Benzene,1-bromo-4-fluoro-2-iodo- (202865-72-3)

The 1-Bromo-4-fluoro-2-iodobenzene, with the cas registry number 202865-72-3, is also called 2-Bromo-5-fluoroiodobenzene. And its product categories are various, including Bromine Compounds; Fluorine Compounds; Iodine Compounds and Fluorinated benzene series. It is a kind of light sensitive chemical, and its the molecular formula is C₆H₃BrFI.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 568.26; (6)ACD/BCF (pH 7.4): 568.26; (7)ACD/KOC (pH 5.5): 3260.68; (8)ACD/KOC (pH 7.4): 3260.68; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 46.84 cm³; (15)Molar Volume: 131.9 cm³; (16)Polarizability: 18.57×10^-24cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 2.281 g/cm³; (19)Flash Point: 100 °C; (20)Enthalpy of Vaporization: 45.93 kJ/mol; (21)Boiling Point: 241.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0547 mmHg at 25°C.
 
You should be cautious while dealing with this chemical. It irritates to the eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(Br)c(I)c1
(2)InChI: InChI=1/C6H3BrFI/c7-5-2-1-4(8)3-6(5)9/h1-3H
(3)InChIKey: QDCBSSUCEUMLGC-UHFFFAOYAQ