Basic information
- Name:
Benzene,1-fluoro-2-iodo-3-methoxy-
- Superlist Name:
- 3-Fluoro-2-iodoanisole
- CAS No.:
7079-54-1
- Molecular Structure:
- Formula:
- C7H6FIO
- Molecular Weight:
- 252.02
- Synonyms:
- Anisole,3-fluoro-2-iodo- (8CI);6-Fluoro-2-methoxyiodobenzene;
- Density:
- 1.803 g/cm3
- Boiling Point:
- 225.3 °C at 760 mmHg
- Flash Point:
- 90.1 °C
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Specification
The 3-Fluoro-2-iodoanisole is an organic compound with the formula C7H6FIO. The systematic name of this chemical is 1-fluoro-2-iodo-3-methoxybenzene. With the CAS registry number 7079-54-1, it is also named as Benzene, 1-fluoro-2-iodo-3-methoxy-.
Physical properties about 3-Fluoro-2-iodoanisole are: (1)ACD/LogP: 3.29; (2)ACD/LogD (pH 5.5): 3.29; (3)ACD/LogD (pH 7.4): 3.29; (4)ACD/BCF (pH 5.5): 187.24; (5)ACD/BCF (pH 7.4): 187.24; (6)ACD/KOC (pH 5.5): 1472.94; (7)ACD/KOC (pH 7.4): 1472.94; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.569; (12)Molar Refractivity: 45.83 cm3; (13)Molar Volume: 139.7 cm3; (14)Polarizability: 18.16×10-24cm3; (15)Surface Tension: 37.9 dyne/cm; (16)Density: 1.803 g/cm3; (17)Flash Point: 90.1 °C; (18)Enthalpy of Vaporization: 44.3 kJ/mol; (19)Boiling Point: 225.3 °C at 760 mmHg; (20)Vapour Pressure: 0.13 mmHg at 25°C.
Uses of 3-Fluoro-2-iodoanisole: it can be used to produce 2-Methoxybenzonorbornadien by heating. It will need reagent Mg and solvent tetrahydrofuran with reaction time of 30 min. The yield is about 39%.
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You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(F)cccc1OC
(2)InChI: InChI=1/C7H6FIO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
(3)InChIKey: CPTMVKLYWHEOMG-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H6FIO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
(5)Std. InChIKey: CPTMVKLYWHEOMG-UHFFFAOYSA-N
