1,1'-Biphenyl,2,2',4,6,6'-pentachloro- supplier

Name
2,2',4,6,6'-PENTACHLOROBIPHENYL
EINECS
CAS No. 56558-16-8
Article Data1
CAS DataBase
Density 1.522 g/cm³
Solubility 15.57ug/L(25 oC)
Melting Point 85°C
Formula C₁₂H₅Cl₅
Boiling Point 341.6 °C at 760 mmHg
Molecular Weight 326.437
Flash Point 156.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2',4,6,6'-Pentachlorobiphenyl;2,4,6,2',6'-Pentachlorobiphenyl;PCB 104;
PSA 0.00000
LogP 6.62060

1,1'-Biphenyl,2,2',4,6,6'-pentachloro- Specification

The 1,1'-Biphenyl,2,2',4,6,6'-pentachloro-, with CAS registry number 56558-16-8, has the systematic name of 2,2',4,6,6'-pentachlorobiphenyl. Besides this, it is also called 2,2',4,6,6'-Pentachloro-1,1'-biphenyl. And the chemical formula of this chemical is C₁₂H₅Cl₅.

Physical properties of 1,1'-Biphenyl,2,2',4,6,6'-pentachloro-: (1)ACD/LogP: 6.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.51; (4)ACD/LogD (pH 7.4): 6.51; (5)ACD/BCF (pH 5.5): 52037.59; (6)ACD/BCF (pH 7.4): 52037.59; (7)ACD/KOC (pH 5.5): 82703.13; (8)ACD/KOC (pH 7.4): 82703.13; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 75.31 cm³; (15)Molar Volume: 214.4 cm³; (16)Polarizability: 29.85×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.522 g/cm³; (19)Flash Point: 156.1 °C; (20)Enthalpy of Vaporization: 56.22 kJ/mol; (21)Boiling Point: 341.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000157 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Cl)cc(Cl)c2c1c(Cl)cccc1Cl
(2)InChI: InChI=1/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H
(3)InChIKey: MTCPZNVSDFCBBE-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H
(5)Std. InChIKey: MTCPZNVSDFCBBE-UHFFFAOYSA-N

Product Name

2,2',4,6,6'-PENTACHLOROBIPHENYL

1,1'-Biphenyl,2,2',4,6,6'-pentachloro- Specification

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