| Identification | More | [Name]
3,4,5-Trifluoroaniline | [CAS]
163733-96-8 | [Synonyms]
3,4,5-TRIFLUOROANILINE
Benzenamine, 3,4,5-trifluoro-(9CI)
3,4,5-Trifluoroaniline 98%
3,4,5-Trifluoroaniline98%
3,4,5-Trifluroaniline | [EINECS(EC#)]
605-341-4 | [Molecular Formula]
C6H4F3N | [MDL Number]
MFCD00083522 | [Molecular Weight]
147.1 | [MOL File]
163733-96-8.mol |
| Questions And Answer | Back Directory | [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 | Back Directory | [Appearance]
pale brown crystalline powder | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
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 Statements ]
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 . | [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 |
| Hazard Information | Back Directory | [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. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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