Chloroethylene carbonate

C₃H₃ClO₃CAS 3967-54-2122.50 g/mol

Open in Covalent MOL file

Alkyl halide Carbonate

Properties

Molecular formula: C₃H₃ClO₃
Molar mass: 122.50 g/mol
Exact mass: 121.9771 Da
Density: 1.513 g/mL (at 25 °C)
Boiling point: 212 °C (at 735 Torr)
logP: 0.72Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3967-54-2

SMILES

O=C1OCC(Cl)O1

InChIKey

OYOKPDLAMOMTEE-UHFFFAOYSA-N

InChI

InChI=1S/C3H3ClO3/c4-2-1-6-3(5)7-2/h2H,1H2

Weigh it out

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

Names and synonyms

8 names

1,2-Ethanediol, 1-chloro-, cyclic carbonate
1,3-Dioxolan-2-one, 4-chloro-
Carbonic acid, cyclic chloroethylene ester
Carbonic acid, chloroethylene ester
4-Chloro-1,3-dioxolan-2-one
1,2-Ethanediol, chloro-, cyclic carbonate
Cyclic chloroethylene carbonate
NSC 74446

Work with Chloroethylene carbonate

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

Propylene carbonate108-32-748 % similar Fluoroethylene carbonate114435-02-848 % similar (4R)-4-Methyl-1,3-dioxolan-2-one16606-55-648 % similar (4S)-4-Methyl-1,3-dioxolan-2-one51260-39-048 % similar Vinylethylene carbonate4427-96-745 % similar Glycerol-1,2-carbonate931-40-845 % similar Diisobutyl carbonate539-92-441 % similar α-Chlorodiethyl carbonate50893-36-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl oxalyl chloride5781-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook