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74472-40-5

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Basic Information
CAS No.: 74472-40-5
Name: 2,2',3,4,6,6'-HEXACHLOROBIPHENYL
Molecular Structure:
Molecular Structure of 74472-40-5 (2,2',3,4,6,6'-HEXACHLOROBIPHENYL)
Formula: C12H4Cl6
Molecular Weight: 360.88
Synonyms: 2,2',3,4,6,6'-Hexachlorobiphenyl;PCB 145;biphenyl, 2,2',3,4,6,6'-hexachloro-;
Density: 1.593 g/cm3
Melting Point: 115.76°C (estimate)
Boiling Point: 369.3 °C at 760 mmHg
Flash Point: 173.3 °C
PSA: 0.00000
LogP: 7.27400
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Specification

The 1,1'-Biphenyl,2,2',3,4,6,6'-hexachloro-, with the CAS registry number 74472-40-5, is also known as Biphenyl, 2,2',3,4,6,6'-hexachloro-. This chemical's molecular formula is C12H4Cl6 and molecular weight is 360.88. What's more, its systematic name is 2,2',3,4,6,6'-hexachlorobiphenyl. 

Physical properties of 1,1'-Biphenyl,2,2',3,4,6,6'-hexachloro- are: (1)ACD/LogP: 6.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.75; (4)ACD/LogD (pH 7.4): 6.75; (5)ACD/BCF (pH 5.5): 79623.63; (6)ACD/BCF (pH 7.4): 79623.63; (7)ACD/KOC (pH 5.5): 112136.13; (8)ACD/KOC (pH 7.4): 112136.13; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 0 Å2; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 80.21 cm3; (13)Molar Volume: 226.4 cm3; (14)Polarizability: 31.79×10-24 cm3; (15)Surface Tension: 47.9 dyne/cm; (16)Density: 1.593 g/cm3; (17)Flash Point: 173.3 °C; (18)Enthalpy of Vaporization: 59.19 kJ/mol; (19)Boiling Point: 369.3 °C at 760 mmHg; (20)Vapour Pressure: 2.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1)c2c(Cl)cccc2Cl
(2)InChI: InChI=1/C12H4Cl6/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(16)11(17)12(10)18/h1-4H
(3)InChIKey: JZFZCLFEPXCRCA-UHFFFAOYAC