3,4′-Dichlorodiphenyl ether

C₁₂H₈Cl₂OCAS 6842-62-2239.10 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₂H₈Cl₂O
Molar mass: 239.10 g/mol
Exact mass: 237.9952 Da
Melting point: −10 °C
Boiling point: 113 °C (at 0.5 Torr)
logP: 4.79Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed57.6% of notifiers
H315 Causes skin irritation57.6% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, P501

Identifiers

CAS number

6842-62-2

SMILES

Clc1ccc(Oc2cccc(Cl)c2)cc1

InChIKey

HPRGYUWRGCTBAV-UHFFFAOYSA-N

InChI

InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H

Weigh it out

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

Names and synonyms

5 names

Benzene, 1-chloro-3-(4-chlorophenoxy)-
Ether, m-chlorophenyl p-chlorophenyl
1-Chloro-3-(4-chlorophenoxy)benzene
PCDE 13
3,4'-Dichlorodiphenyl ether

Work with 3,4′-Dichlorodiphenyl ether

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

Chlorophenoxybenzene55398-86-271 % similar 4-Chlorophenyl phenyl ether7005-72-371 % similar 4-(4-Chlorophenoxy)benzenamine101-79-154 % similar 4-(4-Chlorophenoxy)phenol21567-18-054 % similar 3-Chloroanisole2845-89-854 % similar 1,3-Diphenoxybenzene3379-38-252 % similar 5-Chloro-2-(4-chlorophenoxy)benzenamine121-27-750 % similar 1-Chloro-3-(trifluoromethoxy)benzene772-49-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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