2,2',3,3',4,5',6,6'-octachlorobiphenyl supplier

Name
2,2',3,3',4,5',6,6'-OCTACHLOROBIPHENYL
EINECS
CAS No. 40186-71-8
Density 1.716 g/cm³
Solubility
Melting Point 150.67°C (estimate)
Formula C₁₂H₂Cl₈
Boiling Point 419.2 °C at 760 mmHg
Molecular Weight 429.772
Flash Point 204 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2',3,3',4,5',6,6'-Octachlorobiphenyl;PCB 201;
PSA 0.00000
LogP 8.58080

2,2',3,3',4,5',6,6'-octachlorobiphenyl Specification

The CAS register number of 1,1'-Biphenyl,2,2',3,3',4,5',6,6'-octachloro- is 40186-71-8. It also can be called as 2,2',3,3',4,5',6,6'-Octachlorobiphenyl and the IUPAC name about this chemical is 1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenyl)benzene. The molecular formula about this chemical is C₁₂H₂Cl₈ and the molecular weight is 429.77.

Physical properties about 1,1'-Biphenyl,2,2',3,3',4,5',6,6'-octachloro- are: (1)ACD/LogP: 7.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.5; (4)ACD/LogD (pH 7.4): 7.5; (5)ACD/BCF (pH 5.5): 295230.66; (6)ACD/BCF (pH 7.4): 295230.66; (7)ACD/KOC (pH 5.5): 286494.09; (8)ACD/KOC (pH 7.4): 286494.09; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.638; (11)Molar Refractivity: 90 cm³; (12)Molar Volume: 250.3 cm³; (13)Polarizability: 35.68x10^-24cm³; (14)Surface Tension: 50.5 dyne/cm; (15)Density: 1.716 g/cm³; (16)Flash Point: 204 °C; (17)Enthalpy of Vaporization: 64.67 kJ/mol; (18)Boiling Point: 419.2 °C at 760 mmHg; (19)Vapour Pressure: 7.55E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1)c2c(Cl)c(Cl)cc(Cl)c2Cl
(2)Std. InChI: InChI=1S/C12H2Cl8/c13-3-1-6(16)11(19)12(20)7(3)8-9(17)4(14)2-5(15)10(8)18/h1-2H
(3)Std. InChIKey: LJQOBQLZTUSEJA-UHFFFAOYSA-N

Product Name

2,2',3,3',4,5',6,6'-OCTACHLOROBIPHENYL

2,2',3,3',4,5',6,6'-octachlorobiphenyl Specification

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