| Identification | More | [Name]
2,5-Bis(trifluoromethyl)aniline | [CAS]
328-93-8 | [Synonyms]
2,5-BIS(TRIFLUOROMETHYL)ANILINE
2,5-DI(TRIFLUOROMETHYL)ANILINE
ALPHA,ALPHA,ALPHA,ALPHA',ALPHA',ALPHA'-HEXAFLUORO-2,5-XYLIDINE
TIMTEC-BB SBB000691
2,5-BIS(TRIFLUOROMETHYL)AMILINE
2,5-Bis(trifluoromethyl)aniline 98%
2,5-Bis(trifluoromethyl)aniline98%
2,5-DIS(TRIFLUOROMETHYL)ANILINE
2,5-Bis-trifluoromethyl-phenylamine
2,5-bis(trifluoromethyl)benzenamine | [EINECS(EC#)]
629-040-2 | [Molecular Formula]
C8H5F6N | [MDL Number]
MFCD00074940 | [Molecular Weight]
229.12 | [MOL File]
328-93-8.mol |
| Chemical Properties | Back Directory | [Boiling point ]
70-71 °C15 mm Hg(lit.)
| [density ]
1.467 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.432(lit.)
| [Fp ]
160 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly) | [form ]
Oil | [pka]
0.24±0.10(Predicted) | [color ]
Clear Colourless | [Specific Gravity]
1.467 | [BRN ]
2653046 | [InChI]
InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2 | [InChIKey]
XWMVIJUAZAEWIE-UHFFFAOYSA-N | [SMILES]
C1(N)=CC(C(F)(F)F)=CC=C1C(F)(F)F | [CAS DataBase Reference]
328-93-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,T,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing . | [RIDADR ]
2810 | [WGK Germany ]
3
| [Hazard Note ]
Toxic/Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29214990 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colorless liquid | [Uses]
2,5-Bis(trifluoromethyl)aniline is a haloalkul substituted aniline used in the preparation of anti-benign prostatic hyperplasia drug, Dutasteride (D735000). | [Synthesis]
Example 8: To an autoclave was added 1.05 g of Raney nickel catalyst (10 wt%) and 100 mL of isopropanol followed by 10.0 g of 2,5-bis(trifluoromethyl)nitrobenzene. Hydrogen was passed under stirring until the pressure reached 5 kg/cm2 and the temperature was raised to 70 °C. The reaction was continued at 70-90°C for 8 hours. After completion of the reaction, the temperature was allowed to drop to room temperature, the hydrogen pressure was released, the catalyst was removed by filtration and the filtrate was washed with isopropanol. The filtrate was concentrated to give 6.42 g of 2,5-bis(trifluoromethyl)aniline in 73% yield and 99.4% GC purity. The structure of the product was confirmed by GC-MS, 1H-NMR and 19F-NMR analysis. | [References]
[1] Patent: EP1468983, 2004, A1. Location in patent: Page 6
[2] Journal of the American Chemical Society, 1953, vol. 75, p. 4967
[3] Patent: WO2011/150156, 2011, A2. Location in patent: Page/Page column 132 |
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