chempirical

(Bromomethyl)cyclobutane

C5H9BrCAS 17247-58-4149.03 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C5H9Br
Molar mass
149.03 g/mol
Exact mass
147.9888 Da
Boiling point
54–56 °C (at 45 Torr)
logP
2.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 49 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
17247-58-4
SMILES
BrCC1CCC1
InChIKey
FLHFTXCMKFVKRP-UHFFFAOYSA-N
InChI
InChI=1S/C5H9Br/c6-4-5-2-1-3-5/h5H,1-4H2

Weigh it out

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

Names and synonyms

4 names
  • Cyclobutane, (bromomethyl)-
  • Bromocyclobutylmethane
  • Cyclobutylmethyl bromide
  • 1-(Bromomethyl)cyclobutane

Work with (Bromomethyl)cyclobutane

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

(Bromomethyl)cyclopentane3814-30-086 % similar Cyclohexylmethyl bromide2550-36-980 % similar (Bromomethyl)cyclopropane7051-34-571 % similar 7-(Bromomethyl)pentadecane52997-43-057 % similar 9-(Bromomethyl)nonadecane69620-20-857 % similar 11-(Bromomethyl)tricosane732276-63-057 % similar 4-Bromomethyltetrahydropyran125552-89-853 % similar 2-Ethylhexyl bromide18908-66-248 % similar

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

Same formula

5-Bromo-1-pentene1119-51-3 Bromocyclopentane137-43-9 Prenyl bromide870-63-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook