Dichloroacetaldehyde diethyl acetal

C₆H₁₂Cl₂O₂CAS 619-33-0187.06 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₆H₁₂Cl₂O₂
Molar mass: 187.06 g/mol
Exact mass: 186.0214 Da
Density: 1.157 g/mL (at 25 °C)
Boiling point: 183.5 °C
logP: 2.19Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation93% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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

619-33-0

SMILES

CCOC(OCC)C(Cl)Cl

InChIKey

CDHLQZJRWKQATP-UHFFFAOYSA-N

InChI

InChI=1S/C6H12Cl2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

Ethane, 1,1-dichloro-2,2-diethoxy-
Acetaldehyde, dichloro-, diethyl acetal
1,1-Dichloro-2,2-diethoxyethane
2,2-Dichloro-1,1-diethoxyethane

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

Similar compounds

Glycidaldehyde diethyl acetal13269-77-748 % similar Triethyl orthoformate122-51-045 % similar 1,2-Dichloro-1-ethoxyethane623-46-144 % similar 2-Chloro-1,1-diethoxyethane621-62-542 % similar 1,1-Diethoxyethane105-57-741 % similar 1,1,3,3-Tetraethoxypropane122-31-641 % similar 3-Chloro-1,1-diethoxypropane35573-93-438 % similar Dimethylformamide diethylacetal1188-33-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Bis(2-chloroethoxy)ethane112-26-5

Elsewhere

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