chempirical

(1,1'-Biphenyl)-4-sulphonyl chloride

C12H9ClO2SCAS 1623-93-4252.71 g/mol

Open in Covalent MOL file
OSOCl

Properties

Molecular formula
C12H9ClO2S
Molar mass
252.71 g/mol
Exact mass
252.0012 Da
Melting point
114–115 °C
logP
3.28Crippen 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
1623-93-4
SMILES
O=S(=O)(Cl)c1ccc(-c2ccccc2)cc1
InChIKey
ALBQXDHCMLLQMB-UHFFFAOYSA-N
InChI
InChI=1S/C12H9ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

Weigh it out

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

Names and synonyms

8 names
  • [1,1′-Biphenyl]-4-sulfonyl chloride
  • 4-Biphenylsulfonyl chloride
  • 4-(Chlorosulfonyl)biphenyl
  • p-Phenylbenzenesulfonyl chloride
  • (4-Biphenylyl)sulfonyl chloride
  • 4-Phenylbenzenesulfonic acid chloride
  • 4-Phenylbenzenesulfonyl chloride
  • p-Biphenylsulfonyl chloride

Work with (1,1'-Biphenyl)-4-sulphonyl 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 dichloride3406-84-682 % similar Benzenesulfonyl chloride98-09-974 % similar 4'-Chlorobiphenyl-4-sulfonyl chloride20443-74-767 % similar 4'-Fluoro[1,1'-biphenyl]-4-sulfonyl chloride116748-66-464 % similar 4-Phenoxybenzene-1-sulfonyl chloride1623-92-362 % similar 4-Chlorobenzenesulfonyl chloride98-60-256 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-154 % similar 4-Fluorobenzenesulfonyl chloride349-88-254 % 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 4-Chlorophenyl phenyl sulfone80-00-2

Elsewhere

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