chempirical

4-Bromobenzenesulfonyl chloride

C6H4BrClO2SCAS 98-58-8255.51 g/mol

Open in Covalent MOL file
OSOClBr
Aryl halide

Properties

Molecular formula
C6H4BrClO2S
Molar mass
255.51 g/mol
Exact mass
253.8804 Da
Melting point
76 °C
Boiling point
180 °C (at 30 Torr)
logP
2.38Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
98-58-8
SMILES
O=S(=O)(Cl)c1ccc(Br)cc1
InChIKey
KMMHZIBWCXYAAH-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

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Names and synonyms

12 names
  • Benzenesulfonyl chloride, 4-bromo-
  • Benzenesulfonyl chloride, p-bromo-
  • p-Bromobenzenesulfonyl chloride
  • p-Bromophenylsulfonyl chloride
  • Brosyl chloride
  • p-Brosyl chloride
  • 4-Bromophenylsulfonyl chloride
  • (4-Bromophenyl)chlorosulfone
  • NSC 4506
  • 4-Bromobenzene-1-sulfonyl chloride
  • 4′-Bromobenzenesulfonyl chloride
  • 4-Bromo-phenylsulphonylchloride

Work with 4-Bromobenzenesulfonyl 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

[1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-663 % similar 4-Chlorobenzenesulfonyl chloride98-60-258 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-156 % similar 4-Fluorobenzenesulfonyl chloride349-88-256 % similar 4-Toluenesulfonyl chloride98-59-956 % similar 4-Iodobenzenesulfonyl chloride98-61-356 % similar [1,1′-Biphenyl]-4-sulfonyl chloride1623-93-454 % similar 4′-Chloro[1,1′-biphenyl]-4-sulfonyl chloride20443-74-752 % similar

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

Elsewhere

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