Basic Information | Post buying leads | Suppliers |
Name |
[1,1'-Biphenyl]-4-ol,3,3',4',5-tetrachloro- |
EINECS | N/A |
CAS No. | 111810-41-4 | Density | 1.532 g/cm3 |
PSA | 20.23000 | LogP | 5.67280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H6Cl4O | Boiling Point | 385.1 °C at 760 mmHg |
Molecular Weight | 307.991 | Flash Point | 186.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,3',4',5-Tetrachloro-4-biphenylol;4-Hydroxy-3,3',4',5-tetrachlorobiphenyl;4-Hydroxy-3,5,3',4'-tetrachlorobiphenyl;4-OH-PCB 79;4'-Hydroxy-3,3',4,5'-tetrachlorobiphenyl; |
This chemical is called [1,1'-Biphenyl]-4-ol,3,3',4',5-tetrachloro-, and it can also be named as 4-Hydroxy-3,3',4',5-tetrachlorobiphenyl. The molecular formula of this chemical is C12H6Cl4O. The CAS registry number of this chemical is 111810-41-4. Additionally, its systematic name is 3,3',4',5-Tetrachlorobiphenyl-4-ol.
Other characteristics of the [1,1'-Biphenyl]-4-ol,3,3',4',5-tetrachloro- can be summarised as followings: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.22; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 5309.5; (6)ACD/BCF (pH 7.4): 510.39; (7)ACD/KOC (pH 5.5): 15563; (8)ACD/KOC (pH 7.4): 1496.04; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 72.3 cm3; (15)Molar Volume: 200.9 cm3; (16)Polarizability: 28.66×10-24 cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.532 g/cm3; (19)Flash Point: 186.7 °C; (20)Enthalpy of Vaporization: 65.87 kJ/mol; (21)Boiling Point: 385.1 °C at 760 mmHg; (22)Vapour Pressure: 1.76E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)cc2Cl
2.InChI: InChI=1/C12H6Cl4O/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5,17H
3.InChIKey: RQGVZEFZWFEKQR-UHFFFAOYAI