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32598-12-2

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Basic Information
CAS No.: 32598-12-2
Name: 2,4,4',6-TETRACHLOROBIPHENYL
Article Data: 2
Molecular Structure:
Molecular Structure of 32598-12-2 (2,4,4',6-TETRACHLOROBIPHENYL)
Formula: C12H6Cl4
Molecular Weight: 291.992
Synonyms: 4,2',4',6'-Tetrachlorobiphenyl;PCB 75;
Density: 1.441 g/cm3
Melting Point: 65.0 °C
Boiling Point: 341.8 °C at 760 mmHg
Flash Point: 159.6 °C
Solubility: 91.1ug/L(25 oC)
PSA: 0.00000
LogP: 5.96720
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Specification

The CAS registry number of 1,1'-Biphenyl,2,4,4',6-tetrachloro- is 32598-12-2. In addition, the molecular formula is C12H6Cl4 and the molecular weight is 291.99. Its systematic name is 2,4,4',6-tetrachlorobiphenyl. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1,1'-Biphenyl,2,4,4',6-tetrachloro- are: (1)ACD/LogP: 6.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.11; (4)ACD/LogD (pH 7.4): 6.11; (5)ACD/BCF (pH 5.5): 25902.35; (6)ACD/BCF (pH 7.4): 25902.35; (7)ACD/KOC (pH 5.5): 50194.15; (8)ACD/KOC (pH 7.4): 50194.15; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.612; (11)Molar Refractivity: 70.42 cm3; (12)Molar Volume: 202.5 cm3; (13)Polarizability: 27.91 ×10-24cm3; (14)Surface Tension: 44.8 dyne/cm; (15)Density: 1.441 g/cm3; (16)Flash Point: 159.6 °C; (17)Enthalpy of Vaporization: 56.23 kJ/mol; (18)Boiling Point: 341.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000156 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Cl)cc(Cl)c2c1ccc(Cl)cc1
(2)Std. InChI: InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)12-10(15)5-9(14)6-11(12)16/h1-6H
(3)Std. InChIKey: RZFZBHKDGHISSH-UHFFFAOYSA-N