chempirical

Chloroacetaldehyde dimethyl acetal

C4H9ClO2CAS 97-97-2124.56 g/mol

Open in Covalent MOL file
OClO
AcetalAlkyl halideEther

Properties

Molecular formula
C4H9ClO2
Molar mass
124.56 g/mol
Exact mass
124.0291 Da
Density
1.098 g/mL (at 20 °C)
Boiling point
127.5 °C
logP
0.84Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
97-97-2
SMILES
COC(CCl)OC
InChIKey
CRZJPEIBPQWDGJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Ethane, 2-chloro-1,1-dimethoxy-
  • Acetaldehyde, chloro-, dimethyl acetal
  • 2-Chloro-1,1-dimethoxyethane
  • 2-Chloroacetaldehyde dimethyl acetal
  • 1-Chloro-2,2-dimethoxyethane
  • 1,1-Dimethoxy-2-chloroethane
  • NSC 60388
  • 2,2-Dimethoxyethyl chloride

Work with Chloroacetaldehyde dimethyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,3,3-Tetramethoxypropane102-52-350 % similar 4-Chloro-1,1-dimethoxybutane29882-07-348 % similar 2-Chloro-1,1-diethoxyethane621-62-545 % similar 2-(Chloromethyl)-1,3-dioxolane2568-30-145 % 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

Same formula

2-Methoxyethoxymethyl chloride3970-21-6 2-(Chloroethoxy)ethanol628-89-7

Elsewhere

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