2-(Bromomethyl)acrylic acid ethyl ester

C₆H₉BrO₂CAS 17435-72-2193.04 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₆H₉BrO₂
Molar mass: 193.04 g/mol
Exact mass: 191.9786 Da
logP: 1.50Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation95.3% of notifiers
H319 Causes serious eye irritation95.3% of notifiers
H335 May cause respiratory irritation93% 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

17435-72-2

SMILES

CCOC(=O)C(=C)CBr

InChIKey

MTCMFVTVXAOHNQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H9BrO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3

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Names and synonyms

1 names

Ethyl 2-(bromomethyl)acrylate

Work with 2-(Bromomethyl)acrylic acid ethyl ester

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

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-661 % similar Methyl 2-(bromomethyl)-2-propenoate4224-69-560 % similar Ethyl bromopyruvate70-23-560 % similar Diethyl methylidenemalonate3377-20-655 % similar Diethyl oxalate95-92-154 % similar Ethyl methacrylate97-63-252 % similar Ethyl bromoacetate105-36-250 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-450 % similar

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

Same formula

Ethyl (E)-4-bromobut-2-enoate37746-78-4

Elsewhere

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