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| | 3,4,5-Trichlorophenol Basic information |
| Product Name: | 3,4,5-Trichlorophenol | | Synonyms: | NSC 243667;3.4.5-Trichlor;3,4,5-trichloro-pheno;3,4,5-TRICHLOROPHENOL, 25MG, NEAT;3,4,5-Trichlorophenol 50mg [609-19-8];3,4,5-Trichlorophenol@1000 μg/mL in MeOH;3,4,5-Trichlorophenol @1000 μg/mL in Acetone;3,4,5-TrichlorophenolSolution,1000mg/L,1ml | | CAS: | 609-19-8 | | MF: | C6H3Cl3O | | MW: | 197.45 | | EINECS: | 210-183-0 | | Product Categories: | Alpha Sort;Analytical Standards;AromaticsChemical Class;Chemical Class;ChloroAnalytical Standards;Halogenated;PhenolsVolatiles/ Semivolatiles;TP - TZ;T-ZAlphabetic | | Mol File: | 609-19-8.mol |  |
| | 3,4,5-Trichlorophenol Chemical Properties |
| Melting point | 118-119℃ | | Boiling point | 275℃ | | density | 1.5701 (rough estimate) | | refractive index | 1.5300 (estimate) | | storage temp. | Inert atmosphere,Room Temperature | | solubility | Chloroform (Slightly, Heated) | | pka | pK1:7.839 (25°C) | | Appearance | Light brown to brown Solid | | Henry's Law Constant | 4.3×101 mol/(m3Pa) at 25℃, HSDB (2015) | | Stability: | Stable. Probably combustible. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides. | | Major Application | environmental | | InChI | InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H | | InChIKey | GBNHEBQXJVDXSW-UHFFFAOYSA-N | | SMILES | C1(O)=CC(Cl)=C(Cl)C(Cl)=C1 | | EPA Substance Registry System | 3,4,5-Trichlorophenol (609-19-8) |
| | 3,4,5-Trichlorophenol Usage And Synthesis |
| Chemical Properties | off-white crystalline solid | | Uses | 3,4,5-Trichlorophenol is a chlorinated phenol found in fungus. It also has possible toxic effects. | | General Description | Needles (from ligroin) or off-white solid. | | Air & Water Reactions | Insoluble in water. | | Reactivity Profile | 3,4,5-TRICHLOROPHENOL may be incompatible with acid chlorides, acid anhydrides and oxidizing agents. . | | Fire Hazard | Flash point data for 3,4,5-TRICHLOROPHENOL are not available; however, 3,4,5-TRICHLOROPHENOL is probably combustible. | | Synthesis | 3,4,5-Trichlorobenzenediazonium tetrafluoroborate (CAS: 2106-38-9, 9.62 g, 32.6 mmol, 1 eq.) was added to an aqueous solution (3.5 L) containing copper (II) nitrate trihydrate (450 g, 1.86 mol, 57 eq.) and copper(I) oxide (14.03 g, 98.1 mmol, 3 eq.) ) in water. The reaction mixture was stirred vigorously for 1 h at room temperature. After completion of the reaction, the solid was collected by filtration and washed with dichloromethane. The filtrate was extracted three times with dichloromethane, the organic phases were combined and dried with anhydrous magnesium sulfate. The dried organic phase was filtered and concentrated under reduced pressure to remove the solvent. The crude product was purified by silica gel column chromatography with the eluent being a solvent mixture of ethyl acetate/hexane ranging from 0 to 20%, resulting in 3,4,5-trichlorophenol as an orange-brown solid (3.199 g, 49% yield).1H NMR (CDCl3) δ 6.91 (s, 2H), 4.95 (br s, 1H). | | Purification Methods | Crystallise the phenol from pet ether/*benzene mixture. [Beilstein 6 III 729.] | | References | [1] Patent: WO2005/92835, 2005, A1. Location in patent: Page/Page column 38 |
| | 3,4,5-Trichlorophenol Preparation Products And Raw materials |
| Raw materials | 4-Chloro-2,6-dimethylphenol-->2,3,4,5-Tetrachlorophenol-->2,3,4,6-Tetrachlorophenol-->2,3,5,6-Tetrachlorophenol-->3,4,5-trichlorobenzenediazonium tetrafluoroborate-->COPPER ATOMIC SPECTROSCOPY STANDARD-->Cuprous oxide-->2,3,5-Trichlorophenol | | Preparation Products | Phenol, 2,2'-methylenebis[3,4,5-trichloro- |
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