Pentachlorophenol
Properties
- Molecular formula
- C6HCl5O
- Molar mass
- 266.32 g/mol
- Exact mass
- 263.8470 Da
- Density
- 1.978 g/mL (at 22 °C)
- Melting point
- 191 °C
- Boiling point
- 309.5 °C
- pKa
- 4.7
- Water solubility
- 10 mg/L (20 °C)
- logP
- 4.66Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H351 Suspected of causing cancerCarcinogenicity
- 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 604-002-00-8), via PubChem.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
87-86-5SMILES
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1ClInChIKey
IZUPBVBPLAPZRR-UHFFFAOYSA-NInChI
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
34 names · show all
- Permasan
- Fungifen
- Phenol, 2,3,4,5,6-pentachloro-
- Phenol, pentachloro-
- 2,3,4,5,6-Pentachlorophenol
- Dowicide 7
- PCP (pesticide)
- Penchlorol
- Penta
- EP 30
- Liroprem
- Grundier arbezol
- Lauxtol
- Santophen 20
- PCP
- Preventol P
- Chlon
- PKhF
- Woodtreat A
- Pol nu
- Dura treet II
- 1-Hydroxypentachlorobenzene
- Witophen P
- Pole topper
- Pole topper fluid
- Chlorophenasic acid
- Pentor 70
- Penton 70
- 1-Hydroxy-2,3,4,5,6-pentachlorobenzene
- EP 30 (pesticide)
- Dowicide EC 7
- NSC 263497
- Satophen
- Perchlorophenol
Work with Pentachlorophenol
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Tetrachloro-p-hydroquinone87-87-692 % similar
Tetrachlorocatechol1198-55-685 % similar
2,3,5,6-Tetrachlorophenol935-95-553 % similar
Hexachlorobenzene118-74-150 % similar
2,3,4,6-Tetrachlorophenol58-90-248 % similar
2,3,6-Trichlorophenol933-75-543 % similar
Octachloronaphthalene2234-13-140 % similar
2-Chloro-3,6-difluorophenol261762-50-939 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.