Ethyl chloroacetate

C₄H₇ClO₂CAS 105-39-5122.55 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₄H₇ClO₂
Molar mass: 122.55 g/mol
Exact mass: 122.0135 Da
Density: 1.1498 g/mL (at 20 °C)
Melting point: −26 °C
Boiling point: 144–146 °C
Flash point: 53 °C (closed cup)
Water solubility: miscible
logP: 0.79Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard

Harmonised EU classification (CLP Annex VI, index 607-070-00-7), via PubChem.

Precautionary statements

P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

105-39-5

SMILES

CCOC(=O)CCl

InChIKey

VEUUMBGHMNQHGO-UHFFFAOYSA-N

InChI

InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all

Acetic acid, 2-chloro-, ethyl ester
Acetic acid, chloro-, ethyl ester
Ethyl chloroethanoate
Ethyl α-chloroacetate
Ethyl monochloracetate
Chloroacetic acid ethyl ester
Ethyl chloracetate
Ethyl monochloroacetate
Ethyl 2-chloroacetate
(Ethoxycarbonyl)methyl chloride
2-Chloroacetic acid ethyl ester
NSC 8833
Ethyl 2-monochloroacetate

Work with Ethyl chloroacetate

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

Ethyl 4-chloroacetoacetate638-07-367 % similar Ethyl 3-chloropropionate623-71-262 % similar Diethyl malonate105-53-361 % similar Diethyl succinate123-25-161 % similar Ethyl propionate105-37-358 % similar Diethyl glutarate818-38-258 % similar Ethyl 4-chlorobutyrate3153-36-457 % similar Butyl chloroacetate590-02-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropyl chloroformate108-23-6 Propyl chloroformate109-61-5 2-Ethoxyacetyl chloride14077-58-8 Methyl 2-chloropropionate17639-93-9 2-(Chloromethyl)-1,3-dioxolane2568-30-1 (S)-2-Chloro-N-butyric acid32653-32-0 2-Chlorobutanoic acid4170-24-5 4-Chlorobutanoic acid627-00-9

Elsewhere

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