2-(Bromomethyl)-1,3-dioxolane

C₄H₇BrO₂CAS 4360-63-8167.00 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₄H₇BrO₂
Molar mass: 167.00 g/mol
Exact mass: 165.9629 Da
Density: 1.6172 g/mL (at 20 °C)
Boiling point: 79 °C (at 22 Torr)
logP: 0.75Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 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

4360-63-8

SMILES

BrCC1OCCO1

InChIKey

CKIIJIDEWWXQEA-UHFFFAOYSA-N

InChI

InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2

Weigh it out

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

Names and synonyms

8 names

1,3-Dioxolane, 2-(bromomethyl)-
Acetaldehyde, bromo-, cyclic ethylene acetal
Bromoacetaldehyde ethylene acetal
Bromoacetaldehyde ethylene ketal
2-Bromomethyldioxolane
Bromoacetaldehyde ethylene glycol acetal
2-(2-Bromomethyl)-1,3-dioxolane
(1,3-Dioxolan-2-yl)methyl bromide

Work with 2-(Bromomethyl)-1,3-dioxolane

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

Bromoacetaldehyde diethyl acetal2032-35-155 % similar 2-(2-Bromoethyl)-1,3-dioxolane18742-02-450 % similar 2-Bromo-1,1-dimethoxyethane7252-83-745 % similar 2-(4-Bromobutyl)-1,3-dioxolane87227-41-643 % similar 2-(Bromomethyl)oxetane939759-23-643 % similar 2-(Chloromethyl)-1,3-dioxolane2568-30-140 % similar 2-(Bromomethyl)oxirane3132-64-740 % similar 2-(Bromomethyl)tetrahydrofuran1192-30-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl bromoacetate105-36-2 Bromoisobutyric acid2052-01-9 4-Bromobutanoic acid2623-87-2 (R)-2-Bromobutanoic acid2681-94-9 Methyl 3-bromopropanoate3395-91-3 1-Bromoethyl acetate40258-78-4 Methyl 2-bromopropanoate5445-17-0 2-Bromobutyric acid80-58-0

Elsewhere

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