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CAS No.: | 348-52-7 |
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Name: | 1-Fluoro-2-iodobenzene |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C6H4FI |
Molecular Weight: | 222.001 |
Synonyms: | 1-Fluoro-2-iodo-5-trifluoromethylbenzene;1-Iodo-2-fluorobenzene;2-Fluoro-1-iodobenzene;2-Fluoroiodobenzene;2-Fluorophenyl iodide;2-Iodo-1-fluorobenzene;2-Iodofluorobenzene;NSC 51766;o-Fluoroiodobenzene;o-Fluorophenyl iodide;o-Iodofluorobenzene; |
EINECS: | 206-477-3 |
Density: | 1.918 g/cm3 |
Melting Point: | -41--40 °C(lit.) |
Boiling Point: | 189.3 °C at 760 mmHg |
Flash Point: | 71.1 °C |
Appearance: | Clear colourless to light yellow liquid |
Hazard Symbols: | Xn, N, Xi |
Risk Codes: | 22-37/38-41-51/53-36/37/38 |
Safety: | 26-39-61-37/39 |
PSA: | 0.00000 |
LogP: | 2.43030 |
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The 1-Fluoro-2-iodobenzene is its own IUPAC name. With cas registry number of 348-52-7, it is also known as 2-Fluoroiodobenzene. Its systematic name is named as Benzene, 1-fluoro-2-iodo-. It has the appearance of clear colourless to light yellow liquid with EINECS registry number of 206-477-3. This chemical is a kind of following classes: Aromatic Esters; Fluorobenzene; Miscellaneous; Fluorine Compounds; Iodine Compounds; Aryl; C6; Halogenated Hydrocarbons. It is also sensitive to light.
The physical properties about this chemical are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.591; (9)Molar Refractivity: 39.15 cm3; (10)Molar Volume: 115.7 cm3 ; (11)Surface Tension: 39.4 dyne/cm; (12)Density: 1.918 g/cm3; (13)Flash Point: 71.1 °C; (14)Enthalpy of Vaporization: 40.81 kJ/mol; (15)Boiling Point: 189.3 °C at 760 mmHg; (16)Vapour Pressure: 0.791 mmHg at 25°C ; (17)Refractive index: 1.5899-1.5919.
Preparation of 1-Fluoro-2-iodobenzene: it can be made by o-potassiofluorobenzene with reagent Iodine and solvent tetrahydrofuran, diethyl ether at temperature of -85 ℃. The reaction time is 5 min with 85% yield.
Uses of 1-Fluoro-2-iodobenzene: it can react with diphenylamine to prepare o-fluorophenyldiphenylamine by using reagents: K2CO3, Cu and various solvents in the condition of heating. The reaction time is 187 hours with 69% yield.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1I;
(2)InChI: InChI=1/C6H4FI/c7-5-3-1-2-4-6(5)8/h1-4H;
(3)InChIKey: TYHUGKGZNOULKD-UHFFFAOYAT