The Benzenamine,4-fluoro-2-iodo-, with CAS registry number 61272-76-2, belongs to the following product categories: (1)Anilines, Amides & Amines; (2)Fluorine Compounds; (3)Iodine Compounds. It has the systematic name of 4-fluoro-2-iodoaniline. And the chemical formula of this chemical is C6H5FIN.
Physical properties of Benzenamine,4-fluoro-2-iodo-: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.04; (6)ACD/BCF (pH 7.4): 48.1; (7)ACD/KOC (pH 5.5): 556.09; (8)ACD/KOC (pH 7.4): 556.77; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 43.38 cm3; (15)Molar Volume: 117.9 cm3; (16)Polarizability: 17.2×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 2.008 g/cm3; (19)Flash Point: 110.9 °C; (20)Enthalpy of Vaporization: 49.75 kJ/mol; (21)Boiling Point: 259.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0127 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-fluoro-aniline. This reaction will need reagents NaHCO3, I2 and solvent H2O. The reaction time is 1 hour(s). The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-fluoro-2-iodo- irritates to eyes, respiratory system and skin. 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: Fc1ccc(N)c(I)c1
(2)InChI: InChI=1/C6H5FIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
(3)InChIKey: SETOTRGVPANENO-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H5FIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
(5)Std. InChIKey: SETOTRGVPANENO-UHFFFAOYSA-N
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