2-(Bromomethyl)oxetane

C₄H₇BrOCAS 939759-23-6151.00 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₄H₇BrO
Molar mass: 151.00 g/mol
Exact mass: 149.9680 Da
logP: 1.17Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

939759-23-6

SMILES

C1COC1CBr

InChIKey

OMXAGUVERXNCSZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Bromomethyl-oxetane

Work with 2-(Bromomethyl)oxetane

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)tetrahydrofuran1192-30-970 % similar 2-(Bromomethyl)tetrahydro-2H-pyran34723-82-567 % similar 2-(Bromomethyl)oxirane3132-64-750 % similar 2-(Iodomethyl)oxetane121138-00-945 % similar 1-[(2S)-Oxetan-2-yl]methanamine2091328-57-145 % similar 2-Hydroxymethyloxetane61266-70-445 % similar 2-(Bromomethyl)-1,3-dioxolane4360-63-843 % similar 4-Bromomethyltetrahydropyran125552-89-839 % similar

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

Same formula

2-(2-Bromoethyl)oxirane13287-42-8 3-Bromotetrahydrofuran19311-37-6 (1Z)-1-Bromo-2-ethoxyethene23521-49-5 3-Bromo-2-butanone814-75-5 Bromomethyl ethyl ketone816-40-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook