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| | 3,4,5-Trifluoroaniline Basic information | | Synthesis |
| Product Name: | 3,4,5-Trifluoroaniline | | Synonyms: | 3,4,5-TRIFLUOROANILINE;Benzenamine, 3,4,5-trifluoro- (9CI);3,4,5-Trifluoroaniline 98%;3,4,5-Trifluoroaniline98%;3,4,5-Trifluroaniline;3,4,5-Trifluoroanili;(3,4,5-trifluorophenyl)-(7-MethoxyMethyl-[1,4]-dioxano[2,3-g]quinazolin-4-yl)-aMine;3,4,5-Trifluoroaniline, 97+% | | CAS: | 163733-96-8 | | MF: | C6H4F3N | | MW: | 147.1 | | EINECS: | 605-341-4 | | Product Categories: | Amines;C2 to C6;Nitrogen Compounds;HALIDE;Fluoro-Aromatics;Anilines, Aromatic Amines and Nitro Compounds | | Mol File: | 163733-96-8.mol |  |
| | 3,4,5-Trifluoroaniline Chemical Properties |
| Melting point | 61-64 °C (lit.) | | Boiling point | 100.5°C (rough estimate) | | density | 1.3510 (estimate) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 2.63±0.10(Predicted) | | color | White to Almost white | | Water Solubility | Soluble in methanol (almost transparency). Insoluble in water. | | BRN | 4977254 | | InChI | InChI=1S/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2 | | InChIKey | SZRDJHHKIJHJHQ-UHFFFAOYSA-N | | SMILES | C1(N)=CC(F)=C(F)C(F)=C1 | | CAS DataBase Reference | 163733-96-8(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-41-38-21/22 | | Safety Statements | 26-36-36/37/39 | | RIDADR | UN2941 | | WGK Germany | 3 | | Hazard Note | Irritant | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29214200 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3,4,5-Trifluoroaniline Usage And Synthesis |
| Synthesis | At room temperature, 300 mg (0.6 mmol) of the complex of 1,10-linphenanthroline and nickel dichloride hexahydrate, 8.01 g (122.4 mmol) of zinc powder, 13 mL of molten 1-butyl-3-methylimidazolium bromide, and 2.5 mL of H2O were added to a 25 mL three-necked flask. The mixture was stirred at 70 °C for 10 min. Then, 2.76 g (12.3 mmol) of pentafluoroacetanilide was added to the mixture. The reaction mixture was then heated and stirred at 70 °C for 2 h. The mixture was diluted with 10 mL of acetonitrile. The insoluble solids were removed by filtration. The filtrate was then washed with acetonitrile, and the solvent was evaporated. 3,4,5-Trifluoroacetanilide was stirred in hot ethyl acetate c (5 x 10 ml), and the combined organic compounds were evaporated under vacuum. The residue was mixed with 50 ml of H2O, and an aqueous sodium hydroxide solution was added to the mixture until the pH reached 13-14. The mixture was stirred for 1 hour, and the product was separated by distillation to obtain 3,4,5-trifluoroaniline. [Image: Synthesis of 3,4,5-trifluoroaniline] | | Chemical Properties | pale brown crystalline powder | | Uses | 3,4,5-Trifluoroaniline and other halogenated anilines have been used to study Cytochrome P450 2E1/2A6-selective inhibition on metabolic activation of dimethylnitrosamine in human liver microsomes | | General Description | 3,4,5-Trifluoroaniline can be prepared from pentafluoroacetanilide, via catalytic hydrodefluorination. |
| | 3,4,5-Trifluoroaniline Preparation Products And Raw materials |
| Raw materials | Acetamide,N-(2,3,4,5,6-pentafluorophenyl)--->5-Bromo-1,2,3-trifluorobenzene-->1,2,3,5-Tetrafluorobenzene | | Preparation Products | 3,4,5-Trifluoronitrobenzene-->2,6H-trifluoroacetanilide-->AS1842856-->1-(3,4,5-Trifluorophenyl)-1H-pyrrole-2,5-dione |
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