Methyl oxalyl chloride

C₃H₃ClO₃CAS 5781-53-3122.50 g/mol

Open in Covalent MOL file

Acyl halide Ester

Properties

Molecular formula: C₃H₃ClO₃
Molar mass: 122.50 g/mol
Exact mass: 121.9771 Da
Boiling point: 119 °C
logP: -0.08Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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, P501

Identifiers

CAS number

5781-53-3

SMILES

COC(=O)C(=O)Cl

InChIKey

ZXUQEPZWVQIOJE-UHFFFAOYSA-N

InChI

InChI=1S/C3H3ClO3/c1-7-3(6)2(4)5/h1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all

Acetic acid, 2-chloro-2-oxo-, methyl ester
Glyoxylic acid, chloro-, methyl ester
Acetic acid, chlorooxo-, methyl ester
Methyl chloroglyoxylate
Methoxalyl chloride
Methyl chlorooxoacetate
Monomethyl oxalate monochloride
Methyl chlorooxalate
Methyl (chloroformyl)formate
Monomethyl oxalate chloride
Methyl (chlorocarbonyl)formate
Oxalic acid methyl ester chloride
Oxalic acid monomethyl ester chloride
Methyl 2-chloro-2-oxoacetate
(Chloro)(oxo)acetic acid methyl ester
Chloroglyoxylic acid methyl ester
Methoxyoxalyl chloride

Work with Methyl oxalyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl oxalate553-90-258 % similar Methyl 2-chloroacrylate80-63-752 % similar Ethyl oxalyl chloride4755-77-550 % similar Methyl 2-chloro-2-cyclopropylideneacetate82979-45-148 % similar Methyl pyruvate600-22-646 % similar Methyl chloroformate79-22-143 % similar Methyl methacrylate80-62-642 % similar Poly(methyl methacrylate)9011-14-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chloroethylene carbonate3967-54-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook