Identification | More | [Name]
4-(Trifluoromethoxy)aniline | [CAS]
461-82-5 | [Synonyms]
4-(TRIFLUOROMETHOXY)ANILINE 4-TRIFLUOROMETHOXY-PHENYLAMINE AKOS B016000 ALPHA,ALPHA,ALPHA-TRIFLUORO-P-ANISIDINE TIMTEC-BB SBB001667 4-Trifluoroethoxyaniline 4-trifluoromethoxyaniune p-Trifluoromethoxyaniline p-Aminotrifluoromethoxybenzene P-Aminotrifluoromethpxybenzene 4-Aminotrifluoromethoxybenzene 4-(Trifluoromethoxy)aniline, 99+% 4-TRIFLUORO METHOXYLAMINE α,α,α-trifluoro-p-anisidine 4-(Trifluoromethoxy)aniline 98% 4-(Trifluoromethoxy)aniline98% 4-(Trifluoromethoxy)aminobenzene 4-(Trifluormethoxy)anilin 4-(TRIFLUOROMETHOXY)ANILINE 99.5+% 4-(trifluoromethoxy)aniline,2-(trifluoromethoxy)benzenamine | [EINECS(EC#)]
207-317-5 | [Molecular Formula]
C7H6F3NO | [MDL Number]
MFCD00041314 | [Molecular Weight]
177.12 | [MOL File]
461-82-5.mol |
Chemical Properties | Back Directory | [Appearance]
CLEAR YELLOW LIQUID | [Boiling point ]
73-75 °C10 mm Hg(lit.)
| [density ]
1.32 g/mL at 20 °C(lit.)
| [refractive index ]
n20/D 1.463(lit.)
| [Fp ]
177 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | [form ]
Liquid | [pka]
3.75±0.10(Predicted) | [color ]
Clear colorless to yellow | [Specific Gravity]
1.310 | [BRN ]
2090209 | [Stability:]
Hygroscopic | [InChI]
InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2 | [InChIKey]
XUJFOSLZQITUOI-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(OC(F)(F)F)C=C1 | [CAS DataBase Reference]
461-82-5(CAS DataBase Reference) |
Safety Data | Back Directory | [Hazard Codes ]
T,Xi,Xn | [Risk Statements ]
R24/25:Toxic in contact with skin and if swallowed . R33:Danger of cumulative effects. R38:Irritating to the skin. R41:Risk of serious damage to eyes. R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, 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 . S36/37/39: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 ]
UN 2941 6.1/PG 3
| [WGK Germany ]
2
| [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [HazardClass ]
IRRITANT, TOXIC | [PackingGroup ]
III | [HS Code ]
29222900 |
Hazard Information | Back Directory | [Chemical Properties]
CLEAR YELLOW LIQUID | [Uses]
4-(Trifluoromethoxy)aniline was used in the synthesis of:
- side-group liquid-crystalline polymethacrylates with fluorine-containing mesogens
- derivatives of 3-(quinolin-3-yl)acrylates
- series of novel Shiff bases, via condensation with pyridinecarboxaldehydes in the presence of molecular sieves
| [Synthesis]
General procedure: To a flame-dried 25 mL round-bottom flask were added activated magnesium chips (7.5 mmol, 1.5 eq.) and 5 mL of anhydrous tetrahydrofuran (THF). Two drops of 1,2-dibromoethane were added to the suspension to initiate the reaction. 5 min later, a solution of p-bromotrifluoromethoxybenzene (5 mmol, 1.0 eq.) dissolved in 5 mL of anhydrous THF was slowly added to the magnesium suspension at room temperature. A mild exothermic phenomenon was observed during the reaction. After determining the concentration of Grignard's reagent by titration, 1 mmol of the reagent was transferred to another flame-dried reaction flask. The solution was diluted with 3 mL of anhydrous toluene and after cooling to the preset temperature T, a solution of oxazepane (1.2 mmol, 1.2 equiv) dissolved in 1 mL of anhydrous toluene was added. The reaction mixture was held at temperature T for a reaction time t, followed by quenching the reaction with saturated aqueous ammonium chloride (NH4Cl). (Specific reaction temperatures and reaction times need to be listed according to the actual conditions of each substrate.) | [References]
[1] Organic Letters, 2013, vol. 15, # 14, p. 3734 - 3737 [2] Nature Chemistry, 2017, vol. 9, # 7, p. 681 - 688 [3] Patent: US2018/57444, 2018, A1. Location in patent: Paragraph 0098; 0134; 0135; 0171 |
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