CAS No.7079-54-1,3-FLUORO-2-IODOANISOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7079-54-1
Name:	3-FLUORO-2-IODOANISOLE
Article Data:	3

Formula:	C₇H₆FIO
Molecular Weight:	252.027
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
PSA:	9.23000
LogP:	2.43890

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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%.

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