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2136-99-4

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Basic Information
CAS No.: 2136-99-4
Name: 2,2',3,3',5,5',6,6'-OCTACHLOROBIPHENYL
Article Data: 8
Molecular Structure:
Molecular Structure of 2136-99-4 (2,2',3,3',5,5',6,6'-OCTACHLOROBIPHENYL)
Formula: C12H2Cl8
Molecular Weight: 429.772
Synonyms: 2,2',3,3',5,5',6,6'-Octachloro-1,1'-biphenyl;2,3,5,6,2',3',5',6'-Octachlorobiphenyl;Biphenyl, 2,2',3,3',5,5',6,6'-octachloro-;
Density: 1.716 g/cm3
Melting Point: 161°C
Boiling Point: 420.1 °C at 760 mmHg
Flash Point: 204.7 °C
Solubility: 0.147ug/L(25 oC)
PSA: 0.00000
LogP: 8.58080
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Specification

The CAS register number of 1,1'-Biphenyl,2,2',3,3',5,5',6,6'-octachloro- is 2136-99-4. It also can be called as 2,2',3,3',5,5',6,6'-Octachlorobiphenyl and the IUPAC name about this chemical is 1,2,4,5-tetrachloro-3-(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',5,5',6,6'-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): 252566.75; (6)ACD/BCF (pH 7.4): 252566.75; (7)ACD/KOC (pH 5.5): 256209.7; (8)ACD/KOC (pH 7.4): 256209.7; (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: 204.7 °C; (17)Enthalpy of Vaporization: 64.78 kJ/mol; (18)Boiling Point: 420.1 °C at 760 mmHg; (19)Vapour Pressure: 7.04E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(c1c(Cl)c(Cl)cc(Cl)c1Cl)c(Cl)c(Cl)cc2Cl
(2)Std. InChI: InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
(3)Std. InChIKey: JPOPEORRMSDUIP-UHFFFAOYSA-N