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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| IUPAC name | 2,3,4,5,6-pentachlorophenol |
| canonical smiles | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O |
| inchi | InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
| inchi key | IZUPBVBPLAPZRR-UHFFFAOYSA-N |
| molecular formula | C6HCl5O |
| synonyms | |
| Compound Description |
| Molecular Weight: | 266.3 g/mol |
| XLogP3: | 5.1 |
| Hydrogen Bond Donor Count: | 1 |
| Hydrogen Bond Acceptor Count: | 1 |
| Rotatable Bond Count: | 0 |
| Exact Mass: | 265.844053 g/mol |
| Monoisotopic Mass: | 263.847003 g/mol |
| Topological Polar Surface Area: | 20.2 Ų |
| Heavy Atom Count: | 12 |
| Formal Charge: | 0 |
| Complexity: | 150 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| hazard signal | Danger |
| hazard classes and categories | |
| precautionary statement codes | 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, and P501 |
| hazard statements | |
| hazards summary | Pentachlorophenol is a manufactured chemical that does not occur naturally. Pure pentachlorophenol exists as colorless crystals. Impure pentachlorophenol (the form usually found at hazardous waste sites) is dark gray to brown and exists as dust, beads, or flakes. Humans are usually exposed to impure pentachlorophenol (also called technical grade pentachlorophenol). Pentachlorophenol was widely used as a pesticide and wood preservative. Since 1984, the purchase and use of pentachlorophenol has been restricted to certified applicators. It is no longer available to the general public. It is still used industrially as a wood preservative for utility poles, railroad ties, and wharf pilings.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. It was primarily used as a wood preservative. Pentachlorophenol is extremely toxic to humans from acute (short-term) ingestion and inhalation exposure. Acute inhalation exposures in humans have resulted in neurological, blood, and liver effects, and eye irritation. Chronic (long-term) exposure to pentachlorophenol by inhalation in humans has resulted in effects on the respiratory tract, blood, kidney, liver, immune system, eyes, nose, and skin. Human studies are inconclusive regarding pentachlorophenol exposure and reproductive effects. Human studies suggest an association between exposure to pentachlorophenol and cancer. Oral animal studies have reported increases in liver tumors and two uncommon tumor types. EPA has classified pentachlorophenol as a Group B2, probable human carcinogen.PCP causes the uncoupling of oxidative phosphorylation resulting in the release of cellular energy as heat. Technical grade PCP is contaminated with furans, dioxins, and other chlorinated congeners. Liver injury and mild and transient renal dysfunction associated with pentachlorophenol poisoning have been reported. In acute poisoning, PCP causes hyperpyrexia, vascular collapse, and acute renal failure. PCP has caused chloracne in exposed workers. TLV Basis: Irritation (upper respiratory and eye). Impairment (CNS and cardiovascular). Cases of aplastic anemia and leukemia were temporally associated with exposure to pentachlorophenol, but causality was not established. PCP was manufactured in the US from 1937 to 1980. Twenty percent of production workers developed chloracne as a result of high dioxin (TCDD) exposure. See TCDD. PCP was classified by the Working Group as carcinogenic to humans (Group 1), based on sufficient evidence that PCP causes non-Hodgkin lymphoma in humans. In all of the available epidemiological studies, exposure to PCP was positively associated with non-Hodgkin lymphoma. |
