Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3,3',4,5'-Tetrachlorobiphenyl |
EINECS | N/A |
CAS No. | 41464-48-6 | Density | 1.441 g/cm3 |
PSA | 0.00000 | LogP | 5.96720 |
Solubility | N/A | Melting Point |
106.53°C (estimate) |
Formula | C12H6Cl4 | Boiling Point | 381.8 °C at 760 mmHg |
Molecular Weight | 291.992 | Flash Point | 189.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
PCB 79; |
Article Data | 2 |
The CAS registry number of 1,1'-Biphenyl,3,3',4,5'-tetrachloro- is 41464-48-6. Its systematic name is 3,3',4,5'-tetrachlorobiphenyl. In addition, the molecular formula is C12H6Cl4 and the molecular weight is 291.99. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1,1'-Biphenyl,3,3',4,5'-tetrachloro- are: (1)ACD/LogP: 6.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.13; (4)ACD/LogD (pH 7.4): 6.13; (5)ACD/BCF (pH 5.5): 26874.88; (6)ACD/BCF (pH 7.4): 26874.88; (7)ACD/KOC (pH 5.5): 51536.09; (8)ACD/KOC (pH 7.4): 51536.09; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.612; (11)Molar Refractivity: 70.42 cm3; (12)Molar Volume: 202.5 cm3; (13)Polarizability: 27.91 ×10-24cm3; (14)Surface Tension: 44.8 dyne/cm; (15)Density: 1.441 g/cm3; (16)Flash Point: 189.2 °C; (17)Enthalpy of Vaporization: 60.55 kJ/mol; (18)Boiling Point: 381.8 °C at 760 mmHg; (19)Vapour Pressure: 1.08E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1cc(Cl)cc(Cl)c1)cc2Cl
(2)Std. InChI: InChI=1S/C12H6Cl4/c13-9-3-8(4-10(14)6-9)7-1-2-11(15)12(16)5-7/h1-6H
(3)Std. InChIKey: QLCTXEMDCZGPCG-UHFFFAOYSA-N