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70424-67-8

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Basic Information
CAS No.: 70424-67-8
Name: 2,3,3',5-TETRACHLOROBIPHENYL
Article Data: 1
Molecular Structure:
Molecular Structure of 70424-67-8 (2,3,3',5-TETRACHLOROBIPHENYL)
Formula: C12H6Cl4
Molecular Weight: 291.992
Synonyms: 2,3,3',5-Tetrachlorobiphenyl;PCB 57;
Density: 1.441g/cm3
Boiling Point: 364.6 °C at 760 mmHg
Flash Point: 176.5 °C
PSA: 0.00000
LogP: 5.96720
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Specification

The 1,1'-Biphenyl,2,3,3',5-tetrachloro-, with CAS registry number 70424-67-8, has the systematic name of 2,3,3',5-tetrachlorobiphenyl. And its IUPAC name is 1,2,5-trichloro-3-(3-chlorophenyl)benzene. The chemical formula of this chemical is C12H6Cl4.

Physical properties of 1,1'-Biphenyl,2,3,3',5-tetrachloro-: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.97; (5)ACD/BCF (pH 5.5): 20154.07; (6)ACD/BCF (pH 7.4): 20154.07; (7)ACD/KOC (pH 5.5): 41942; (8)ACD/KOC (pH 7.4): 41942; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 70.42 cm3; (15)Molar Volume: 202.5 cm3; (16)Polarizability: 27.91×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.441 g/cm3; (19)Flash Point: 176.5 °C; (20)Enthalpy of Vaporization: 58.68 kJ/mol; (21)Boiling Point: 364.6 °C at 760 mmHg; (22)Vapour Pressure: 3.48E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(c1cccc(Cl)c1)cc(Cl)cc2Cl
(2)InChI: InChI=1/C12H6Cl4/c13-8-3-1-2-7(4-8)10-5-9(14)6-11(15)12(10)16/h1-6H
(3)InChIKey: DHDBTLFALXRTLB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H6Cl4/c13-8-3-1-2-7(4-8)10-5-9(14)6-11(15)12(10)16/h1-6H
(5)Std. InChIKey: DHDBTLFALXRTLB-UHFFFAOYSA-N