chempirical

4'-Chlorobiphenyl-4-sulfonyl chloride

C12H8Cl2O2SCAS 20443-74-7287.15 g/mol

Open in Covalent MOL file
OSOClCl
Aryl halide

Properties

Molecular formula
C12H8Cl2O2S
Molar mass
287.15 g/mol
Exact mass
285.9622 Da
Melting point
104–106 °C
logP
3.93Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
20443-74-7
SMILES
O=S(=O)(Cl)c1ccc(-c2ccc(Cl)cc2)cc1
InChIKey
NWYUSJMIHFIMTA-UHFFFAOYSA-N
InChI
InChI=1S/C12H8Cl2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H

Weigh it out

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

Names and synonyms

5 names
  • 4′-Chloro[1,1′-biphenyl]-4-sulfonyl chloride
  • [1,1′-Biphenyl]-4-sulfonyl chloride, 4′-chloro-
  • 4-Biphenylsulfonyl chloride, 4′-chloro-
  • 4′-Chloro-4-biphenylsulfonyl chloride
  • 4-(4-Chlorophenyl)benzenesulfonyl chloride

Work with 4'-Chlorobiphenyl-4-sulfonyl chloride

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-Chlorobenzenesulfonyl chloride98-60-287 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-678 % similar (1,1'-Biphenyl)-4-sulphonyl chloride1623-93-467 % similar 4,4′-Bis[(4-chlorophenyl)sulfonyl]-1,1′-biphenyl22287-56-563 % similar 4'-Fluoro[1,1'-biphenyl]-4-sulfonyl chloride116748-66-462 % similar 6-Chloronaphthalene-2-sulfonyl chloride102153-63-958 % similar 3,5-Dichlorobenzenesulfonyl chloride705-21-554 % similar 3-Chlorobenzenesulfonyl chloride2888-06-453 % similar

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

Same formula

4,4′-Dichlorodiphenyl sulfone80-07-9 Fenticlor97-24-5

Elsewhere

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