Pentachlorobenzene
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
- Water solubility
- 831 µg/L (25 °C)
- logP
- 4.95Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H228 Flammable solidFlammable solids
- H302 Harmful if swallowedAcute toxicity, oral
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 602-074-00-5), via PubChem.
Precautionary statements
P210, P240, P241, P264, P270, P273, P280, P301+P317, P330, P370+P378, P391, P501
Identifiers
CAS number
608-93-5SMILES
Clc1cc(Cl)c(Cl)c(Cl)c1ClInChIKey
CEOCDNVZRAIOQZ-UHFFFAOYSA-NInChI
InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1HWeigh 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.