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| Name |
1,1'-Biphenyl,2,3,4,4',6-pentachloro- |
EINECS | N/A |
| CAS No. | 74472-38-1 | Density | 1.522 g/cm3 |
| PSA | 0.00000 | LogP | 6.62060 |
| Solubility | N/A | Melting Point |
95.86°C (estimate) |
| Formula | C12H5Cl5 | Boiling Point | 370.1 °C at 760 mmHg |
| Molecular Weight | 326.43 | Flash Point | 177.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,3,4,4',6-Pentachlorobiphenyl;PCB 115;1,1'-biphenyl, 2,3,4,4',6-pentachloro-;biphenyl, 2,3,4,4',6-pentachloro-;2,3,4,4',6-Pentachloro-1,1'-biphenyl; |
1,1'-Biphenyl,2,3,4,4',6-pentachloro- Specification
The 1,1'-Biphenyl,2,3,4,4',6-pentachloro-, with the CAS registry number 74472-38-1, is also known as 2,3,4,4',6-Pentachloro-1,1'-biphenyl. This chemical's molecular formula is C12H5Cl5 and molecular weight is 326.43. What's more, its systematic name is 2,3,4,4',6-pentachlorobiphenyl.
Physical properties of 1,1'-Biphenyl,2,3,4,4',6-pentachloro- are: (1)ACD/LogP: 6.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.35; (4)ACD/LogD (pH 7.4): 6.35; (5)ACD/BCF (pH 5.5): 39633.64; (6)ACD/BCF (pH 7.4): 39633.64; (7)ACD/KOC (pH 5.5): 68057.76; (8)ACD/KOC (pH 7.4): 68057.76; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 0 Å2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 75.31 cm3; (13)Molar Volume: 214.4 cm3; (14)Polarizability: 29.85×10-24 cm3; (15)Surface Tension: 46.4 dyne/cm; (16)Density: 1.522 g/cm3; (17)Flash Point: 177.2 °C; (18)Enthalpy of Vaporization: 59.27 kJ/mol; (19)Boiling Point: 370.1 °C at 760 mmHg; (20)Vapour Pressure: 2.42E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1)c2ccc(Cl)cc2
(2)InChI: InChI=1/C12H5Cl5/c13-7-3-1-6(2-4-7)10-8(14)5-9(15)11(16)12(10)17/h1-5H
(3)InChIKey: IOVARPVVZDOPGQ-UHFFFAOYAF
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