3-FLUORO-4-IODOBENZONITRILE

The Benzonitrile,3-fluoro-4-iodo-, with CAS registry number 887266-99-1, has the systematic name of 3-fluoro-4-iodo-benzonitrile. Besides this, it is also called 4-Cyano-2-fluoroiodobenzene and 5-Fluoro-4-iodobenzonitrile. And the chemical formula of this chemical is C₇H₃FIN.

Physical properties of Benzonitrile,3-fluoro-4-iodo-: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 23.79 Å²; (9)Index of Refraction: 1.63; (10)Molar Refractivity: 44.35 cm³; (11)Molar Volume: 124.6 cm³; (12)Polarizability: 17.58×10^-24cm³; (13)Surface Tension: 51.7 dyne/cm; (14)Density: 1.98 g/cm³; (15)Flash Point: 115.9 °C; (16)Enthalpy of Vaporization: 50.61 kJ/mol; (17)Boiling Point: 268.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00786 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzonitrile,3-fluoro-4-iodo- irritates to eyes, respiratory system and skin. This chemical is harmful if swallowed. And it has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C#N)ccc1I
(2)InChI: InChI=1/C7H3FIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
(3)InChIKey: NPKQMCCUPXZXFI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H3FIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
(5)Std. InChIKey: NPKQMCCUPXZXFI-UHFFFAOYSA-N