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| | 3-(Trifluoromethoxy)iodobenzene Basic information |
| Product Name: | 3-(Trifluoromethoxy)iodobenzene | | Synonyms: | 1-IODO-3-(TRIFLUOROMETHOXY)BENZENE;3-(TRIFLUOROMETHOXY)IODOBENZENE;Inter-Iodine Trifluoride Mathoxyphenyl;1-Iodo-3-(trifluoroMethoxy)benzene, 97+%;m-iodotrifluoromethoxybenzene;3-Iodo Trifluoromethoxy Benzene;1-Iodo-3-(trifluoromethoxy)benzene 98%;3-Iodophenyl trifluoromethyl ether, 3-Iodo-alpha,alpha,alpha-trifluoroanisole | | CAS: | 198206-33-6 | | MF: | C7H4F3IO | | MW: | 288.01 | | EINECS: | | | Product Categories: | Ethers;Organic Building Blocks;Oxygen Compounds | | Mol File: | 198206-33-6.mol |  |
| | 3-(Trifluoromethoxy)iodobenzene Chemical Properties |
| Boiling point | 185-186 °C (lit.) | | density | 1.863 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.5200(lit.) | | Fp | 135 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | clear liquid | | color | Colorless to Light red to Green | | Sensitive | Light Sensitive | | InChI | 1S/C7H4F3IO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H | | InChIKey | UQZXQSQWKJZHCD-UHFFFAOYSA-N | | SMILES | FC(F)(F)Oc1cccc(I)c1 | | CAS DataBase Reference | 198206-33-6(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37 | | RIDADR | UN 1993 3/PG 3 | | WGK Germany | 3 | | Hazard Note | Irritant | | HS Code | 29093090 | | Storage Class | 3 - Flammable liquids |
| | 3-(Trifluoromethoxy)iodobenzene Usage And Synthesis |
| Synthesis | 1. 3-Trifluoromethoxyaniline (17.7 g, 100.00 mmol) was dissolved in H2O (80 ml) at -5 °C and an aqueous solution of NaNO2 (7.4 g, 115.62 mmol) was added.
2. H2SO4 (25 g, 250.00 mmol) was added slowly and dropwise with stirring, keeping the reaction temperature at -5 °C.
3. The reaction mixture was maintained at -5 °C for 15 min.
4. H2O (60 ml) solution of KI (20 g, 120.48 mmol) was added dropwise.
5. The reaction solution was brought to room temperature and stirred overnight.
6. The reaction mixture was extracted with EtOAc (2 x 100 mL).
7. The organic layers were combined, washed with Na2SO3/H2O (2 x 50 mL), dried over Na2SO4 and concentrated in vacuum.
8. The residue was purified by silica gel column chromatography to afford 1-iodo-3-(trifluoromethoxy)benzene (4.0 g, 14% yield). | | References | [1] Patent: WO2006/55187, 2006, A1. Location in patent: Page/Page column 99-100 |
| | 3-(Trifluoromethoxy)iodobenzene Preparation Products And Raw materials |
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