Prenyl bromide

C5H9BrCAS 870-63-3149.03 g/mol

Open in Covalent MOL file
Br
AlkeneAlkyl halide

Properties

Molecular formula
C5H9Br
Molar mass
149.03 g/mol
Exact mass
147.9888 Da
Density
1.293 g/mL (at 15 °C)
Boiling point
62–64 °C (at 67 Torr)
logP
2.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,335 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
870-63-3
SMILES
CC(C)=CCBr
InChIKey
LOYZVRIHVZEDMW-UHFFFAOYSA-N
InChI
InChI=1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C5H10Br 148.9960
[M + Na]+
[M + Na]+ Calcd for C5H9BrNa 170.9780
[M − H]−
[M − H]− Calcd for C5H8Br 146.9815
Elemental analysis
Anal. Calcd for C5H9Br: C, 40.30; H, 6.09.

Weigh it out

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

Names and synonyms

13 names · show all
  • 2-Butene, 1-bromo-3-methyl-
  • 1-Bromo-3-methyl-2-butene
  • 3-Methyl-2-butenyl bromide
  • γ,γ-Dimethylallyl bromide
  • 3,3-Dimethylallyl bromide
  • 4-Bromo-2-methyl-2-butene
  • 3-Methylcrotyl bromide
  • Dimethylallyl bromide
  • 3,3-Dimethallyl bromide
  • Isoprene hydrobromide
  • Isoprenyl bromide
  • 3-Methyl-1-bromo-2-butene
  • 3-Methyl-2-buten-1-yl bromide

Work with Prenyl bromide

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

Geranyl bromide6138-90-558 % similar 2,7-Dimethyl-2,6-octadiene16736-42-850 % similar Prenylthiol5287-45-650 % similar 2-Methyl-2-pentene625-27-445 % similar 1-Chloro-3-methyl-2-butene503-60-643 % similar Prenol556-82-143 % similar Squalene111-02-436 % similar Squalene7683-64-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1-pentene1119-51-3 Bromocyclopentane137-43-9 (Bromomethyl)cyclobutane17247-58-4

Elsewhere

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