2,2',3,3',4,5'-Hexachlorobiphenyl supplier

Name
2,2',3,3',4,5'-HEXACHLOROBIPHENYL
EINECS
CAS No. 52663-66-8
Article Data1
CAS DataBase
Density 1.593 g/cm³
Solubility
Melting Point 115.76°C (estimate)
Formula C₁₂H₄Cl₆
Boiling Point 402.9 °C at 760 mmHg
Molecular Weight 360.882
Flash Point 198.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2',3,3',4,5'-Hexachlorobiphenyl;2,3,4-2',3',5'-Hexachlorobiphenyl;PCB 130;
PSA 0.00000
LogP 7.27400

2,2',3,3',4,5'-Hexachlorobiphenyl Specification

The CAS register number of 1,1'-Biphenyl,2,2',3,3',4,5'-hexachloro- is 52663-66-8. It also can be called as 2,3,4-2',3',5'-Hexachlorobiphenyl and the systematic name about this chemical is 2,2',3,3',4,5'-hexachlorobiphenyl. The molecular formula about this chemical is C₁₂H₄Cl₆ and the molecular weight is 360.88.

Physical properties about 1,1'-Biphenyl,2,2',3,3',4,5'-hexachloro- are: (1)ACD/LogP: 6.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.78; (4)ACD/LogD (pH 7.4): 6.78; (5)ACD/BCF (pH 5.5): 83236.69; (6)ACD/BCF (pH 7.4): 83236.69; (7)ACD/KOC (pH 5.5): 115755.31; (8)ACD/KOC (pH 7.4): 115755.31 ; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.626; (11)Molar Refractivity: 80.21 cm³; (12)Molar Volume: 226.4 cm³; (13)Polarizability: 31.79x10^-24cm³; (14)Surface Tension: 47.9 dyne/cm; (15)Density: 1.593 g/cm³; (16)Flash Point: 198.2 °C; (17)Enthalpy of Vaporization: 62.87 kJ/mol; (18)Boiling Point: 402.9 °C at 760 mmHg; (19)Vapour Pressure: 2.46E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1cc(Cl)cc(Cl)c1Cl)c(Cl)c2Cl
(2)Std. InChI: InChI=1S/C12H4Cl6/c13-5-3-7(10(16)9(15)4-5)6-1-2-8(14)12(18)11(6)17/h1-4H
(3)Std. InChIKey: YFSLABAYQDPWPF-UHFFFAOYSA-N

Product Name

2,2',3,3',4,5'-HEXACHLOROBIPHENYL

2,2',3,3',4,5'-Hexachlorobiphenyl Specification

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