|
|
| | 3-Fluoro-4-methylaniline Basic information |
| | 3-Fluoro-4-methylaniline Chemical Properties |
| Melting point | 30-32 °C (lit.) | | Boiling point | 93°C 12mm | | density | 1.093 g/mL at 25 °C (lit.) | | refractive index | 1.5385-1.5405 | | Fp | 88 °C | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | form | powder to lump to clear liquid | | pka | 4.02±0.10(Predicted) | | Specific Gravity | 1.093 | | color | Light yellow to Brown | | BRN | 2715987 | | InChI | InChI=1S/C7H8FN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3 | | InChIKey | MGRHBBRSAFPBIN-UHFFFAOYSA-N | | SMILES | C1(N)=CC=C(C)C(F)=C1 | | CAS DataBase Reference | 452-77-7(CAS DataBase Reference) |
| Hazard Codes | T,Xi,Xn | | Risk Statements | 36/37/38-23/24/25-20/21/22 | | Safety Statements | 45-36/37/39-26-36/37-36 | | RIDADR | 2811 | | WGK Germany | 3 | | RTECS | XU6825000 | | Hazard Note | Toxic/Irritant | | HazardClass | 6.1(b) | | PackingGroup | I | | HS Code | 29214300 | | Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | | Hazard Classifications | Acute Tox. 1 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-Fluoro-4-methylaniline Usage And Synthesis |
| Chemical Properties | clear pale yellow to brownish liquid after melting | | Characteristics | 3-Fluoro-4-methylaniline is an amide and has anti-cancer properties. | | Uses |
3-Fluoro-4-methylaniline is a synthesized compound that is used to produce anti-cancer agents.
| | Synthesis | General procedure for the synthesis of 3-fluoro-4-methylaniline from 2-fluoro-4-nitrotoluene: Freshly distilled toluene (0.6 mL), aromatic nitro compounds (0.60 mmol), indium triiodide (InI3, 14.9 mg, 0.030 mmol) and 1,1,3,3-tetramethyldi siloxane (TMDS, 318 μL, 1.80 mmol). After sealing the vial with a polytetrafluoroethylene (PTFE) septum, the mixture was stirred at 60 °C (bath temperature) and the progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, 5 mL of aqueous sodium bicarbonate (NaHCO3) was added to the mixture, which was then extracted with ethyl acetate (EtOAc, 3 × 6 mL). The organic phases were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: n-hexane-ethyl acetate, from 9:1 to 4:1) to obtain the target product 3-fluoro-4-methylaniline. | | References | [1] Tetrahedron Letters, 2003, vol. 44, # 42, p. 7783 - 7787
[2] Synthesis (Germany), 2015, vol. 47, # 20, p. 3179 - 3185
[3] Journal of the American Chemical Society, 1950, vol. 72, p. 1806
[4] Monatshefte fuer Chemie, 1959, vol. 90, p. 683,687
[5] Journal of the Chemical Society, 1949, p. Spl. 113 |
| | 3-Fluoro-4-methylaniline Preparation Products And Raw materials |
|