3-Bromocyclobutanone

C₄H₅BrOCAS 23761-24-2148.99 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₄H₅BrO
Molar mass: 148.99 g/mol
Exact mass: 147.9524 Da
Boiling point: 29 °C (at 1.8 Torr)
logP: 1.11Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

23761-24-2

SMILES

O=C1CC(Br)C1

InChIKey

SMBXPJHSQKKYFY-UHFFFAOYSA-N

InChI

InChI=1S/C4H5BrO/c5-3-1-4(6)2-3/h3H,1-2H2

Weigh it out

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

Names and synonyms

2 names

Cyclobutanone, 3-bromo-
3-Bromocyclobutan-1-one

Work with 3-Bromocyclobutanone

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

Isobutyl ketone108-83-843 % similar Bicyclo(3.2.1)octan-3-one14252-05-241 % similar 3-(Hydroxymethyl)cyclobutan-1-one183616-18-439 % similar 3-Aminocyclobutan-1-one hydrochloride1035374-20-938 % similar 4-Oxo-1,2-cyclopentanedicarboxylic acid1703-61-338 % similar 3-Oxocyclobutane-1-carbonitrile20249-16-538 % similar 3-Oxocyclobutanecarboxylic acid23761-23-138 % similar 1,3-Dibromo-2-propanone816-39-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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