4,4′-Difluorodiphenyl sulfone

C12H8F2O2SCAS 383-29-9254.25 g/mol

Open in Covalent MOL file
OSOFF
Aryl halideSulfone

Properties

Molecular formula
C12H8F2O2S
Molar mass
254.25 g/mol
Exact mass
254.0213 Da
Melting point
97–98 °C
logP
2.80Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
383-29-9
SMILES
O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIKey
PLVUIVUKKJTSDM-UHFFFAOYSA-N
InChI
InChI=1S/C12H8F2O2S/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

12 names
  • Benzene, 1,1′-sulfonylbis[4-fluoro-
  • Sulfone, bis(p-fluorophenyl)
  • 1,1′-Sulfonylbis[4-fluorobenzene]
  • Bis(p-fluorophenyl) sulfone
  • 4-Fluorophenylsulfone
  • Bis(4-fluorophenyl)sulfone
  • NSC 87584
  • D 0537
  • NSC 683542
  • 4,4′-Sulfonylbis(fluorobenzene)
  • 4,4′-Fluorodiphenyl sulfone
  • 1-Fluoro-4-(4-fluorophenyl)sulfonylbenzene

Work with 4,4′-Difluorodiphenyl 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-Fluorobenzenesulfonyl chloride349-88-256 % similar 4-Fluorobenzenesulfonic acid368-88-756 % similar 4-Fluorobenzenesulfonamide402-46-056 % similar 4-Fluorophenyl methyl sulfone455-15-256 % similar 4'-Fluoro[1,1'-biphenyl]-4-sulfonyl chloride116748-66-450 % similar Diphenyl sulfone127-63-950 % similar 1,4-Difluorobenzene540-36-350 % similar 4,4′-Dichlorodiphenyl sulfone80-07-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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