2,3-Dichloro-5-(trifluoromethyl)pyridine CAS 69045-84-7
2,3-Dichloro-5-(trifluoromethyl)pyridine Basic information
| Product Name: | 2,3-Dichloro-5-(trifluoromethyl)pyridine |
| Synonyms: | DCTF;5,6-Dichloro-alpha,alpha,alpha-trifluoro-3-picoline;2,3- two-5- three fluorineMethyl pyridinechloride;2, 3 - dichloro - 5-3 Methyl pyridine;2,3-Dichloro-5-(trifluoromethyl)pyridine 97%;5-DCTF;BUTTPARK 45\10-37;2,3-DICHLORO-5-(TRIFLUOROMETHYL)PYRIDINE |
| CAS: | 69045-84-7 |
| MF: | C6H2Cl2F3N |
| MW: | 215.99 |
| EINECS: | 410-340-5 |
| Product Categories: | Pyridine series;Chloropyridines;Halopyridines;C6Heterocyclic Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Halides;Pyridines;Pyridine;Fluorine series;alkyl chloride;69045-84-7;john's |
| Mol File: | 69045-84-7.mol |
2,3-Dichloro-5-(trifluoromethyl)pyridine Chemical Properties
| Melting point | 8-9 °C |
| Boiling point | 80 °C20 mm Hg(lit.) |
| density | 1.549 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 175 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | soluble in Chloroform, Methanol |
| pka | -3.34±0.10(Predicted) |
| form | Liquid |
| Specific Gravity | 1.549 |
| color | Clear colorless to yellow |
| InChI | InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H |
| InChIKey | ABNQGNFVSFKJGI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=C(C(F)(F)F)C=C1Cl |
| CAS DataBase Reference | 69045-84-7(CAS DataBase Reference) |
| EPA Substance Registry System | 2,3-Dichloro-5-(trifluoromethyl)pyridine (69045-84-7) |
Safety Information
| Hazard Codes | Xn,N,Xi |
| Risk Statements | 20/22-41-43-51/53-36/37/38 |
| Safety Statements | 24-26-37/39-61-36 |
| RIDADR | UN 3082 9/PG 3 |
| WGK Germany | 2 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29333990 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Inhalation Acute Tox. 4 Oral Aquatic Chronic 2 Eye Dam. 1 Skin Sens. 1 |
| Chemical Properties | Light yellow liquid |
| Uses | 2,3-Dichloro-5-(trifluoromethyl)pyridine is a reactant that has been used in the synthesis of a 17b-HSD1 inhibitor. |
| General Description | 2,3-Dichloro-5-(trifluoromethyl)pyridine is reported as an intermediate of herbicide. Synthesis of 2,3-dichloro-5-(trifluoromethyl)pyridine has been reported. Palladium-catalyzed monoalkoxycarbonylation of 2,3-dichloro-5-(trifluoromethyl)pyridine has been reported. |
| Synthesis | 69045-83-6 69045-84-7 General procedure for the synthesis of 2,3-dichloro-5-trichloromethylpyridine from 2,3-dichloro-5-trichloromethylpyridine: 26.5 g (0.1 mol) of 2,3-dichloro-5-trichloromethylpyridine and 0.2 g of tungsten hexachloride were added to a reactor, which was heated to 170 °C under atmospheric pressure. Subsequently, about 20 g of hydrogen fluoride was slowly added. The reaction was terminated when the composition of the reaction product no longer changed. The unreacted hydrogen fluoride was recovered by condensation and the generated hydrogen chloride was removed by absorption. The reaction solution was cooled to room temperature and then transferred to an autoclave, heated to 180°C, maintained at a pressure of 0.2 MPa, and reacted for 5 hours. After completion of the reaction, the reaction mixture was cooled and sampled for analysis. The results showed that the product contained 94% of 2,3-dichloro-5-trifluoromethylpyridine and 92% purity. |
| References | [1] Patent: CN106397309, 2017, A. Location in patent: Paragraph 0023; 0024; 0025; 0025; 0026-0030 [2] Heterocycles, 1984, vol. 22, # 1, p. 117 - 124 [3] Patent: WO2014/198278, 2014, A1. Location in patent: Page/Page column 8; 9; 12 [4] Patent: CN104557683, 2016, B. Location in patent: Paragraph 0021; 0022 [5] Patent: US4590279, 1986, A |
2,3-Dichloro-5-(trifluoromethyl)pyridine Preparation Products And Raw materials
| Raw materials | Hydrogen fluoride-->2-Amino-5-methylpyridine-->2-Chloro-5-methylpyridine-->2-Chloro-5-trichloromethylpyridine-->2,3-Dichloro-5-(trichloromethyl)pyridine-->Propanal, 2,2-dichloro-3,3,3-trifluoro--->Antimony trifluoride-->2,6-Dichloromethyl pyridine hydrochloride-->Tungsten(VI) Chloride-->3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE-->Nickel-->3-Picoline-->Nicotinic acid-->Acrylonitrile |
| Preparation Products | 3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE-->2,5,6-TRICHLORO-3-TRIFLUOROMETHYLPYRIDINE-->2,6-Dichloro-3-(trifluoromethyl)pyridine-->2-(3-chloro-5-(trifluoroMethyl)pyridin-2-yl)ethanaMine-->1-[3-CHLORO-5-(TRIFLUOROMETHYL)PYRID-2-YL]PIPERAZINE |
