2-(4-Bromobutyl)-1,3-dioxolane

C7H13BrO2CAS 87227-41-6209.08 g/mol

Open in Covalent MOL file
OOBr
AcetalAlkyl halideEther

Properties

Molecular formula
C7H13BrO2
Molar mass
209.08 g/mol
Exact mass
208.0099 Da
logP
1.92Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
87227-41-6
SMILES
C1COC(O1)CCCCBr
InChIKey
UQTZEBQZCBQLAN-UHFFFAOYSA-N
InChI
InChI=1S/C7H13BrO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-6H2

Weigh it out

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Work with 2-(4-Bromobutyl)-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-(3-Bromopropoxy)tetrahydro-2H-pyran33821-94-277 % similar 2-(2-Bromoethyl)-1,3-dioxolane18742-02-467 % similar 2-(2-Bromoethyl)-1,3-dioxane33884-43-461 % similar 2-(Oxan-2-yloxy)ethan-1-ol2162-31-444 % similar 1-Bromo-5-methylhexane35354-37-144 % similar 2-(Bromomethyl)-1,3-dioxolane4360-63-843 % similar 1,4-Dibromobutane110-52-142 % similar O-(Tetrahydropyran-2-yl)hydroxylamine6723-30-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 6-bromohexanoate14273-90-6 Ethyl 5-bromovalerate14660-52-7 5-Bromopentyl acetate15848-22-3 2-(2-Bromoethoxy)tetrahydro-2H-pyran17739-45-6 7-Bromoheptanoic acid30515-28-7 1,1-Dimethylethyl 2-bromopropanoate39149-80-9 Methyl 2-bromohexanoate4554-19-2 1-Methylethyl 2-bromo-2-methylpropanoate51368-55-9

Elsewhere

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