151440

Methyl chlorooxoacetate

96%

• Synonym(s): Monomethyl oxalyl chloride, Chloroglyoxylic acid methyl ester, Methyl (chloroformyl)formate, Methyl 2-chloro-2-oxoacetate, Methyl chloroglyoxalate, Methyl oxalyl chloride
• Linear Formula: ClCOCOOCH₃
• CAS Number: 5781-53-3
• Molecular Weight: 122.51
• Beilstein/REAXYS Number: 1071541
• EC Number: 227-307-4
• MDL number: MFCD00000705
• UNSPSC Code: 12352101
• PubChem Substance ID: 24849133
• NACRES: NA.22

Properties

• assay: 96%
• reaction suitability: reagent type: oxidant
• refractive index: n20/D 1.419 (lit.)
• bp: 118-120 °C (lit.)
• density: 1.332 g/mL at 25 °C (lit.)
• functional group: acyl chloride; ester
• SMILES string: COC(=O)C(Cl)=O
• InChI: 1S/C3H3ClO3/c1-7-3(6)2(4)5/h1H3
• InChI key: ZXUQEPZWVQIOJE-UHFFFAOYSA-N

Description

Application

Reactant involved in:

• Regioselective synthesis of fused coumarins
• Cyclization to form substituted isoxazoles and heterocycles
• Intramolecular Wittig reactions
• Silyl enol ether acylation
• Iron-mediated cleavage of C-C bonds

Safety Information

• pictograms: GHS02,GHS05,GHS07
• signalword: Danger
• hcodes: H226,H314,H335
• pcodes: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 114.8 °F - closed cup
• flash_point_c: 46 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter