2,2',4,5,5'-PENTACHLOROBIPHENYL

The 1,1'-Biphenyl,2,2',4,5,5'-pentachloro- is an organic compound with the formula C₁₂H₅Cl₅. The IUPAC name of this chemical is 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene. With the CAS registry number 37680-73-2, it is also named as 2,2',4,5,5'-Pentachloro-1,1'-biphenyl.

Physical properties about 1,1'-Biphenyl,2,2',4,5,5'-pentachloro- are: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.38; (4)ACD/LogD (pH 7.4): 6.38; (5)ACD/BCF (pH 5.5): 41302.41; (6)ACD/BCF (pH 7.4): 41302.41; (7)ACD/KOC (pH 5.5): 70096.75; (8)ACD/KOC (pH 7.4): 70096.75; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.619; (11)Molar Refractivity: 75.31 cm³; (12)Molar Volume: 214.4 cm³; (13)Polarizability: 29.85×10^-24cm³; (14)Surface Tension: 46.4 dyne/cm; (15)Density: 1.522 g/cm³; (16)Flash Point: 177.8 °C; (17)Enthalpy of Vaporization: 59.37 kJ/mol; (18)Boiling Point: 371 °C at 760 mmHg; (19)Vapour Pressure: 2.27E-05 mmHg at 25°C.

Uses of 1,1'-Biphenyl,2,2',4,5,5'-pentachloro-: it can be used to produce 4-Nitro-2,2',4',5,5'-pentachlorobiphenyl by heating. It will need reagent 70 percent nitric acid and solvent acetic acid with reaction time of 2 hours. The yield is about 20%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Please keep away from sources of ignition - No smoking. This material and its container must be disposed of in a safe way. Besides, this chemical is irritating to skin and vapours may cause drowsiness and dizziness. It has danger of cumulative effects. When you are using it, avoid release to the environment. Refer to special instructions/safety data sheet. This material and its container must be disposed of as hazardous waste. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c1cc(Cl)ccc1Cl)c(Cl)cc2Cl
(2)InChI: InChI=1/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
(3)InChIKey: LAHWLEDBADHJGA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
(5)Std. InChIKey: LAHWLEDBADHJGA-UHFFFAOYSA-N