1-Bromo-2,2-dimethoxypropane

C5H11BrO2CAS 126-38-5183.04 g/mol

Open in Covalent MOL file
OBrO
AcetalAlkyl halideEther

Properties

Molecular formula
C5H11BrO2
Molar mass
183.04 g/mol
Exact mass
181.9942 Da
Boiling point
81–83 °C (at 70 Torr)
logP
1.39Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 47 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
126-38-5
SMILES
COC(C)(CBr)OC
InChIKey
SGTITUFGCGGICE-UHFFFAOYSA-N
InChI
InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3

Weigh it out

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

Names and synonyms

3 names
  • Bromoacetone dimethyl ketal
  • Propane, 1-bromo-2,2-dimethoxy-
  • 2-Propanone, bromo-, dimethyl acetal

Work with 1-Bromo-2,2-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

1,3-Dibromo-2,2-dimethoxypropane22094-18-452 % similar 1-Bromo-2,2-dimethylpropane630-17-138 % similar 2-Bromoisobutyl bromide594-34-336 % similar 3-(Bromomethyl)-3-methyloxetane78385-26-936 % similar Trimethyl orthoacetate1445-45-033 % similar Methyl tert-butyl ether1634-04-433 % similar 2,2-Dimethoxypropane77-76-933 % similar tert-Amyl methyl ether994-05-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-1,1-dimethoxypropane36255-44-4 1-Bromo-2-(2-methoxyethoxy)ethane54149-17-6

Elsewhere

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