2-(Bromomethyl)oxirane

C₃H₅BrOCAS 3132-64-7136.98 g/mol

Open in Covalent MOL file

Alkyl halide Epoxide Ether

Properties

Molecular formula: C₃H₅BrO
Molar mass: 136.98 g/mol
Exact mass: 135.9524 Da
Density: 1.6 g/mL
Melting point: −40 °C
Boiling point: 134.6 °C
Flash point: 56.1 °C
Water solubility: < 1 g/L (22.2 °C)
logP: 0.78Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor95.5% of notifiers
H302 Harmful if swallowed95.5% of notifiers
H315 Causes skin irritation95.5% of notifiers
H319 Causes serious eye irritation95.5% of notifiers
H335 May cause respiratory irritation97.7% of notifiers
H351 Suspected of causing cancer97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3132-64-7

SMILES

BrCC1CO1

InChIKey

GKIPXFAANLTWBM-UHFFFAOYSA-N

InChI

InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2

Weigh it out

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

Names and synonyms

19 names · show all

Oxirane, 2-(bromomethyl)-
Epibromohydrin
Propane, 1-bromo-2,3-epoxy-
Oxirane, (bromomethyl)-
(Bromomethyl)ethylene oxide
1-Bromo-2,3-epoxypropane
Epibromhydrin
1,2-Epoxy-3-bromopropane
Bromohydrin
3-Bromo-1,2-epoxypropane
2,3-Epoxypropyl bromide
(Bromomethyl)oxirane
(±)-3-Bromo-1,2-epoxypropane
(±)-(Bromomethyl)oxirane
(±)-Epibromohydrin
NSC 630
Oxiranylmethyl bromide
Epoxy bromopropane
Glycidyl bromide

Work with 2-(Bromomethyl)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(2-Bromoethyl)oxirane13287-42-850 % similar 2-(Bromomethyl)oxetane939759-23-650 % similar 1,2:5,6-Diepoxyhexane1888-89-747 % similar 2-(Bromomethyl)tetrahydrofuran1192-30-945 % similar Triglycidylglycerol13236-02-744 % similar Diglycidyl ether2238-07-544 % similar 2-(Bromomethyl)tetrahydro-2H-pyran34723-82-543 % similar 1,2:7,8-Diepoxyoctane2426-07-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromooxetane39267-79-3 Propanoyl bromide598-22-1 Bromoacetone598-31-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook