| Identification | More | [Name]
3-(Trifluoromethoxy)iodobenzene | [CAS]
198206-33-6 | [Synonyms]
1-IODO-3-(TRIFLUOROMETHOXY)BENZENE
3-(TRIFLUOROMETHOXY)IODOBENZENE | [Molecular Formula]
C7H4F3IO | [MDL Number]
MFCD01090992 | [Molecular Weight]
288.01 | [MOL File]
198206-33-6.mol |
| Chemical Properties | Back Directory | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
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:Wear suitable protective clothing . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29093090 | [Storage Class]
3 - Flammable liquids |
| Hazard Information | Back Directory | [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 |
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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Energy Chemical
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Jia Xing Isenchem Co.,Ltd
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