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| CAS No.: | 32750-21-3 |
|---|---|
| Name: | 2-FLUORO-6-IODOANISOLE |
| Article Data: | 1 |
| Molecular Structure: | |
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|
|
| Formula: | C7H6FIO |
| Molecular Weight: | 252.027 |
| Synonyms: | Anisole,2-fluoro-6-iodo- (8CI); |
| Density: | 1.804 g/cm3 |
| Melting Point: | 50 °C |
| Boiling Point: | 239.645 °C at 760 mmHg |
| Flash Point: | 98.734 °C |
| Hazard Symbols: |
 Xn
|
| PSA: | 9.23000 |
| LogP: | 2.43890 |
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Specification
The 2-Fluoro-6-iodoanisole, with CAS registry number 32750-21-3, has the systematic name of 1-fluoro-3-iodo-2-methoxybenzenato. Besides this, it is also called benzene, 1-fluoro-3-iodo-2-methoxy-. And the chemical formula of this chemical is C7H6FIO.
Physical properties of 2-Fluoro-6-iodoanisole: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 185; (6)ACD/BCF (pH 7.4): 185; (7)ACD/KOC (pH 5.5): 1460; (8)ACD/KOC (pH 7.4): 1460; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 45.832 cm3; (15)Molar Volume: 139.718 cm3; (16)Polarizability: 18.169×10-24cm3; (17)Surface Tension: 37.905 dyne/cm; (18)Enthalpy of Vaporization: 45.722 kJ/mol; (19)Vapour Pressure: 0.061 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cccc(F)c1OC
(2)InChI: InChI=1/C7H6FIO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
(3)InChIKey: RYQJQWYSGFSMFV-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H6FIO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
(5)Std. InChIKey: RYQJQWYSGFSMFV-UHFFFAOYSA-N