2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl supplier

Name
2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl
EINECS
CAS No. 52663-77-1
Article Data2
CAS DataBase
Density 1.769 g/cm³
Solubility 0.01801ug/L(25 oC)
Melting Point 180.5°C
Formula C₁₂HCl₉
Boiling Point 443.4 °C at 760 mmHg
Molecular Weight 464.217
Flash Point 218.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl;2,3,4,5,6,2',3',5',6'-Nonachlorobiphenyl;PCB 208;2,2',3,3',4,5,5',6,6'-Nonachloro-1,1'-biphenyl;
PSA 0.00000
LogP 9.23420

2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl Specification

The CAS register number of 1,1'-Biphenyl,2,2',3,3',4,5,5',6,6'-nonachloro- is 52663-77-1. It also can be called as 2,2',3,3',4,5,5',6,6'-Nonachloro-1,1'-biphenyl and the IUPAC name about this chemical is 1,2,3,4,5-pentachloro-6-(2,3,5,6-tetrachlorophenyl)benzene. The molecular formula about this chemical is C₁₂HCl₉ and the molecular weight is 464.21.

Physical properties about 1,1'-Biphenyl,2,2',3,3',4,5,5',6,6'-nonachloro- are: (1)ACD/LogP: 7.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.76; (4)ACD/LogD (pH 7.4): 7.76; (5)ACD/BCF (pH 5.5): 461649.5; (6)ACD/BCF (pH 7.4): 461649.5; (7)ACD/KOC (pH 5.5): 394535.88; (8)ACD/KOC (pH 7.4): 394535.88; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.643; (11)Molar Refractivity: 94.9 cm³; (12)Molar Volume: 262.2 cm³; (13)Polarizability: 37.62x10^-24cm³; (14)Surface Tension: 51.7 dyne/cm; (15)Density: 1.769 g/cm³; (16)Flash Point: 218.9 °C; (17)Enthalpy of Vaporization: 67.41 kJ/mol; (18)Boiling Point: 443.4 °C at 760 mmHg; (19)Vapour Pressure: 1.21E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl
(2)Std. InChI: InChI=1S/C12HCl9/c13-2-1-3(14)7(16)4(6(2)15)5-8(17)10(19)12(21)11(20)9(5)18/h1H
(3)Std. InChIKey: XIFFTDRFWYFAPO-UHFFFAOYSA-N

Product Name

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

2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl Specification

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