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

Name
2,2',3,3',4,4',5,5',6-NONACHLOROBIPHENYL
EINECS
CAS No. 40186-72-9
Article Data1
CAS DataBase
Density 1.769 g/cm³
Solubility -10.26
Melting Point
Formula C₁₂HCl₉
Boiling Point 458.7 °C at 760 mmHg
Molecular Weight 464.217
Flash Point 230.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2',3,3',4,4',5,5',6-Nonachloro-1,1'-biphenyl;2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl;2,3,4,5,6,2',3',4',5'-Nonachlorobiphenyl;Biphenyl, 2,2',3,3',4,4',5,5',6-nonachloro-;PCB NO 206;
PSA 0.00000
LogP 9.23420

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

The CAS register number of 1,1'-Biphenyl,2,2',3,3',4,4',5,5',6-nonachloro- is 40186-72-9. It also can be called as 2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl and the IUPAC name about this chemical is 1,2,3,4,5-pentachloro-6-(2,3,4,5-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',4,4',5,5',6-nonachloro- are: (1)ACD/LogP: 7.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.79; (4)ACD/LogD (pH 7.4): 7.79; (5)ACD/BCF (pH 5.5): 494508.03; (6)ACD/BCF (pH 7.4): 494508.03; (7)ACD/KOC (pH 5.5): 414439.09; (8)ACD/KOC (pH 7.4): 414439.09 ; (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: 230.2 °C; (17)Enthalpy of Vaporization: 69.14 kJ/mol; (18)Boiling Point: 458.7 °C at 760 mmHg; (19)Vapour Pressure: 3.68E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl
(2)Std. InChI: InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H
(3)Std. InChIKey: JFIMDKGRGPNPRQ-UHFFFAOYSA-N

Product Name

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

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

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