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Cas Database |
| Name |
1,1'-Biphenyl,2,2',3,4',5',6-hexachloro- |
EINECS | N/A |
| CAS No. | 38380-04-0 | Density | 1.593 g/cm3 |
| PSA | 0.00000 | LogP | 7.27400 |
| Solubility | N/A | Melting Point |
115.76°C (estimate) |
| Formula | C12H4Cl6 | Boiling Point | 383.5 °C at 760 mmHg |
| Molecular Weight | 360.882 | Flash Point | 183.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 35-60-61 | Risk Codes | 33-50/53 |
| Molecular Structure |
|
Hazard Symbols | N |
| Synonyms |
(?à)-PCB 149;2,2',3,4',5',6-Hexachlorobiphenyl;2,2',4',5,5',6-Hexachlorobiphenyl;2,3,6,2',4',5'-Hexachlorobiphenyl;2,4,5,2',3',6'-Hexachlorobiphenyl;PCB 149;CB 149; |
Article Data | 2 |
1,1'-Biphenyl,2,2',3,4',5',6-hexachloro- Specification
The 1,1'-Biphenyl,2,2',3,4',5',6-hexachloro- is an organic compound with the formula C12H4Cl6. The IUPAC name of this chemical is 1,2,4-trichloro-3-(2,4,5-trichlorophenyl)benzene. With the CAS registry number 38380-04-0, it is also named as 2,2',3,4',5',6-Hexachloro-1,1'-biphenyl.
Physical properties about 1,1'-Biphenyl,2,2',3,4',5',6-hexachloro- are: (1)ACD/LogP: 6.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.74; (4)ACD/LogD (pH 7.4): 6.74; (5)ACD/BCF (pH 5.5): 78292.33; (6)ACD/BCF (pH 7.4): 78292.33; (7)ACD/KOC (pH 5.5): 110790.92; (8)ACD/KOC (pH 7.4): 110790.92; (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: 31.79×10-24cm3; (14)Surface Tension: 47.9 dyne/cm; (15)Density: 1.593 g/cm3; (16)Flash Point: 183.8 °C; (17)Enthalpy of Vaporization: 60.73 kJ/mol; (18)Boiling Point: 383.5 °C at 760 mmHg; (19)Vapour Pressure: 9.64E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(c1cc(Cl)c(Cl)cc1Cl)c(Cl)ccc2Cl
(2)InChI: InChI=1/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H
(3)InChIKey: LKHLFUVHHXCNJH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H
(5)Std. InChIKey: LKHLFUVHHXCNJH-UHFFFAOYSA-N
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