Methyl 2-chloroacrylate

C₄H₅ClO₂CAS 80-63-7120.53 g/mol

Open in Covalent MOL file

Alkene Ester Vinyl halide

Properties

Molecular formula: C₄H₅ClO₂
Molar mass: 120.53 g/mol
Exact mass: 119.9978 Da
Density: 1.189 g/mL (at 20 °C)
Boiling point: 52 °C (at 51 Torr)
Water solubility: < 1 g/L (22.2 °C)
logP: 0.91Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor80% of notifiers
H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage10% of notifiers
H330 Fatal if inhaled80% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

80-63-7

SMILES

C=C(Cl)C(=O)OC

InChIKey

AWJZTPWDQYFQPQ-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3

Weigh it out

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

Names and synonyms

7 names

2-Propenoic acid, 2-chloro-, methyl ester
Acrylic acid, 2-chloro-, methyl ester
Methyl 2-chloro-2-propenoate
Methyl α-chloroacrylate
Methyl 2-chloropropenoate
2-Chloroacrylic acid methyl ester
NSC 32608

Work with Methyl 2-chloroacrylate

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 oxalate553-90-252 % similar Methyl oxalyl chloride5781-53-352 % similar Methyl methacrylate80-62-650 % similar Poly(methyl methacrylate)9011-14-750 % similar Methyl 2-fluoroacrylate2343-89-748 % similar Methyl 2-chloro-2-cyclopropylideneacetate82979-45-145 % similar Methyl 2-(bromomethyl)-2-propenoate4224-69-543 % similar Methyl pyruvate600-22-642 % similar

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

Same formula

Ethenyl 2-chloroacetate2549-51-1 Allyl chloroformate2937-50-0 1-Methylethenyl carbonochloridate57933-83-2

Elsewhere

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