3-Bromo-1,1-dimethoxypropane

C₅H₁₁BrO₂CAS 36255-44-4183.05 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₅H₁₁BrO₂
Molar mass: 183.05 g/mol
Exact mass: 181.9942 Da
Density: 1.341 g/mL (at 18 °C)
Boiling point: 58–60 °C (at 17 Torr)
logP: 1.39Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

36255-44-4

SMILES

COC(CCBr)OC

InChIKey

ODZZAIFAQLODKN-UHFFFAOYSA-N

InChI

InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Propane, 3-bromo-1,1-dimethoxy-
3-Bromopropionaldehyde dimethylacetal
1-Bromo-3,3-dimethoxypropane
3-Bromopropanal dimethyl acetal
3,3-Dimethoxypropyl bromide
1,1-Dimethoxy-3-bromopropane

Work with 3-Bromo-1,1-dimethoxypropane

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

1,1,3-Trimethoxypropane14315-97-055 % similar 2-Bromo-1,1-dimethoxyethane7252-83-752 % similar 2-(2-Bromoethyl)-1,3-dioxolane18742-02-450 % similar 2,5-Dimethoxytetrahydrofuran696-59-348 % similar 2-(2-Bromoethyl)-1,3-dioxane33884-43-446 % similar 1,1,2-Trimethoxyethane24332-20-545 % similar 1,1,3,3-Tetramethoxypropane102-52-345 % similar 4,4-Dimethoxy-1-butanamine19060-15-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2,2-dimethoxypropane126-38-5 1-Bromo-2-(2-methoxyethoxy)ethane54149-17-6

Elsewhere

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