2,2',5,5'-Tetrachlorobiphenyl

C₁₂H₆Cl₄CAS 35693-99-3291.98 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P273, P319, P391, P501

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

9 names

2,2′,5,5′-Tetrachlorobiphenyl
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-Dichlorofluorobenzene348-59-454 % similar 2,5-Dichlorophenol583-78-854 % similar 2,5-Dichlorobenzenethiol5858-18-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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