Methyl 3-chloro-3-oxopropanoate

C₄H₅ClO₃CAS 37517-81-0136.53 g/mol

Open in Covalent MOL file

Acyl halide Ester

Properties

Molecular formula: C₄H₅ClO₃
Molar mass: 136.53 g/mol
Exact mass: 135.9927 Da
Boiling point: 63–64 °C (at 10 Torr)
logP: 0.31Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation77.8% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

37517-81-0

SMILES

COC(=O)CC(=O)Cl

InChIKey

UTBCRHAMJFMIIR-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3

Weigh it out

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

Names and synonyms

15 names · show all

Propanoic acid, 3-chloro-3-oxo-, methyl ester
Methyl malonyl chloride
(Methoxycarbonyl)acetyl chloride
Methyl (chlorocarbonyl)acetate
(Carbomethoxy)acetyl chloride
Methyl (chloroformyl)acetate
Malonic acid monomethyl ester chloride
Malonic acid chloride monomethyl ester
2-Methoxycarbonylacetyl chloride
Methyl 2-(chloroformyl)acetate
Methyl 3-chloro-3-oxopropionate
3-Chloro-3-oxopropanoic acid methyl ester
Methyl 2-(chlorocarbonyl)acetate
Chlorocarbonylacetic acid methyl ester
3-Methoxy-3-oxopropanoyl chloride

Work with Methyl 3-chloro-3-oxopropanoate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl malonate108-59-864 % similar Methyl 4-(chloroformyl)butyrate1501-26-463 % similar Methyl adipoyl chloride35444-44-161 % similar Ethyl 3-chloro-3-oxopropanoate36239-09-557 % similar 1,5-Dimethyl 3-oxopentanedioate1830-54-256 % similar Methyl acetoacetate105-45-352 % similar Methyl 4-chloroacetoacetate32807-28-652 % similar Dimethyl succinate106-65-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Acetyloxy)acetyl chloride13831-31-7 Ethyl oxalyl chloride4755-77-5

Elsewhere

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