chempirical

2,3,4,5,6-Pentachlorobiphenyl

C12H5Cl5CAS 25429-29-2326.42 g/mol

Open in Covalent MOL file
ClClClClCl
Aryl halide

Properties

Molecular formula
C12H5Cl5
Molar mass
326.42 g/mol
Exact mass
323.8834 Da
Boiling point
168–175 °C (at 1 Torr)
logP
6.62Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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
25429-29-2
SMILES
C1=CC=C(C=C1)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChIKey
GGMPTLAAIUQMIE-UHFFFAOYSA-N
InChI
InChI=1S/C12H5Cl5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H

Weigh it out

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

Names and synonyms

11 names
  • Pentachlorobiphenyl
  • 1,1′-Biphenyl, pentachloro-
  • Biphenyl, pentachloro-
  • Pentachloro-1,1′-biphenyl
  • Pentachlorodiphenyl
  • Pyralene 1476
  • Kanekrol 500
  • Diphenyl pentachloride
  • Apirolio 1476C
  • Pyroclor 5
  • DP 5

Work with 2,3,4,5,6-Pentachlorobiphenyl

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

Hexaphenylbenzene992-04-156 % similar Azulene275-51-450 % similar 2,3,4,5-Tetraphenylthiophene1884-68-048 % similar 9,10-Diphenylanthracene1499-10-148 % similar 1,2,3,4-Tetrachloronaphthalene20020-02-448 % similar 2,3-Dichlorobiphenyl16605-91-746 % similar 9,10-Diphenylphenanthrene602-15-345 % similar 1,2,3,4-Tetraphenylnaphthalene751-38-245 % similar

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

Elsewhere

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