2-Bromo-1,1-dimethoxyethane

C4H9BrO2CAS 7252-83-7169.02 g/mol

Open in Covalent MOL file
OBrO
AcetalAlkyl halideEther

Properties

Molecular formula
C4H9BrO2
Molar mass
169.02 g/mol
Exact mass
167.9786 Da
Density
1.43 g/mL (at 20 °C)
Boiling point
149 °C
logP
1.00Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 78 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
7252-83-7
SMILES
COC(CBr)OC
InChIKey
FUSFWUFSEJXMRQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3

Weigh it out

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Names and synonyms

11 names
  • Ethane, 2-bromo-1,1-dimethoxy-
  • Acetaldehyde, bromo-, dimethyl acetal
  • Bromoacetaldehyde dimethyl acetal
  • 2,2-Dimethoxybromoethane
  • 2,2-Dimethoxyethyl bromide
  • 1-Bromo-2,2-dimethoxyethane
  • 2-Bromoacetaldehyde dimethyl acetal
  • 1,1-Dimethoxy-2-bromoethane
  • NSC 73700
  • 2,2-Dimethoxy-1-bromoethane
  • Bromoacetoaldehyde dimethyl acetal

Work with 2-Bromo-1,1-dimethoxyethane

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-Bromo-1,1-dimethoxypropane36255-44-452 % similar 1,1,3,3-Tetramethoxypropane102-52-350 % similar Bromoacetaldehyde diethyl acetal2032-35-145 % similar 2-(Bromomethyl)-1,3-dioxolane4360-63-845 % similar 2,5-Dimethoxytetrahydrofuran696-59-345 % similar Aminoacetaldehyde dimethyl acetal22483-09-643 % similar 1,1,2-Trimethoxyethane24332-20-543 % similar 2,2-Dimethoxyethanol30934-97-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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