Bromoacetaldehyde diethyl acetal

C₆H₁₃BrO₂CAS 2032-35-1197.07 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₆H₁₃BrO₂
Molar mass: 197.07 g/mol
Exact mass: 196.0099 Da
Density: 1.296 g/mL (at 19 °C)
Boiling point: 57–58 °C (at 9 Torr)
logP: 1.78Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Danger

H226 Flammable liquid and vapor13.2% of notifiers
H301 Toxic if swallowed86.8% of notifiers
H315 Causes skin irritation63.2% of notifiers
H319 Causes serious eye irritation99.1% of notifiers
H330 Fatal if inhaled83% of notifiers
H335 May cause respiratory irritation17% of notifiers

Aggregated from 106 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2032-35-1

SMILES

CCOC(CBr)OCC

InChIKey

LILXDMFJXYAKMK-UHFFFAOYSA-N

InChI

InChI=1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all

Ethane, 2-bromo-1,1-diethoxy-
Acetaldehyde, bromo-, diethyl acetal
2-Bromo-1,1-diethoxyethane
Bromacetal
1,1-Diethoxy-2-bromoethane
Diethyl bromoacetaldehyde acetal
2-Bromoacetaldehyde diethyl acetal
1-Bromo-2,2-diethoxyethane
2,2-Diethoxyethyl bromide
α-Bromoacetaldehyde diethyl acetal
Bromacetaldehyde diethyl acetal
Bromoacetal
NSC 8036

Reactions

BROMOACETAL (Acetaldehyde, bromo-, diethyl acetal)product

Work with Bromoacetaldehyde diethyl acetal

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

1,1,3,3-Tetraethoxypropane122-31-663 % similar 2-(Bromomethyl)-1,3-dioxolane4360-63-855 % similar 2-Chloro-1,1-diethoxyethane621-62-548 % similar 2,2-Diethoxyethanol621-63-648 % similar Aminoacetaldehyde diethylacetal645-36-348 % similar 2-Bromo-1,1-dimethoxyethane7252-83-745 % similar Triethyl orthoformate122-51-045 % similar 3-Chloro-1,1-diethoxypropane35573-93-444 % similar

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

Elsewhere

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