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| | 4-(Trifluoromethoxy)aniline Basic information |
| | 4-(Trifluoromethoxy)aniline Chemical Properties |
| 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) | | pka | 3.75±0.10(Predicted) | | form | Liquid | | 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) |
| Hazard Codes | T,Xi,Xn | | Risk Statements | 24/25-33-38-41-36/37/38-20/21/22 | | Safety Statements | 26-36/37/39-45-36 | | RIDADR | UN 2941 6.1/PG 3 | | WGK Germany | 2 | | Hazard Note | Toxic | | HazardClass | IRRITANT, TOXIC | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29222900 | | Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | | Hazard Classifications | Acute Tox. 2 Dermal
Acute Tox. 3 Oral
Eye Dam. 1
Skin Irrit. 2
STOT RE 2 |
| | 4-(Trifluoromethoxy)aniline Usage And Synthesis |
| 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
| | Uses | 4-(Trifluoromethoxy)aniline is used in the synthesis of anticancer agents and antitumor medicaments. Also, its an intermediate in the production of labelled Riluzole, a neuroprotective agent. Modulates glutamatergic transmission. A glutamate release inhibitor. An anticonvulsant. | | 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 |
| | 4-(Trifluoromethoxy)aniline Preparation Products And Raw materials |
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