4,4′-Dichlorodiphenyl sulfone

C₁₂H₈Cl₂O₂SCAS 80-07-9287.15 g/mol

Open in Covalent MOL file

Aryl halide Sulfone

Properties

Molecular formula: C₁₂H₈Cl₂O₂S
Molar mass: 287.15 g/mol
Exact mass: 285.9622 Da
Melting point: 147.9 °C
Boiling point: 186–187 °C (at 0.7 Torr)
Water solubility: < 1 g/L (20 °C)
logP: 3.83Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H319 Causes serious eye irritation55.1% of notifiers
H411 Toxic to aquatic life with long lasting effects48.6% of notifiers

Aggregated from 243 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501

Identifiers

CAS number

80-07-9

SMILES

O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChIKey

GPAPPPVRLPGFEQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H

Weigh it out

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

Names and synonyms

18 names · show all

4,4'-Dichlorodiphenyl sulfone
Benzene, 1,1′-sulfonylbis[4-chloro-
Sulfone, bis(p-chlorophenyl)
1,1′-Sulfonylbis[4-chlorobenzene]
4-Chloro-1-(4-chlorophenylsulfonyl)benzene
Bis(4-chlorophenyl) sulfone
p,p′-Dichlorodiphenyl sulfone
Bis(p-chlorophenyl) sulfone
p-Chlorophenyl sulfone
4-Chlorophenyl sulfone
Di-p-chlorophenyl sulfone
B 0810
NSC 23899
NSC 38759
NSC 50730
NSC 7207
1-Chloro-4-(4-chlorophenyl)sulfonylbenzene
1-Chloro-4-(4-chlorobenzenesulfonyl)benzene

Work with 4,4′-Dichlorodiphenyl sulfone

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

4,4′-Bis[(4-chlorophenyl)sulfonyl]-1,1′-biphenyl22287-56-586 % similar 4-Chlorophenyl phenyl sulfone80-00-282 % similar Tetradifon116-29-061 % similar 4-Chlorobenzenesulfonyl chloride98-60-258 % similar 1-Chloro-4-(methylsulfonyl)benzene98-57-756 % similar 4-Chlorobenzenesulfonamide98-64-656 % similar 4-Chlorobenzenesulfonic acid98-66-856 % similar 1,4-Dichlorobenzene106-46-750 % similar

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

Same formula

4'-Chlorobiphenyl-4-sulfonyl chloride20443-74-7 Fenticlor97-24-5

Elsewhere

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