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| | 3,5,6-Trichloro-2-pyridinol Basic information |
| Product Name: | 3,5,6-Trichloro-2-pyridinol | | Synonyms: | 2(1H)-Pyridinone, 3,5,6-trichloro-;2(1H)-Pyridone, 3,5,6-trichloro-;2(1H)-pyridone,3,5,6-trichloro-;2-Pyridinol, 3,5,6-trichloro-;2-pyridinol,3,5,6-trichloro-;3,5,6 Trichloro 2-pyridinal;TCP;TRICHLORO PYRIDINOL | | CAS: | 6515-38-4 | | MF: | C5H2Cl3NO | | MW: | 198.43 | | EINECS: | 229-405-2 | | Product Categories: | Heterocycles;Metabolites & Impurities;Phosphorylating and Phosphitylating Agents;Pyridines;Alpha sort;Environmental Standards;MetabolitesPesticides&Metabolites;Pesticides&Metabolites;Q-ZAlphabetic;TP - TZ | | Mol File: | 6515-38-4.mol |  |
| | 3,5,6-Trichloro-2-pyridinol Chemical Properties |
| Melting point | 328-330°C | | Boiling point | 265℃ | | density | 1.955 | | refractive index | 1.556 | | Fp | 410℃ | | storage temp. | Inert atmosphere,2-8°C | | solubility | DMSO (Slightly), Methanol (Slightly) | | pka | 3.78±0.10(Predicted) | | form | Solid | | color | White to off-white | | Water Solubility | 0.22g/L(temperature not stated) | | Stability: | Stable. Incompatible with strong oxidizing agents. | | Major Application | agriculture
environmental | | InChI | 1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10) | | InChIKey | WCYYAQFQZQEUEN-UHFFFAOYSA-N | | SMILES | Oc1nc(Cl)c(Cl)cc1Cl | | CAS DataBase Reference | 6515-38-4(CAS DataBase Reference) | | NIST Chemistry Reference | 3,5,6-Trichloro-2-pyridinol(6515-38-4) | | EPA Substance Registry System | 3,5,6-Trichloro-2-pyridinol (6515-38-4) |
| Hazard Codes | Xn;N,N,Xn | | Risk Statements | 22-41-51/53 | | Safety Statements | 26-39-61 | | RIDADR | UN 3077 | | WGK Germany | 2 | | RTECS | UU7786700 | | HazardClass | 9 | | PackingGroup | Ⅲ | | HS Code | 2933399990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Dam. 1 |
| | 3,5,6-Trichloro-2-pyridinol Usage And Synthesis |
| Chemical Properties | powder | | Uses | A metabolite of Chlorpyrifos (C425300). | | Definition | ChEBI: A pyridone that is pyridin-2(1H)-one substituted by chloro groups at positions 3, 5 and 6. It is a metabolite of the agrochemical chlorpyrifos. | | Hazard | Moderately toxic by ingestion and skin contact. | | Synthesis | The general procedure for the synthesis of 3,5,6-trichloropyridin-2(1H)-one from 2,3,5,6-tetrachloropyridine: 2,3,5,6-tetrachloropyridine 43.4g (0.2 mol) and 240mL of deionized water were added into a three-necked flask, and the temperature was raised to 95℃ under stirring. Subsequently, 39.53 g (0.60 mol, 85% purity) of potassium hydroxide was slowly added and the pH of the reaction solution was adjusted to 9.5~10. Stirring was maintained at this temperature for 30 min, and the reaction was completed by filtration while hot to remove insoluble impurities. The filtrate was transferred to a 500 mL autoclave and 0.18 g of potassium hydroxide and benzyltrimethylammonium chloride were added as phase transfer catalyst. The autoclave was sealed, the reaction mixture was stirred and heated to 120 °C and kept at this temperature for 4.0 hours. At the end of the reaction, the reaction was cooled to 25 °C and the pH was adjusted to 4.0~4.5 with 15% hydrochloric acid solution. the reaction mixture was filtered and the resulting solid was washed with deionized water and dried to give 35.9 g of a white powdery product 3,5,6-trichloropyridin-2(1H)-one. The purity of the product was 99.08% by gas chromatography. | | References | [1] Synthetic Communications, 2004, vol. 34, # 16, p. 2903 - 2909
[2] Patent: CN108395398, 2018, A. Location in patent: Paragraph 0008-0011 |
| | 3,5,6-Trichloro-2-pyridinol Preparation Products And Raw materials |
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