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

C9H9BrO2CAS 17789-14-9229.07 g/mol

Open in Covalent MOL file
BrOO
AcetalAryl halideEther

Properties

Molecular formula
C9H9BrO2
Molar mass
229.07 g/mol
Exact mass
227.9786 Da
Density
1.5137 g/mL (at 20 °C)
Boiling point
132.5 °C
logP
2.49Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
17789-14-9
SMILES
Brc1cccc(C2OCCO2)c1
InChIKey
VYPYKCPWNPPBBX-UHFFFAOYSA-N
InChI
InChI=1S/C9H9BrO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2

Weigh it out

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

Names and synonyms

6 names
  • 1,3-Dioxolane, 2-(3-bromophenyl)-
  • 1,3-Dioxolane, 2-(m-bromophenyl)-
  • m-Bromobenzaldehyde ethylene acetal
  • 2-(3-Bromophenyl)dioxolane
  • 3-Bromobenzaldehyde ethylene acetal
  • 3-(1,3-Dioxolan-2-yl)phenyl bromide

Work with 2-(3-Bromophenyl)-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromobenzaldehyde diethyl acetal75148-49-171 % similar 3-Bromocumene5433-01-252 % similar (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-847 % similar (+)-1-(3-Bromophenyl)ethanol134615-24-047 % similar (S)-1-(3-Bromophenyl)ethylamine139305-96-747 % similar (R)-1-(3-Bromophenyl)ethanamine176707-77-047 % similar 1-(3-Bromophenyl)ethanol52780-14-047 % similar 1,3-Dibromobenzene108-36-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3-bromo-4-methylbenzoate104901-43-1 2-(4-Bromophenyl)-1,3-dioxolane10602-01-4 Methyl 3-(bromomethyl)benzoate1129-28-8 Methyl 2-bromo-3-methylbenzoate131001-86-0 4-(Bromomethyl)phenylacetic acid13737-36-5 Methyl 4-bromo-3-methylbenzoate148547-19-7 Methyl 2-(3-bromophenyl)acetate150529-73-0 3-(2-Bromophenyl)propionic acid15115-58-9

Elsewhere

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