chempirical

Pentachlorobenzene

C6HCl5CAS 608-93-5250.32 g/mol

Open in Covalent MOL file
ClClClClCl
Aryl halide

Properties

Molecular formula
C6HCl5
Molar mass
250.32 g/mol
Exact mass
247.8521 Da
Density
1.8342 g/mL (at 16.5 °C)
Melting point
86 °C
Boiling point
277 °C
logP
4.95Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
608-93-5
SMILES
Clc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIKey
CEOCDNVZRAIOQZ-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1,2,3,4,5-pentachloro-
  • Benzene, pentachloro-
  • 1,2,3,4,5-Pentachlorobenzene
  • QCB
  • NSC 1857
  • 2,3,4,5,6-Pentachlorobenzene

Work with Pentachlorobenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,4,5-Tetrachlorophenol4901-51-360 % similar 2,3,4,6-Tetrachlorophenol58-90-260 % similar 2,3,5,6-Tetrachloroaniline3481-20-758 % similar 2,3,5,6-Tetrachlorophenol935-95-558 % similar 1,2,4,5-Tetrachlorobenzene95-94-357 % similar 1,2,3,4-Tetrachlorobenzene634-66-256 % similar 1,2,3,5-Tetrachlorobenzene634-90-256 % similar 1,2,3-Trichlorobenzene87-61-653 % similar

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

Elsewhere

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