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74472-46-1

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Basic Information
CAS No.: 74472-46-1
Name: 2,3,3',5,5',6-HEXACHLOROBIPHENYL
Molecular Structure:
Molecular Structure of 74472-46-1 (2,3,3',5,5',6-HEXACHLOROBIPHENYL)
Formula: C12H4Cl6
Molecular Weight: 360.882
Synonyms: 2,3,3',5,5',6-Hexachlorobiphenyl;PCB 165;biphenyl, 2,3,3',5,5',6-hexachloro-;2,3,3',5,5',6-Hexachloro-1,1'-biphenyl;
Density: 1.593 g/cm3
Melting Point: 115.76°C (estimate)
Boiling Point: 401.1 °C at 760 mmHg
Flash Point: 196.9 °C
PSA: 0.00000
LogP: 7.27400
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  • 2,3,3',5,5',6-HEXACHLOROBIPHENYL

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    2,3,3',5,5',6-HEXACHLOROBIPHENYL

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  • 1,1'-Biphenyl,2,3,3',5,5',6-hexachloro-

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Specification

The 1,1'-Biphenyl,2,3,3',5,5',6-hexachloro-, with the CAS registry number 74472-46-1, is also known as 2,3,3',5,5',6-Hexachlorobiphenyl. This chemical's molecular formula is C12H4Cl6 and molecular weight is 360.88. What's more, its systematic name is 2,3,3',5,5',6-hexachlorobiphenyl. 

Physical properties of 1,1'-Biphenyl,2,3,3',5,5',6-hexachloro- are: (1)ACD/LogP: 6.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.84; (4)ACD/LogD (pH 7.4): 6.84; (5)ACD/BCF (pH 5.5): 92576.8; (6)ACD/BCF (pH 7.4): 92576.8; (7)ACD/KOC (pH 5.5): 124911.23; (8)ACD/KOC (pH 7.4): 124911.23; (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: 196.9 °C; (18)Enthalpy of Vaporization: 62.67 kJ/mol; (19)Boiling Point: 401.1 °C at 760 mmHg; (20)Vapour Pressure: 2.8E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Clc2c(c1cc(Cl)cc(Cl)c1)c(Cl)c(Cl)cc2Cl
(2)InChI: InChI=1/C12H4Cl6/c13-6-1-5(2-7(14)3-6)10-11(17)8(15)4-9(16)12(10)18/h1-4H
(3)InChIKey: ZEATXTCWXKQPHO-UHFFFAOYAA