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74472-43-8

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Basic Information
CAS No.: 74472-43-8
Name: 2,3',4,4',5',6-HEXACHLOROBIPHENYL
Molecular Structure:
Molecular Structure of 74472-43-8 (2,3',4,4',5',6-HEXACHLOROBIPHENYL)
Formula: C12H4Cl6
Molecular Weight: 360.882
Synonyms: 1,2,3,5-tetrachloro-4-(3,5-dichlorophenyl)benzene;2,3,3',4,5',6-Hexachlorobiphenyl;
Density: 1.593 g/cm3
Melting Point: 115.76°C (estimate)
Boiling Point: 400.1 °C at 760 mmHg
Flash Point: 196.1 °C
PSA: 0.00000
LogP: 7.27400
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  • 2,3,3',4,5',6-Hexachloro-1,1'-biphenyl

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Specification

The 1,1-Biphenyl, 2,3,3,4,5,6-hexachloro- is an organic compound with the formula C12H4Cl6. The IUPAC name of this chemical is 1,2,3,5-Tetrachloro-4-(3,5-dichlorophenyl)benzene. With the CAS registry number 74472-43-8, it is also named as 2,3,3',4,5',6-Hexachloro-1,1'-biphenyl. Besides, its molecular weight is 360.88.

The physical properties of 1,1-Biphenyl, 2,3,3,4,5,6-hexachloro- are: (1)ACD/LogP: 6.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.93; (4)ACD/LogD (pH 7.4): 6.93; (5)ACD/BCF (pH 5.5): 108215.12; (6)ACD/BCF (pH 7.4): 108215.12; (7)ACD/KOC (pH 5.5): 139676.08; (8)ACD/KOC (pH 7.4): 139676.08; (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: 31.79×10-24 cm3; (14)Surface Tension: 47.9 dyne/cm; (15)Density: 1.593 g/cm3; (16)Flash Point: 196.1 °C; (17)Enthalpy of Vaporization: 62.55 kJ/mol; (18)Boiling Point: 400.1 °C at 760 mmHg; (19)Vapour Pressure: 3.02E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1)c2cc(Cl)cc(Cl)c2
(2)Std. InChI: InChI=1S/C12H4Cl6/c13-6-1-5(2-7(14)3-6)10-8(15)4-9(16)11(17)12(10)18/h1-4H
(3)Std. InChIKey: UNPTZXSJGZTGJJ-UHFFFAOYSA-N