3-Bromotetrahydrofuran

C₄H₇BrOCAS 19311-37-6151.00 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: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

19311-37-6

SMILES

C1COCC1Br

InChIKey

NPZIPXHYLXTEAB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-Bromotetrahydrofuran

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

4-Bromotetrahydropyran25637-16-567 % similar 3-Bromooxetane39267-79-356 % similar 3-(Bromomethyl)tetrahydrofuran165253-29-242 % similar (S)-3-Aminotetrahydrofuran104530-79-239 % similar (R)-3-Aminotetrahydrofuran111769-26-739 % similar Tetrahydro-3-iodofuran121138-01-039 % similar 3-Hydroxytetrahydrofuran453-20-339 % similar (+)-3-Hydroxytetrahydrofuran86087-23-239 % similar

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

Same formula

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

Elsewhere

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