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52663-78-2

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Basic Information
CAS No.: 52663-78-2
Name: 2,2',3,3',4,4',5,6-OCTACHLOROBIPHENYL
Article Data: 2
Molecular Structure:
Molecular Structure of 52663-78-2 (2,2',3,3',4,4',5,6-OCTACHLOROBIPHENYL)
Formula: C12H2Cl8
Molecular Weight: 429.772
Synonyms: 2,2',3,3',4,4',5,6-Octachlorobiphenyl;2,3,4,2',3',4',5',6'-Octachlorobiphenyl;2,3,4,5,6,2',3',4'-Octachlorobiphenyl;PCB 195;
Density: 1.716 g/cm3
Melting Point: 150.67°C (estimate)
Boiling Point: 435.6 °C at 760 mmHg
Flash Point: 216.1 °C
PSA: 0.00000
LogP: 8.58080
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Specification

The CAS register number of 1,1'-Biphenyl,2,2',3,3',4,4',5,6-octachloro- is 52663-78-2. It also can be called as 2,2',3,3',4,4',5,6-Octachlorobiphenyl and the IUPAC name about this chemical is 1,2,3,4-tetrachloro-5-(2,3,4,6-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',4,4',5,6-octachloro- are: (1)ACD/LogP: 7.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.41; (4)ACD/LogD (pH 7.4): 7.41; (5)ACD/BCF (pH 5.5): 254039.09; (6)ACD/BCF (pH 7.4): 254039.09; (7)ACD/KOC (pH 5.5): 257277.8; (8)ACD/KOC (pH 7.4): 257277.8; (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: 216.1 °C; (17)Enthalpy of Vaporization: 66.52 kJ/mol; (18)Boiling Point: 435.6 °C at 760 mmHg; (19)Vapour Pressure: 2.2E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl
(2)Std. InChI: InChI=1S/C12H2Cl8/c13-4-2-1-3(6(14)7(4)15)5-8(16)10(18)12(20)11(19)9(5)17/h1-2H
(3)Std. InChIKey: JAHJITLFJSDRCG-UHFFFAOYSA-N