1,1'-Biphenyl,2,2',3,4,4',5,6,6'-octachloro- supplier

Name
2,2',3,4,4',5,6,6'-OCTACHLOROBIPHENYL
EINECS
CAS No. 74472-52-9
Density 1.716 g/cm³
Solubility
Melting Point 150.67°C (estimate)
Formula C₁₂H₂Cl₈
Boiling Point 417.4 °C at 760 mmHg
Molecular Weight 429.772
Flash Point 202.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2',3,4,4',5,6,6'-Octachlorobiphenyl;2,3,4,5,6,2',4',6'-Octachlorobiphenyl;CB 204;PCB 204;biphenyl, 2,2',3,4,4',5,6,6'-octachloro-;
PSA 0.00000
LogP 8.58080

1,1'-Biphenyl,2,2',3,4,4',5,6,6'-octachloro- Specification

The 1,1'-Biphenyl,2,2',3,4,4',5,6,6'-octachloro-, with the CAS registry number 74472-52-9, is also known as 2,2',3,4,4',5,6,6'-Octachloro-1,1'-biphenyl. This chemical's molecular formula is C₁₂H₂Cl₈ and molecular weight is 429.77. What's more, its systematic name is 2,2',3,4,4',5,6,6'-octachlorobiphenyl.

Physical properties of 1,1'-Biphenyl,2,2',3,4,4',5,6,6'-octachloro- are: (1)ACD/LogP: 7.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.6; (4)ACD/LogD (pH 7.4): 7.6; (5)ACD/BCF (pH 5.5): 352673.88; (6)ACD/BCF (pH 7.4): 352673.88; (7)ACD/KOC (pH 5.5): 325374.09; (8)ACD/KOC (pH 7.4): 325374.09; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 0 Å²; (11)Index of Refraction: 1.638; (12)Molar Refractivity: 90 cm³; (13)Molar Volume: 250.3 cm³; (14)Polarizability: 35.68×10^-24 cm³; (15)Surface Tension: 50.5 dyne/cm; (16)Density: 1.716 g/cm³; (17)Flash Point: 202.6 °C; (18)Enthalpy of Vaporization: 64.48 kJ/mol; (19)Boiling Point: 417.4 °C at 760 mmHg; (20)Vapour Pressure: 8.61E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)c2c(Cl)cc(Cl)cc2Cl
(2)InChI: InChI=1/C12H2Cl8/c13-3-1-4(14)6(5(15)2-3)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H
(3)InChIKey: JDZUWXRNKHXZFE-UHFFFAOYAD

Product Name

2,2',3,4,4',5,6,6'-OCTACHLOROBIPHENYL

1,1'-Biphenyl,2,2',3,4,4',5,6,6'-octachloro- Specification

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