2,3,4,5,6-pentachlorophenol
C6HCl5O
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Identification
- CAS Number
- 87-86-5
- EC Number
- 201-778-6
- UN Number
- 3155
- Index Number
- 604-002-00-8
- PubChem CID
- 992
Physical-chemical properties
- Molecular Formula
- C6HCl5O
- Molar Mass
- 266.30 g/mol
- IUPAC Name
- 2,3,4,5,6-pentachlorophenol
Chemical Identifiers
- InChI
- InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
- InChI Key
- IZUPBVBPLAPZRR-UHFFFAOYSA-N
Overview
2,3,4,5,6-pentachlorophenol (CAS 87-86-5) is a highly chlorinated phenolic compound with potent biocidal properties and significant environmental persistence. This organochlorine compound represents one of the most extensively chlorinated phenol derivatives, featuring five chlorine atoms substituted on the benzene ring adjacent to a hydroxyl group. With its molecular formula C6HCl5O and molecular weight of 266.3 g/mol, pentachlorophenol exhibits exceptional chemical stability and resistance to biodegradation. The compound appears as white to light brown crystalline solid with a characteristic phenolic odor, demonstrating high lipophilicity that facilitates bioaccumulation in fatty tissues. The extensive chlorination pattern of pentachlorophenol results in enhanced biocidal efficacy compared to less chlorinated phenolic compounds, making it historically significant in preservation applications. However, this same structural feature contributes to its classification under multiple hazard categories, including carcinogenicity (Category 2), acute toxicity, and environmental hazards. The substance requires careful handling protocols due to its GHS08, GHS06, and GHS09 pictogram classifications, with ADR transport class 6.1 designation reflecting its toxic nature. Industrial applications primarily center on wood preservation, where pentachlorophenol functions as an effective fungicide and insecticide for utility poles, railroad ties, and marine pilings. The compound also finds use in specialized biocidal formulations and as an intermediate in pharmaceutical synthesis. Related compounds such as sodium 2,3,4,5,6-pentachlorophenolate serve similar preservation functions with modified solubility profiles. OYSI maintains technical-grade pentachlorophenol availability for qualified industrial customers requiring this specialized organochlorine compound for approved applications.
Safety & Classification
Carc. 2; Acute Tox. 2 *; Acute Tox. 3 *; Acute Tox. 3 *; STOT SE 3; Skin Irrit. 2; Eye Irrit. 2; ...
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Inhalation
Measures if vapours or dust are inhaled
Skin Contact
Measures if substance contacts the skin
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3155 |
| ADR Class | 6.1 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Pentachlorphenol, rein |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2,3,4,5,6-pentachlorophenol?
2,3,4,5,6-pentachlorophenol is a chlorinated aromatic compound with the molecular formula C6HCl5O and CAS number 87-86-5. This substance has a molecular weight of 266.3 g/mol and belongs to the phenol family, where five chlorine atoms are substituted on the benzene ring. It is classified as a hazardous chemical with multiple danger classifications including carcinogenicity category 2 and acute toxicity. The substance requires careful handling due to its significant health and environmental risks.
What are the physicochemical properties of 2,3,4,5,6-pentachlorophenol?
2,3,4,5,6-pentachlorophenol is typically a white to light brown crystalline solid at room temperature with a characteristic phenolic odor. Due to its highly chlorinated structure, it has low water solubility but is soluble in organic solvents such as alcohols and acetone. The compound is stable under normal conditions but may decompose at high temperatures, potentially releasing toxic chlorinated compounds. Its high chlorine content gives it significant persistence in the environment.
What is 2,3,4,5,6-pentachlorophenol used for?
2,3,4,5,6-pentachlorophenol is primarily used as a fungicide and wood preservative in industrial applications due to its strong antimicrobial properties. It serves as an intermediate in the synthesis of other chlorinated compounds and specialty chemicals. The substance is also utilized in certain analytical applications and research settings. However, its use has become increasingly restricted due to environmental and health concerns, with many applications being phased out in favor of safer alternatives.
How to handle 2,3,4,5,6-pentachlorophenol safely?
2,3,4,5,6-pentachlorophenol requires strict safety measures including wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and ensure emergency shower and eyewash stations are readily accessible. All personnel handling this substance should be trained in proper procedures and emergency response protocols due to its high toxicity.
How to store 2,3,4,5,6-pentachlorophenol correctly?
2,3,4,5,6-pentachlorophenol should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. The substance must be kept in tightly sealed, labeled containers made of appropriate materials to prevent contamination and release. Storage areas should be equipped with secondary containment measures and restricted access due to the material's toxicity. Avoid storage near oxidizing agents, strong bases, and food or feed materials to prevent dangerous reactions or contamination.
What to do in case of contact with 2,3,4,5,6-pentachlorophenol?
Immediate action is required upon contact with 2,3,4,5,6-pentachlorophenol due to its high toxicity. For skin contact, immediately remove contaminated clothing and rinse the affected area with plenty of water for at least 15 minutes. In case of eye contact, flush with clean water for at least 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. Seek medical attention promptly in all cases of exposure, and provide the safety data sheet to medical personnel.
How to dispose of 2,3,4,5,6-pentachlorophenol appropriately?
2,3,4,5,6-pentachlorophenol must be disposed of as hazardous waste through licensed waste management facilities specialized in handling toxic chemicals. The substance cannot be disposed of in regular waste streams or sewage systems due to its environmental persistence and toxicity. Disposal must comply with local, national, and EU regulations regarding hazardous waste. Incineration at high temperatures in specialized facilities is typically the preferred disposal method, ensuring complete destruction of the chlorinated compound.
How to transport 2,3,4,5,6-pentachlorophenol?
2,3,4,5,6-pentachlorophenol is classified under ADR class 6.1 (toxic substances) packing group II, indicating high toxicity requiring special transport precautions. The substance must be packaged in UN-approved containers with appropriate labeling including GHS pictograms GHS06, GHS08, and GHS09. Transport vehicles must carry proper documentation, emergency response information, and drivers require hazardous materials training. All transport must comply with ADR regulations for toxic substances to ensure safety during transit.
Is 2,3,4,5,6-pentachlorophenol subject to specific regulations?
2,3,4,5,6-pentachlorophenol is subject to extensive regulations under EU REACH and CLP regulations due to its classification as carcinogenic category 2 and highly toxic. The substance requires registration, authorization procedures, and strict labeling requirements including the danger signal word and specific hazard pictograms. Many uses are restricted or banned in consumer products, and industrial applications require specific risk management measures. Companies must maintain detailed safety data sheets and ensure compliance with occupational exposure limits.
Where to buy 2,3,4,5,6-pentachlorophenol in Europe?
2,3,4,5,6-pentachlorophenol is available through specialized chemical distributors in Europe, including OYSI, which serves as a reliable supplier of technical chemicals across European markets. Due to its hazardous classification and regulatory requirements, purchases are typically restricted to qualified industrial users with proper licensing and safety infrastructure. Buyers must demonstrate compliance with REACH regulations and provide documentation of intended use. Contact authorized distributors like OYSI for availability, technical specifications, and regulatory compliance support.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.