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CAS No.: | 68194-17-2 |
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Name: | 2,2',3,3',4,5,5',6-OCTACHLOROBIPHENYL |
Molecular Structure: | |
Formula: | C12H2Cl8 |
Molecular Weight: | 429.772 |
Synonyms: | 2,2',3,3',4,5,5',6-Octachlorobiphenyl;2,3,4,5,6,2',3',5'-Octachlorobiphenyl;PCB NO 198; |
Density: | 1.716 g/cm3 |
Melting Point: | 150.67°C (estimate) |
Boiling Point: | 434.8 °C at 760 mmHg |
Flash Point: | 215.5 °C |
PSA: | 0.00000 |
LogP: | 8.58080 |
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The CAS register number of 1,1'-Biphenyl,2,2',3,3',4,5,5',6-octachloro- is 68194-17-2. It also can be called as 2,2',3,3',4,5,5',6-Octachlorobiphenyl and the IUPAC name about this chemical is 1,2,3,4,5-pentachloro-6-(2,3,5-trichlorophenyl)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',4,5,5',6-octachloro- are: (1)ACD/LogP: 7.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.46; (4)ACD/LogD (pH 7.4): 7.46; (5)ACD/BCF (pH 5.5): 276479.41; (6)ACD/BCF (pH 7.4): 276479.41; (7)ACD/KOC (pH 5.5): 273348.41; (8)ACD/KOC (pH 7.4): 273348.41; (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: 215.5 °C; (17)Enthalpy of Vaporization: 66.43 kJ/mol; (18)Boiling Point: 434.8 °C at 760 mmHg; (19)Vapour Pressure: 2.35E-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)c2cc(Cl)cc(Cl)c2Cl
(2)Std. InChI: InChI=1S/C12H2Cl8/c13-3-1-4(7(15)5(14)2-3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
(3)Std. InChIKey: PJHBSPRZHUOIAS-UHFFFAOYSA-N