Ethenyl 2-chloroacetate

C₄H₅ClO₂CAS 2549-51-1120.53 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₄H₅ClO₂
Molar mass: 120.53 g/mol
Exact mass: 119.9978 Da
Density: 1.187 g/mL (at 24 °C)
Boiling point: 63–70 °C (at 55 Torr)
logP: 0.91Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed89.7% of notifiers
H314 Causes severe skin burns and eye damage96.6% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

2549-51-1

SMILES

C=COC(=O)CCl

InChIKey

XJELOQYISYPGDX-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2

Weigh it out

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

Names and synonyms

5 names

Acetic acid, 2-chloro-, ethenyl ester
Acetic acid, chloro-, vinyl ester
Acetic acid, chloro-, ethenyl ester
Vinyl chloroacetate
Vinyl monochloroacetate

Reactions

VINYL CHLOROACETATE (Acetic acid, chloro-, vinyl ester)product

Work with Ethenyl 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Divinyl adipate4074-90-260 % similar Vinyl propionate105-38-458 % similar Vinyl butyrate123-20-654 % similar 2-Propen-1-yl 2-chloroacetate2916-14-554 % similar Chloroacetic anhydride541-88-852 % similar Vinyl hexanoate3050-69-948 % similar Vinyl stearate111-63-747 % similar Vinyl laurate2146-71-647 % similar

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

Same formula

Allyl chloroformate2937-50-0 1-Methylethenyl carbonochloridate57933-83-2 Methyl 2-chloroacrylate80-63-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook