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70362-47-9

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Basic Information
CAS No.: 70362-47-9
Name: 2,2',4,5-TETRACHLOROBIPHENYL
Article Data: 1
Molecular Structure:
Molecular Structure of 70362-47-9 (2,2',4,5-TETRACHLOROBIPHENYL)
Formula: C12H6Cl4
Molecular Weight: 291.992
Synonyms: 2,2',4,5-Tetrachlorobiphenyl;2,4,5,2'-Tetrachlorobiphenyl;PCB 48;
Density: 1.441g/cm3
Melting Point: 65.9°C
Boiling Point: 344.8 °C at 760 mmHg
Flash Point: 161.9 °C
Solubility: 16.44ug/L(25 oC)
PSA: 0.00000
LogP: 5.96720
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Specification

The 1,1'-Biphenyl,2,2',4,5-tetrachloro-, with CAS registry number 70362-47-9, has the systematic name of 2,2',4,5-tetrachlorobiphenyl. And its IUPAC name is 1,2,4-trichloro-5-(2-chlorophenyl)benzene. What's more, the chemical formula of this chemical is C12H6Cl4.

Physical properties of 1,1'-Biphenyl,2,2',4,5-tetrachloro-: (1)ACD/LogP: 5.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.88; (4)ACD/LogD (pH 7.4): 5.88; (5)ACD/BCF (pH 5.5): 17418.29; (6)ACD/BCF (pH 7.4): 17418.29; (7)ACD/KOC (pH 5.5): 37783.19; (8)ACD/KOC (pH 7.4): 37783.19; (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: 161.9 °C; (20)Enthalpy of Vaporization: 56.56 kJ/mol; (21)Boiling Point: 344.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000128 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c1ccccc1Cl)c(Cl)cc2Cl
(2)InChI: InChI=1/C12H6Cl4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H
(3)InChIKey: XBTHILIDLBPRPM-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H6Cl4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H
(5)Std. InChIKey: XBTHILIDLBPRPM-UHFFFAOYSA-N