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2-Fluoro-6-iodoanisole

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Name

2-Fluoro-6-iodoanisole

EINECS N/A
CAS No. 32750-21-3 Density 1.804 g/cm3
PSA 9.23000 LogP 2.43890
Solubility N/A Melting Point 50 °C
Formula C7H6FIO Boiling Point 239.645 °C at 760 mmHg
Molecular Weight 252.027 Flash Point 98.734 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 32750-21-3 (2-FLUORO-6-IODOANISOLE) Hazard Symbols HarmfulXn
Synonyms

Anisole,2-fluoro-6-iodo- (8CI);

Article Data 1

2-Fluoro-6-iodoanisole 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

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