chempirical

2,2′,5,5′-Tetrachlorobiphenyl

C12H6Cl4CAS 35693-99-3291.98 g/mol

Open in Covalent MOL file
ClClClCl
Aryl halide

Properties

Molecular formula
C12H6Cl4
Molar mass
291.98 g/mol
Exact mass
289.9224 Da
Melting point
84–85 °C
logP
5.97Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
35693-99-3
SMILES
Clc1ccc(Cl)c(-c2cc(Cl)ccc2Cl)c1
InChIKey
HCWZEPKLWVAEOV-UHFFFAOYSA-N
InChI
InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H

Weigh it out

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

Names and synonyms

8 names
  • 1,1′-Biphenyl, 2,2′,5,5′-tetrachloro-
  • 2,2′,5,5′-Tetrachloro-1,1′-biphenyl
  • 2,2′,5,5′-TCB
  • PCB 52
  • 2,5,2′,5′-Tetrachlorobiphenyl
  • K 52
  • CB 52
  • CB 52 (polychlorinated biphenyl)

Work with 2,2′,5,5′-Tetrachlorobiphenyl

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

Pcb 3116606-02-373 % similar 1,2,4-Trichlorobenzene120-82-165 % similar 2-Bromo-1,4-dichlorobenzene1435-50-354 % similar 2,5-Dichlorotoluene19398-61-954 % similar 1,4-Dichloro-2-iodobenzene29682-41-554 % similar 2,5-Dichlorophenol583-78-854 % similar 2,5-Dichlorobenzenethiol5858-18-454 % similar 2,5-Dichloroaniline95-82-954 % similar

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

Elsewhere

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