Benzenamine, 3,4,5-trifluoro-
3,4,5-Trifluoroaniline
CAS: 163733-96-8
Molecular Formula: C6H4F3N
Benzenamine, 3,4,5-trifluoro- - Names and Identifiers
| Name | 3,4,5-Trifluoroaniline |
| Synonyms | ZR CF DF EF 3,4,5-Trifluoroanili 3,4,5-Trifluroaniline 3,4,5-TRIFLUOROANILINE 3,4,5-Trifluoroaniline Benzenamine, 3,4,5-trifluoro- Benzenamine, 3,4,5-trifluoro- (9CI) (3,4,5-trifluorophenyl)-(7-MethoxyMethyl-[1,4]-dioxano[2,3-g]quinazolin-4-yl)-aMine |
| CAS | 163733-96-8 |
| EINECS | 605-341-4 |
| InChI | InChI=1/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2 |
Benzenamine, 3,4,5-trifluoro- - Physico-chemical Properties
| Molecular Formula | C6H4F3N |
| Molar Mass | 147.1 |
| Density | 1.3510 (estimate) |
| Melting Point | 61-64 °C (lit.) |
| Boling Point | 100.5°C (rough estimate) |
| Flash Point | 82.4°C |
| Water Solubility | Soluble in methanol (almost transparency). Insoluble in water. |
| Vapor Presure | 0.325mmHg at 25°C |
| Appearance | Light brown crystalline powder |
| Color | White to Almost white |
| BRN | 4977254 |
| pKa | 2.63±0.10(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.495 |
| MDL | MFCD00083522 |
| Physical and Chemical Properties | 3,4, 5-trifluoroaniline is a colorless to light yellow liquid at normal temperature and pressure, which is alkaline and can be combined with hydrochloric acid to form hydrochloride, and sulfated to synthesize sulfate. |
Benzenamine, 3,4,5-trifluoro- - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R38 - Irritating to the skin R21/22 - Harmful in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN2941 |
| WGK Germany | 3 |
| HS Code | 29214200 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
Benzenamine, 3,4,5-trifluoro- - Reference Information
| use | 3,4, 5-trifluoroaniline can be used to make dyes, drugs, resins, rubber vulcanization accelerators, etc., and can also be used as intermediates in pharmaceutical chemistry and organic synthesis. In terms of synthesis and transformation, it is mainly carried out around the amino group on the benzene ring. The amino group can be changed into a diazonium salt through diazotization and then subsequent derivatization applications such as halogenation, hydroxylation and hydrogenation. In addition, 3,4, 5-trifluoroaniline can directly carry out the bromination reaction by introducing a bromine atom at positions 1 and 6 of the benzene ring to obtain a hexasubstituted benzene derivative. |
| synthesis method | at room temperature, add 300 mg (0.6 mmol) of 1,10-phenanthroline and nickel dichloride hexahydrate complex, 8.01g (122.4 mmol) of zinc powder, in a 25 ml three-necked flask, 13 ml of 1-butyl-3-methylimidazole bromine salt and 2.5 ml of H2O in molten state, stir the mixture at 70 degrees for 10 minutes, then add 2.76 grams (12.3 mmol) of pentafluoroacetanilide to the mixture, and then heat the reaction mixture at 70 degrees Stir for 2 hours, dilute the mixture with 10 ml of acetonitrile, remove insoluble solids through filtration, and then wash the filtrate with acetonitrile, evaporation of solvent. Stir 3,4, 5-trifluoroacetanilide with hot ethyl acetate c(5 x 10 ml), evaporate the combined organic matter under vacuum, mix the residue with 50 ml of H2O, add sodium hydroxide aqueous solution to the mixture until the pH value reaches 13-14, stir the resulting mixture for 1 hour, and separate the product by distillation to obtain 3,4, 5-trifluoroaniline. Fig. 3,4, synthetic route of 5-trifluoroaniline |
Last Update：2024-04-09 20:52:54
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