chempirical

Bromocyclobutane

C4H7BrCAS 4399-47-7135.00 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C4H7Br
Molar mass
135.00 g/mol
Exact mass
133.9731 Da
Density
1.43 g/mL (at 24 °C)
Boiling point
108.2–108.3 °C
logP
1.93Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
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
4399-47-7
SMILES
BrC1CCC1
InChIKey
KXVUSQIDCZRUKF-UHFFFAOYSA-N
InChI
InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2

Weigh it out

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

Names and synonyms

2 names
  • Cyclobutane, bromo-
  • Cyclobutyl bromide

Work with Bromocyclobutane

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

Bromocyclopentane137-43-983 % similar Bromocyclohexane108-85-077 % similar Bromocyclooctane1556-09-877 % similar Bromocycloheptane2404-35-577 % similar 3-Bromoheptane1974-05-643 % similar 4-Bromopiperidine hydrobromide54288-70-940 % similar trans-1,2-Dibromocyclohexane7429-37-038 % similar 3-Bromopentane1809-10-535 % similar

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

Same formula

Methallyl bromide1458-98-6 2-Bromo-1-butene23074-36-4 1-Bromo-2-butene4784-77-4 4-Bromo-1-butene5162-44-7 (Bromomethyl)cyclopropane7051-34-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook