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32690-93-0

Basic Information
CAS No.: 32690-93-0
Name: 2,4,4',5-TETRACHLOROBIPHENYL
Article Data: 3
Molecular Structure:
Molecular Structure of 32690-93-0 (2,4,4',5-TETRACHLOROBIPHENYL)
Formula: C12H6Cl4
Molecular Weight: 291.992
Synonyms: Biphenyl,2,4,4',5-tetrachloro- (8CI);2,4,4',5-Tetrachloro-1,1'-biphenyl;2,4,4',5-Tetrachlorobiphenyl;2,4,5,4'-Tetrachlorobiphenyl;PCB 74;
Density: 1.441 g/cm3
Melting Point: 125°C
Boiling Point: 358.4 °C at 760 mmHg
Flash Point: 171.9 °C
Solubility: 30.64ug/L(20 oC)
PSA: 0.00000
LogP: 5.96720
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Specification

The 1,1'-Biphenyl,2,4,4',5-tetrachloro-, with the CAS registry number 32690-93-0, is also known as 2,4,4',5-Tetrachlorobiphenyl. This chemical's molecular formula is C12H6Cl4 and molecular weight is 291.99. What's more, its systematic name is 1,2,4-trichloro-5-(4-chlorophenyl)benzene. 

Physical properties of 1,1'-Biphenyl,2,4,4',5-tetrachloro- are: (1)ACD/LogP: 5.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/BCF (pH 5.5): 20459.47; (5)ACD/KOC (pH 5.5): 42395.97; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 70.42 cm3; (9)Molar Volume: 202.5 cm3; (10)Polarizability: 27.91×10-24cm3; (11)Surface Tension: 44.8 dyne/cm; (12)Density: 1.441 g/cm3; (13)Flash Point: 171.9 °C; (14)Enthalpy of Vaporization: 58.01 kJ/mol; (15)Boiling Point: 358.4 °C at 760 mmHg; (16)Vapour Pressure: 5.28E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl
(2)InChI: InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)9-5-11(15)12(16)6-10(9)14/h1-6H
(3)InChIKey: TULCXSBAPHCWCF-UHFFFAOYSA-N