The Benzonitrile,2-fluoro-6-iodo- with the CAS number 79544-29-9 is also called 6-Fluoro-2-iodobenzonitrile. Both the systematic name and IUPAC name are 2-fluoro-6-iodobenzonitrile. Its molecular formula is C₇H₃NFI. This chemical belongs to the following product categories: (1)Blocks; (2)Carboxes; (3)Fluoro Compounds; (4)Iodides; (5)Aromatic Nitriles; (6)Miscellaneous; (7)C6 to C7; (8)Cyanides/Nitriles; (9)Nitrogen Compounds.

The properties of the Benzonitrile,2-fluoro-6-iodo- are: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.983; (4)ACD/LogD (pH 7.4): 3.983; (5)ACD/BCF (pH 5.5): 626.314; (6)ACD/BCF (pH 7.4): 626.314; (7)ACD/KOC (pH 5.5): 3495.793; (8)ACD/KOC (pH 7.4): 3495.793; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 44.355 cm³; (15)Molar Volume: 124.621 cm³; (16)Polarizability: 17.584×10^-24cm³; (17)Surface Tension: 51.795 dyne/cm; (18)Enthalpy of Vaporization: 50.954 kJ/mol; (19)Vapour Pressure: 0.006 mmHg at 25°C.

Uses: This chemical can react with guanidine; carbonate (1:1) to prepare 2,4-diamino-5-iodoquinazoline. This reaction needs solvent N,N-dimethyl-acetamide at temperature of 140 - 142 °C. The reaction time is 8.0 hours. The yield is 74%.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1)I)C#N)F
(2)InChI: InChI=1/C7H3FIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
(3)InChIKey: FAACTMVXBNSPJA-UHFFFAOYAB