2,2'-DIIODOBIPHENYL

The 1,1'-Biphenyl,2,2'-diiodo-, with the CAS registry number 2236-52-4, is also known as 2,2'-Diiodobiphenyl. It belongs to the product category of Biphenyl Derivatives. This chemical's molecular formula is C₇H₅BrN₂S₂ and molecular weight is 269.34. What's more, its IUPAC name is 1-Iodo-2-(2-iodophenyl)benzene.

Physical properties of 1,1'-Biphenyl,2,2'-diiodo- are: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 5.2; (5)ACD/BCF (pH 5.5): 5227.42; (6)ACD/BCF (pH 7.4): 5227.42; (7)ACD/KOC (pH 5.5): 15964.03; (8)ACD/KOC (pH 7.4): 15964.03; (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: 1.697; (14)Molar Refractivity: 76.65 cm³; (15)Molar Volume: 198.8 cm³; (16)Polarizability: 30.38×10^-24 cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 2.041 g/cm³; (19)Flash Point: 204.8 °C; (20)Enthalpy of Vaporization: 62.33 kJ/mol; (21)Boiling Point: 398.1 °C at 760 mmHg; (22)Vapour Pressure: 3.48E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by biphenyl-2,2'-diamine at the ambient temperature. This reaction will need reagents isoamyl nitrite, diiodomethane with the reaction time of 1 hour. The yield is about 60%.

Uses of 1,1'-Biphenyl,2,2'-diiodo-: it can be used to produce 3-(fluoren-9-ylidene)-1,3-diphenylpropyne at the temperature of 80-85 °C. It will need reagent triethylamine with the reaction time of 3 hours. This reaction will also need catalysts dichlorobis(triphenylphosphine)palladium(II), triphenylphosphine, copper(I) iodide. The yield is about 77.9%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2I)I
(2)InChI: InChI=1S/C12H8I2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
(3)InChIKey: OZVRXSGTNWILMN-UHFFFAOYSA-N