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52663-66-8

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Basic Information
CAS No.: 52663-66-8
Name: 2,2',3,3',4,5'-HEXACHLOROBIPHENYL
Article Data: 1
Molecular Structure:
Molecular Structure of 52663-66-8 (2,2',3,3',4,5'-HEXACHLOROBIPHENYL)
Formula: C12H4Cl6
Molecular Weight: 360.882
Synonyms: 2,2',3,3',4,5'-Hexachlorobiphenyl;2,3,4-2',3',5'-Hexachlorobiphenyl;PCB 130;
Density: 1.593 g/cm3
Melting Point: 115.76°C (estimate)
Boiling Point: 402.9 °C at 760 mmHg
Flash Point: 198.2 °C
PSA: 0.00000
LogP: 7.27400
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Specification

The CAS register number of 1,1'-Biphenyl,2,2',3,3',4,5'-hexachloro- is 52663-66-8. It also can be called as 2,3,4-2',3',5'-Hexachlorobiphenyl and the systematic name about this chemical is 2,2',3,3',4,5'-hexachlorobiphenyl. The molecular formula about this chemical is C12H4Cl6 and the molecular weight is 360.88.

Physical properties about 1,1'-Biphenyl,2,2',3,3',4,5'-hexachloro- are: (1)ACD/LogP: 6.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.78; (4)ACD/LogD (pH 7.4): 6.78; (5)ACD/BCF (pH 5.5): 83236.69; (6)ACD/BCF (pH 7.4): 83236.69; (7)ACD/KOC (pH 5.5): 115755.31; (8)ACD/KOC (pH 7.4): 115755.31 ; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.626; (11)Molar Refractivity: 80.21 cm3; (12)Molar Volume: 226.4 cm3; (13)Polarizability: 31.79x10-24cm3; (14)Surface Tension: 47.9 dyne/cm; (15)Density: 1.593 g/cm3; (16)Flash Point: 198.2 °C; (17)Enthalpy of Vaporization: 62.87 kJ/mol; (18)Boiling Point: 402.9 °C at 760 mmHg; (19)Vapour Pressure: 2.46E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1cc(Cl)cc(Cl)c1Cl)c(Cl)c2Cl
(2)Std. InChI: InChI=1S/C12H4Cl6/c13-5-3-7(10(16)9(15)4-5)6-1-2-8(14)12(18)11(6)17/h1-4H
(3)Std. InChIKey: YFSLABAYQDPWPF-UHFFFAOYSA-N