2-(4-Chlorophenyl)-1,3-dioxolane

C₉H₉ClO₂CAS 2403-54-5184.62 g/mol

Open in Covalent MOL file

Acetal Aryl halide Ether

Properties

Molecular formula: C₉H₉ClO₂
Molar mass: 184.62 g/mol
Exact mass: 184.0291 Da
Boiling point: 136–139 °C (at 13 Torr)
logP: 2.39Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

H412 Harmful to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P273, P501

Identifiers

CAS number

2403-54-5

SMILES

Clc1ccc(C2OCCO2)cc1

InChIKey

NYXNQWTXUSTEGL-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2

Weigh it out

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

Names and synonyms

9 names

1,3-Dioxolane, 2-(4-chlorophenyl)-
1,3-Dioxolane, 2-(p-chlorophenyl)-
2-(p-Chlorophenyl)-1,3-dioxolane
p-Chlorobenzaldehyde cyclic ethylene acetal
p-Chlorobenzaldehyde ethylene acetal
4-Chlorobenzaldehyde ethylene glycol acetal
4-Chlorobenzaldehyde ethylene acetal
NSC 202824
2-(4-Chlorophenyl)dioxolane

Work with 2-(4-Chlorophenyl)-1,3-dioxolane

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

2-(4-Bromophenyl)-1,3-dioxolane10602-01-456 % similar 4-Chlorostyrene oxide2788-86-556 % similar 4,4′-Dichlorobenzhydrol90-97-144 % similar 2-(3-Bromophenyl)-1,3-dioxolane17789-14-944 % similar 1,4-Dichlorobenzene106-46-743 % similar P,P'-Ddd72-54-843 % similar DDT50-29-341 % similar Cloperastine3703-76-241 % similar

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

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(2-Chlorophenyl)propionic acid1643-28-3 Benzyloxyacetyl chloride19810-31-2 3-(4-Chlorophenyl)propanoic acid2019-34-3 3-(3-Chlorophenyl)propanoic acid21640-48-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook