Pentachlorophenol
Also known as 2,3,4,5,6-Pentachlorophenol, Chlorophen, Lauxtol
Key facts
What buyers check first
- Appearance
- White monoclinic, crystalline solid
- Melting point
- 174 °C
- Boiling point
- 309 to 310
- Density
- 1.978 g/mL
- Solubility
- Solubility in water, g/100ml at 20 °C: 0.001
- HS code
- 290811
- Category
- Herbicides
- UN number
- UN 3155
What is Pentachlorophenol?
Plain description, key identifiers and synonyms
Pentachlorophenol is a chlorophenol that is phenol substituted by 5 chloro groups. It has a role as a human xenobiotic metabolite. It is a chlorophenol, an organochlorine pesticide, a member of pentachlorobenzenes and an aromatic fungicide. It is functionally related to a pentachlorobenzene. It is a conjugate acid of a pentachlorophenolate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2,3,4,5,6-pentachlorophenol
- CAS number
- 87-86-5 CAS number cross-checked
- EC number
- 201-778-6
- Molecular formula
- C6HCl5O
- UNII
- D9BSU0SE4T
- MDL number
- MFCD00002162
- InChIKey
- IZUPBVBPLAPZRR-UHFFFAOYSA-N
- InChI
- InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
- SMILES (canonical and isomeric)
- C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
Synonyms
- 2,3,4,5,6-Pentachlorophenol
- Chlorophen
- Lauxtol
- Penchlorol
- Permite
- Peratox
- Pentachlorophenate
- Permacide
- Permagard
- Santophen
- Dowicide 7
- Durotox
- Fungifen
- Liroprem
- Pentacon
- Permasan
- Sinituho
- Penwar
- Phenol, pentachloro-
- Santophen 20
- Glazd penta
- Grundier arbezol
- Penta-Kil
- Chem-Tol
- Term-i-trol
Show all 39 synonymsShow fewer synonyms
- Chlon
- Pentachlorofenol
- Pentachlorphenol
- Preventol P
- Thompson's wood fix
- PCP (pesticide)
- Permatox penta
- Lauxtol A
- Dowicide EC-7
- Pentaclorofenolo
- Penta ready
- Woodtreat A
- Chem-Penta
- Penta wr
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | White monoclinic, crystalline solidexp.Measured value |
|---|---|
| Odour | Phenolic odorexp.Measured value |
| Taste | Taste threshold of 30 ug/Lexp.Measured value |
| Melting point | 174 °Cexp.Measured value |
| Boiling point | 309 to 310exp.Measured value |
| Density | 1.978 g/mLexp.Measured value |
| Autoignition temperature | Not flammableexp.Measured value |
| Solubility | Solubility in water, g/100ml at 20 °C: 0.001exp.Measured value |
| Vapour pressure | 1.10 × 10⁻⁴ mm Hg at 25 °Cexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 266.34 g/molcalc.Computed value |
|---|---|
| Exact mass | 263.847 Dacalc.Computed value |
| LogP (octanol/water) | 4.66calc.Computed value |
| Topological polar surface area | 20.23 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 12calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301Toxic if swallowed.
- H311Toxic in contact with skin.
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H330Fatal if inhaled.
- H335May cause respiratory irritation.
- H351Suspected of causing cancer.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (29)
- P203Obtain, read and follow all safety instructions before use.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P262Do not get in eyes, on skin, or on clothing.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P284In case of inadequate ventilation wear respiratory protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P316Get emergency medical help immediately.
- P318If exposed or concerned, get medical advice.
- P319Get medical help if you feel unwell.
- P320Specific treatment is urgent (see supplemental first aid instructions on the label).
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P391Collect spillage.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 3155
- Transport hazard class
- 6.1
- Packing group
- II
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidPentachlorophenol suppliers
Controlled substance, listings of documented suppliers only, in the documented ranking
Pentachlorophenol is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Licensed buyers only, every enquiry is reviewed by our compliance team.
Reference: Stockholm Convention on Persistent Organic Pollutants, HS 2022 subheading 2908.11 (pentachlorophenol)
Our policy on controlled substancesLicensed buyers can post a request for Pentachlorophenol with their licence. Our compliance team reviews it before suppliers see it.
Pentachlorophenol price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Only registered for use (in the US) as a heavy duty wood preservative.
Fungicide, bactericide, algicide, herbicide, as sodium pentachlorophenate, wood preservative (telephone poles, pilings, etc.).
As a molluscicide.
Pentachlorophenol was once one of the most widely used biocides in the United States, but it is now a restricted use pesticide and is no longer available to the general public.
Use classes: Herbicides, Antimicrobial agents, Pharmaceuticals.
Industries and functions
Pharmacological actions
- Environmental Pollutants
- Enzyme Inhibitors
- Herbicides
- Insecticides
- Pesticides
- Poisons
- Uncoupling Agents
Roles
- animal metabolite
- eukaryotic metabolite
- human metabolite
- human xenobiotic metabolite
- mammalian metabolite
- metabolite
- xenobiotic metabolite
Functional uses
- Biocide
How it is made
Prepared by the chlorination of 2,4,5-trichlorophenol.
Pentachlorophenol is produced commercially in the USA by direct chlorination of phenol with chlorine gas in the presence of a catalyst at gradually rising temperatures up to 200 °C. Other contaminants formed in pentachlorophenol production are isomers of hexa, hepta, and octachlorodibenzo-para-dioxin and isomers of tetra, penta, hexa, hepta, and octachlorodibenzofuran.
Pentachlorophenol is prepared either by catalytic chlorination of phenol or by alkaline hydrolysis of hexachlorobenzene.
Regulatory status
Inventories, regulations and trade controls that list this substance
Pentachlorophenol is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Licensed buyers only, every enquiry is reviewed by our compliance team.
Reference: Stockholm Convention on Persistent Organic Pollutants, HS 2022 subheading 2908.11 (pentachlorophenol)
Our policy on controlled substancesEurope
- EU harmonised classification (CLP Annex VI)Index no: 604-002-00-8
Health and food
- EU Cosmetics Regulation Annex II, prohibited in cosmeticsName: Pentachlorophenol [1], Sodium pentachlorophenolate [2], Potassium pentachlorophenolate [3], Ref no: 1012, Annex ref: II/1012
Agriculture and environment
- Stockholm Convention persistent organic pollutant
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Pentachlorophenol is traded under.
Pentachlorophenol (ISO)
- Netherlands72.3%
- France * partner reported12.7%
- Italy5.9%
- France * partner reported37.4%
- Germany21.3%
- Netherlands13.9%
* Partner reported figures, a lower bound.
The HS code shown for Pentachlorophenol is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Salt and hydrate forms
Records that share this compound as their parent
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about Pentachlorophenol, based on the data on this page
What is Pentachlorophenol?
What is the CAS number of Pentachlorophenol?
What is the molecular formula and weight of Pentachlorophenol?
What is Pentachlorophenol used for?
Is Pentachlorophenol hazardous?
What is the HS code of Pentachlorophenol?
Can I buy Pentachlorophenol on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Pentachlorophenol
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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