acetic acid methyl ester, AKOS009031376, FM46524, FS-3799, DB-030033, A8231, NS00033795, EN300-20687, F0001-1507

Application

Methyl chloroglyoxylate is primarily used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and fine chemicals. Its reactive chloro and carbonyl groups facilitate efficient acylations and condensation reactions. Researchers employ it in the preparation of heterocyclic scaffolds, which are crucial in drug discovery. Additionally, it serves as a precursor in the manufacture of agrochemicals and specialty polymers.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Corr. 1B (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.