2-(2-Bromoethyl)oxirane

C₄H₇BrOCAS 13287-42-8151.00 g/mol

Open in Covalent MOL file

Alkyl halide Epoxide Ether

Properties

Molecular formula: C₄H₇BrO
Molar mass: 151.00 g/mol
Exact mass: 149.9680 Da
logP: 1.17Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

13287-42-8

SMILES

BrCCC1CO1

InChIKey

ZKODPGZNBMIZFX-UHFFFAOYSA-N

InChI

InChI=1S/C4H7BrO/c5-2-1-4-3-6-4/h4H,1-3H2

Weigh it out

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

Names and synonyms

8 names

Oxirane, 2-(2-bromoethyl)-
Butane, 4-bromo-1,2-epoxy-
Oxirane, (2-bromoethyl)-
4-Bromo-1,2-epoxybutane
1,2-Epoxy-4-bromobutane
(2-Bromoethyl)oxirane
NSC 295369
1-Bromo-3,4-epoxybutane

Work with 2-(2-Bromoethyl)oxirane

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

1,2:5,6-Diepoxyhexane1888-89-759 % similar 1,2:7,8-Diepoxyoctane2426-07-553 % similar 2-(Bromomethyl)oxirane3132-64-750 % similar 2-(2-Bromoethyl)-1,3-dioxolane18742-02-445 % similar 2-Butyloxirane1436-34-643 % similar 2-(2-Bromoethyl)-1,3-dioxane33884-43-442 % similar 2-(3-Buten-1-yl)oxirane10353-53-440 % similar Triglycidylglycerol13236-02-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromotetrahydrofuran19311-37-6 (1Z)-1-Bromo-2-ethoxyethene23521-49-5 3-Bromo-2-butanone814-75-5 Bromomethyl ethyl ketone816-40-0 2-(Bromomethyl)oxetane939759-23-6

Elsewhere

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