2-Iodobiphenyl

The 2-Iodobiphenyl, with the CAS registry number 2113-51-1 and EINECS registry number 218-303-3, has the IUPAC name of 1-iodo-2-phenylbenzen. The molecular formula of the chemical is C₁₂H₉I. And it belongs to the following product categories: Biphenyl derivatives; Aryl; C9 to C12; Halogenated Hydrocarbons.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 1798.47; (6)ACD/BCF (pH 7.4): 1798.47; (7)ACD/KOC (pH 5.5): 7438.02; (8)ACD/KOC (pH 7.4): 7438.02; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 63.75 cm³; (15)Molar Volume: 176.7 cm³; (16)Polarizability: 25.27×10^-24cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.584 g/cm³; (19)Flash Point: 150.1 °C; (20)Enthalpy of Vaporization: 55.16 kJ/mol; (21)Boiling Point: 331.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000295 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and may cause sensitization by inhalation and skin contact, what's moere, it has possible risk of harm to the unborn child. Therefore, you had better take the following instructions: Wear suitable protective clothing; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); 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: Ic2ccccc2c1ccccc1
(2)InChI: InChI=1/C12H9I/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
(3)InChIKey: QFUYDAGNUJWBSM-UHFFFAOYAM

The toxicity data is as follows: