chempirical

2-(2-Bromoethyl)-1,3-dioxolane

C5H9BrO2CAS 18742-02-4181.03 g/mol

Open in Covalent MOL file
BrOO
AcetalAlkyl halideEther

Properties

Molecular formula
C5H9BrO2
Molar mass
181.03 g/mol
Exact mass
179.9786 Da
Boiling point
76–80 °C (at 0.8 Torr)
logP
1.14Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
18742-02-4
SMILES
BrCCC1OCCO1
InChIKey
GGZQLTVZPOGLCC-UHFFFAOYSA-N
InChI
InChI=1S/C5H9BrO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2

Weigh it out

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

Names and synonyms

11 names
  • 1,3-Dioxolane, 2-(2-bromoethyl)-
  • 1,1-(Ethylenedioxy)-3-bromopropane
  • 3-Bromopropanal ethylene acetal
  • 1-Bromo-3,3-(ethylenedioxy)propane
  • β-Bromopropionaldehyde ethylene acetal
  • 3,3-(Ethylenedioxy)propyl bromide
  • 3-Bromopropionaldehyde ethylene acetal
  • 1,3-Dioxolan-2-ylethyl bromide
  • 2-(1,3-Dioxolan-2-yl)ethyl bromide
  • 2-(2-Bromoethyl)-1,3-dioxolan
  • 2-(2′-Bromoethyl)-1,3-dioxolane

Work with 2-(2-Bromoethyl)-1,3-dioxolane

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

2-(2-Bromoethyl)-1,3-dioxane33884-43-479 % similar 2-(2-Bromoethoxy)tetrahydro-2H-pyran17739-45-657 % similar 3-Bromo-1,1-dimethoxypropane36255-44-450 % similar 2-(Bromomethyl)-1,3-dioxolane4360-63-850 % similar 2-(2-Bromoethyl)oxirane13287-42-845 % similar 1,3-Dioxolane-2-ethanamine5754-35-845 % similar 1-Bromo-3-methylbutane107-82-436 % similar 2-(Chloromethyl)-1,3-dioxolane2568-30-136 % similar

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

Same formula

Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-7 5-Bromopentanoic acid2067-33-6 Methyl 2-bromo-2-methylpropanoate23426-63-3 (2S)-2-Bromo-3-methylbutanoic acid26782-75-2 Isopropyl bromoacetate29921-57-1 Methyl 2-bromobutanoate3196-15-4 Methyl 4-bromobutyrate4897-84-1 Ethyl 2-bromopropionate535-11-5

Elsewhere

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