Methyl 2-(bromomethyl)-2-propenoate

C₅H₇BrO₂CAS 4224-69-5179.01 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₅H₇BrO₂
Molar mass: 179.01 g/mol
Exact mass: 177.9629 Da
Boiling point: 65 °C (at 16 Torr)
logP: 1.11Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage95.5% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4224-69-5

SMILES

C=C(CBr)C(=O)OC

InChIKey

CFTUQSLVERGMHL-UHFFFAOYSA-N

InChI

InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3

Weigh it out

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

Names and synonyms

8 names

2-Propenoic acid, 2-(bromomethyl)-, methyl ester
Acrylic acid, 2-(bromomethyl)-, methyl ester
Methyl α-(bromomethyl)acrylate
Methyl 2-(bromomethyl)acrylate
Methyl 2-(bromomethyl)propenoate
2-(Bromomethyl)acrylic acid methyl ester
Methyl 3-bromo-2-methylenepropanoate
3-Bromo-2-(methylene)-1-oxo-1-methoxypropane

Reactions

METHYL α-(BROMOMETHYL)ACRYLATE (2-Propenoic acid, 2-(bromomethyl)-, methyl ester)product

Work with Methyl 2-(bromomethyl)-2-propenoate

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

2-(Bromomethyl)acrylic acid ethyl ester17435-72-260 % similar Methyl 3-bromopyruvate7425-63-057 % similar Dimethyl itaconate617-52-757 % similar Methyl 2-benzylprop-2-enoate3070-71-149 % similar Methyl 2-bromoacetate96-32-246 % similar Dimethyl oxalate553-90-246 % similar Methyl methacrylate80-62-645 % similar Poly(methyl methacrylate)9011-14-745 % similar

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

Same formula

Methyl 4-bromo-2-butenoate1117-71-1 2-Bromoethyl acrylate4823-47-6 Methyl (2E)-4-bromo-2-butenoate6000-00-6 Methyl 1-bromocyclopropanecarboxylate96999-01-8

Elsewhere

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