4-Chlorophenyl phenyl sulfone

C12H9ClO2SCAS 80-00-2252.71 g/mol

Open in Covalent MOL file
OSOCl
Aryl halideSulfone

Properties

Molecular formula
C12H9ClO2S
Molar mass
252.71 g/mol
Exact mass
252.0012 Da
Melting point
94 °C
Boiling point
382–386 °C
Water solubility
insoluble
logP
3.17Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
80-00-2
SMILES
O=S(=O)(c1ccccc1)c1ccc(Cl)cc1
InChIKey
OFCFYWOKHPOXKF-UHFFFAOYSA-N
InChI
InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H

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Names and synonyms

11 names
  • Benzene, 1-chloro-4-(phenylsulfonyl)-
  • Sulfone, p-chlorophenyl phenyl
  • 1-Chloro-4-(phenylsulfonyl)benzene
  • R 242
  • 4-Chlorodiphenyl sulfone
  • p-Chlorophenyl phenyl sulfone
  • Sulphenone
  • Sulfenon
  • p-Chlorodiphenyl sulfone
  • NSC 404335
  • 1-(Benzenesulfonyl)-4-chlorobenzene

Work with 4-Chlorophenyl phenyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-Dichlorodiphenyl sulfone80-07-982 % similar 4,4′-Bis[(4-chlorophenyl)sulfonyl]-1,1′-biphenyl22287-56-572 % similar Diphenyl sulfone127-63-968 % similar Tetradifon116-29-053 % similar 4-Chlorobenzenesulfonyl chloride98-60-250 % similar 1-[4-(Benzenesulfonyl)phenyl]ethan-1-one65085-83-848 % similar 3-Benzenesulfonylthiophene16718-05-148 % similar 1-Chloro-4-(methylsulfonyl)benzene98-57-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-[(8-Chloro-1-naphthalenyl)thio]acetic acid129-94-2 (1,1'-Biphenyl)-4-sulphonyl chloride1623-93-4

Elsewhere

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