2,4-DICHLOROBIPHENYL

The 1,1'-Biphenyl,2,4-dichloro-, with the CAS registry number 33284-50-3, is also known as 2,4-Dichlorobiphenyl. This chemical's molecular formula is C₁₂H₈Cl₂ and molecular weight is 223.1. What's more, its IUPAC name is 2,4-dichloro-1-phenylbenzene.

Physical properties of 1,1'-Biphenyl,2,4-dichloro- are: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.04; (4)ACD/BCF (pH 5.5): 3960.2; (5)ACD/KOC (pH 5.5): 13086.98; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 60.63 cm³; (9)Molar Volume: 178.6 cm³; (10)Surface Tension: 41.1 dyne/cm; (11)Density: 1.249 g/cm³; (12)Flash Point: 132.8 °C; (13)Enthalpy of Vaporization: 52.08 kJ/mol; (14)Boiling Point: 302.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00179 mmHg at 25°C.

Preparation: this chemical can be prepared by dichloro-diphenyl-λ⁴-tellane, 2,4-Dichlorophenylboronic acid at the temperature of 50 °C. This reaction will need reagents PdCl₂(PPh₃)₂, NaOMe and solvents 1,2-dimethoxy-ethane, H₂O with the reaction time of 5 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It has the danger of cumulative effects. It is very toxic to aquatic organisms and it may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste in a safe way. It should be avoided releasing to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)Cl
(2)InChI: InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
(3)InChIKey: WEJZHZJJXPXXMU-UHFFFAOYSA-N